# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8a67aaa4-eb74-431e-8040-d508bc4ee998/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 La2Be2GeO7 / P-42_1m (113) / materials id 19926](https://mdr.nims.go.jp/datasets/171e9d3d-98d1-4564-949a-12cd10aac07c)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "P-42_1m"  number: 113  Hall_symbol: "P -4 2ab"supercell_matrix:- [   1,   0,   0 ]- [   0,   1,   0 ]- [   0,   0,   2 ]primitive_cell:  lattice:  - [     7.650561400000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     7.650561400000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.933337180000000 ] # c  points:  - symbol: Be # 1    coordinates: [  0.866506150000000,  0.366506150000000,  0.038615640000000 ]    mass: 9.012182  - symbol: Be # 2    coordinates: [  0.633493850000000,  0.866506150000000,  0.961384360000000 ]    mass: 9.012182  - symbol: Be # 3    coordinates: [  0.133493850000000,  0.633493850000000,  0.038615640000000 ]    mass: 9.012182  - symbol: Be # 4    coordinates: [  0.366506150000000,  0.133493850000000,  0.961384360000000 ]    mass: 9.012182  - symbol: O  # 5    coordinates: [  0.825951090000000,  0.922556810000000,  0.799560660000000 ]    mass: 15.999400  - symbol: O  # 6    coordinates: [  0.922556810000000,  0.174048910000000,  0.200439340000000 ]    mass: 15.999400  - symbol: O  # 7    coordinates: [  0.325951090000000,  0.577443190000000,  0.200439340000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.674048910000000,  0.422556810000000,  0.200439340000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.422556810000000,  0.325951090000000,  0.799560660000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.577443190000000,  0.674048910000000,  0.799560660000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.500000000000000,  0.000000000000000,  0.832567850000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.000000000000000,  0.500000000000000,  0.167432150000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.357820290000000,  0.142179710000000,  0.283041110000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.142179710000000,  0.642179710000000,  0.716958890000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.857820290000000,  0.357820290000000,  0.716958890000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.642179710000000,  0.857820290000000,  0.283041110000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.174048910000000,  0.077443190000000,  0.799560660000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.077443190000000,  0.825951090000000,  0.200439340000000 ]    mass: 15.999400  - symbol: Ge # 19    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 72.640000  - symbol: Ge # 20    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 72.640000  - symbol: La # 21    coordinates: [  0.839591390000000,  0.660408610000000,  0.502198310000000 ]    mass: 138.905470  - symbol: La # 22    coordinates: [  0.660408610000000,  0.160408610000000,  0.497801690000000 ]    mass: 138.905470  - symbol: La # 23    coordinates: [  0.339591390000000,  0.839591390000000,  0.497801690000000 ]    mass: 138.905470  - symbol: La # 24    coordinates: [  0.160408610000000,  0.339591390000000,  0.502198310000000 ]    mass: 138.905470  reciprocal_lattice: # without 2pi  - [     0.130709362060672,     0.000000000000000,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.130709362060672,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.202702544649502 ] # c*unit_cell:  lattice:  - [     7.650561400000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     7.650561400000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     4.933337180000000 ] # c  points:  - symbol: Be # 1    coordinates: [  0.866506150000000,  0.366506150000000,  0.038615640000000 ]    mass: 9.012182    reduced_to: 1  - symbol: Be # 2    coordinates: [  0.633493850000000,  0.866506150000000,  0.961384360000000 ]    mass: 9.012182    reduced_to: 2  - symbol: Be # 3    coordinates: [  0.133493850000000,  0.633493850000000,  0.038615640000000 ]    mass: 9.012182    reduced_to: 3  - symbol: Be # 4    coordinates: [  0.366506150000000,  0.133493850000000,  0.961384360000000 ]    mass: 9.012182    reduced_to: 4  - symbol: O  # 5    coordinates: [  0.825951090000000,  0.922556810000000,  0.799560660000000 ]    mass: 15.999400    reduced_to: 5  - symbol: O  # 6    coordinates: [  0.922556810000000,  0.174048910000000,  0.200439340000000 ]    mass: 15.999400    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.325951090000000,  0.577443190000000,  0.200439340000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.674048910000000,  0.422556810000000,  0.200439340000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.422556810000000,  0.325951090000000,  0.799560660000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.577443190000000,  0.674048910000000,  0.799560660000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.500000000000000,  0.000000000000000,  0.832567850000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.000000000000000,  0.500000000000000,  0.167432150000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.357820290000000,  0.142179710000000,  0.283041110000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.142179710000000,  0.642179710000000,  0.716958890000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.857820290000000,  0.357820290000000,  0.716958890000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.642179710000000,  0.857820290000000,  0.283041110000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.174048910000000,  0.077443190000000,  0.799560660000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.077443190000000,  0.825951090000000,  0.200439340000000 ]    mass: 15.999400    reduced_to: 18  - symbol: Ge # 19    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 19  - symbol: Ge # 20    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 20  - symbol: La # 21    coordinates: [  0.839591390000000,  0.660408610000000,  0.502198310000000 ]    mass: 138.905470    reduced_to: 21  - symbol: La # 22    coordinates: [  0.660408610000000,  0.160408610000000,  0.497801690000000 ]    mass: 138.905470    reduced_to: 22  - symbol: La # 23    coordinates: [  0.339591390000000,  0.839591390000000,  0.497801690000000 ]    mass: 138.905470    reduced_to: 23  - symbol: La # 24    coordinates: [  0.160408610000000,  0.339591390000000,  0.502198310000000 ]    mass: 138.905470    reduced_to: 24supercell:  lattice:  - [     7.650561400000000,     0.000000000000000,     0.000000000000000 ] # a  - [     0.000000000000000,     7.650561400000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,     9.866674359999999 ] # c  points:  - symbol: Be # 1    coordinates: [  0.866506150000000,  0.366506150000000,  0.019307820000000 ]    mass: 9.012182    reduced_to: 1  - symbol: Be # 2    coordinates: [  0.866506150000000,  0.366506150000000,  0.519307820000000 ]    mass: 9.012182    reduced_to: 1  - symbol: Be # 3    coordinates: [  0.633493850000000,  0.866506150000000,  0.480692180000000 ]    mass: 9.012182    reduced_to: 3  - symbol: Be # 4    coordinates: [  0.633493850000000,  0.866506150000000,  0.980692180000000 ]    mass: 9.012182    reduced_to: 3  - symbol: Be # 5    coordinates: [  0.133493850000000,  0.633493850000000,  0.019307820000000 ]    mass: 9.012182    reduced_to: 5  - symbol: Be # 6    coordinates: [  0.133493850000000,  0.633493850000000,  0.519307820000000 ]    mass: 9.012182    reduced_to: 5  - symbol: Be # 7    coordinates: [  0.366506150000000,  0.133493850000000,  0.480692180000000 ]    mass: 9.012182    reduced_to: 7  - symbol: Be # 8    coordinates: [  0.366506150000000,  0.133493850000000,  0.980692180000000 ]    mass: 9.012182    reduced_to: 7  - symbol: O  # 9    coordinates: [  0.825951090000000,  0.922556810000000,  0.399780330000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.825951090000000,  0.922556810000000,  0.899780330000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 11    coordinates: [  0.922556810000000,  0.174048910000000,  0.100219670000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.922556810000000,  0.174048910000000,  0.600219670000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 13    coordinates: [  0.325951090000000,  0.577443190000000,  0.100219670000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.325951090000000,  0.577443190000000,  0.600219670000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 15    coordinates: [  0.674048910000000,  0.422556810000000,  0.100219670000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.674048910000000,  0.422556810000000,  0.600219670000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 17    coordinates: [  0.422556810000000,  0.325951090000000,  0.399780330000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.422556810000000,  0.325951090000000,  0.899780330000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 19    coordinates: [  0.577443190000000,  0.674048910000000,  0.399780330000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 20    coordinates: [  0.577443190000000,  0.674048910000000,  0.899780330000000 ]    mass: 15.999400    reduced_to: 19  - symbol: O  # 21    coordinates: [  0.500000000000000,  0.000000000000000,  0.416283925000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 22    coordinates: [  0.500000000000000,  0.000000000000000,  0.916283925000000 ]    mass: 15.999400    reduced_to: 21  - symbol: O  # 23    coordinates: [  0.000000000000000,  0.500000000000000,  0.083716075000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 24    coordinates: [  0.000000000000000,  0.500000000000000,  0.583716075000000 ]    mass: 15.999400    reduced_to: 23  - symbol: O  # 25    coordinates: [  0.357820290000000,  0.142179710000000,  0.141520555000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.357820290000000,  0.142179710000000,  0.641520555000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 27    coordinates: [  0.142179710000000,  0.642179710000000,  0.358479445000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 28    coordinates: [  0.142179710000000,  0.642179710000000,  0.858479445000000 ]    mass: 15.999400    reduced_to: 27  - symbol: O  # 29    coordinates: [  0.857820290000000,  0.357820290000000,  0.358479445000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.857820290000000,  0.357820290000000,  0.858479445000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 31    coordinates: [  0.642179710000000,  0.857820290000000,  0.141520555000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 32    coordinates: [  0.642179710000000,  0.857820290000000,  0.641520555000000 ]    mass: 15.999400    reduced_to: 31  - symbol: O  # 33    coordinates: [  0.174048910000000,  0.077443190000000,  0.399780330000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.174048910000000,  0.077443190000000,  0.899780330000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.077443190000000,  0.825951090000000,  0.100219670000000 ]    mass: 15.999400    reduced_to: 35  - symbol: O  # 36    coordinates: [  0.077443190000000,  0.825951090000000,  0.600219670000000 ]    mass: 15.999400    reduced_to: 35  - symbol: Ge # 37    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 37  - symbol: Ge # 38    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 72.640000    reduced_to: 37  - symbol: Ge # 39    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 72.640000    reduced_to: 39  - symbol: Ge # 40    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 72.640000    reduced_to: 39  - symbol: La # 41    coordinates: [  0.839591390000000,  0.660408610000000,  0.251099155000000 ]    mass: 138.905470    reduced_to: 41  - symbol: La # 42    coordinates: [  0.839591390000000,  0.660408610000000,  0.751099155000000 ]    mass: 138.905470    reduced_to: 41  - symbol: La # 43    coordinates: [  0.660408610000000,  0.160408610000000,  0.248900845000000 ]    mass: 138.905470    reduced_to: 43  - symbol: La # 44    coordinates: [  0.660408610000000,  0.160408610000000,  0.748900845000000 ]    mass: 138.905470    reduced_to: 43  - symbol: La # 45    coordinates: [  0.339591390000000,  0.839591390000000,  0.248900845000000 ]    mass: 138.905470    reduced_to: 45  - symbol: La # 46    coordinates: [  0.339591390000000,  0.839591390000000,  0.748900845000000 ]    mass: 138.905470    reduced_to: 45  - symbol: La # 47    coordinates: [  0.160408610000000,  0.339591390000000,  0.251099155000000 ]    mass: 138.905470    reduced_to: 47  - symbol: La # 48    coordinates: [  0.160408610000000,  0.339591390000000,  0.751099155000000 ]    mass: 138.905470    reduced_to: 47born_effective_charge:- # 1 (Be)  - [  1.694877040000000, -0.050664500000000, -0.020190760000000 ]  - [ -0.050664500000000,  1.694877040000000, -0.020190760000000 ]  - [  0.172786440000000,  0.172786440000000,  2.079315360000000 ]- # 2 (Be)  - [  1.694877040000000,  0.050664500000000, -0.020190760000000 ]  - [  0.050664500000000,  1.694877040000000,  0.020190760000000 ]  - [  0.172786440000000, -0.172786440000000,  2.079315360000000 ]- # 3 (Be)  - [  1.694877040000000, -0.050664500000000,  0.020190760000000 ]  - [ -0.050664500000000,  1.694877040000000,  0.020190760000000 ]  - [ -0.172786440000000, -0.172786440000000,  2.079315360000000 ]- # 4 (Be)  - [  1.694877040000000,  0.050664500000000,  0.020190760000000 ]  - [  0.050664500000000,  1.694877040000000, -0.020190760000000 ]  - [ -0.172786440000000,  0.172786440000000,  2.079315360000000 ]- # 5 (O)  - [ -2.203484670000000, -0.160477620000000, -0.245485470000000 ]  - [ -0.211740390000000, -2.011961810000000, -0.267825000000000 ]  - [ -0.331938540000000, -0.259827550000000, -1.989122150000000 ]- # 6 (O)  - [ -2.011961810000000,  0.211740390000000,  0.267825000000000 ]  - [  0.160477620000000, -2.203484670000000, -0.245485470000000 ]  - [  0.259827550000000, -0.331938540000000, -1.989122150000000 ]- # 7 (O)  - [ -2.203484670000000,  0.160477620000000,  0.245485470000000 ]  - [  0.211740390000000, -2.011961810000000, -0.267825000000000 ]  - [  0.331938540000000, -0.259827550000000, -1.989122150000000 ]- # 8 (O)  - [ -2.203484670000000,  0.160477620000000, -0.245485470000000 ]  - [  0.211740390000000, -2.011961810000000,  0.267825000000000 ]  - [ -0.331938540000000,  0.259827550000000, -1.989122150000000 ]- # 9 (O)  - [ -2.011961810000000, -0.211740390000000, -0.267825000000000 ]  - [ -0.160477620000000, -2.203484670000000, -0.245485470000000 ]  - [ -0.259827550000000, -0.331938540000000, -1.989122150000000 ]- # 10 (O)  - [ -2.011961810000000, -0.211740390000000,  0.267825000000000 ]  - [ -0.160477620000000, -2.203484670000000,  0.245485470000000 ]  - [  0.259827550000000,  0.331938540000000, -1.989122150000000 ]- # 11 (O)  - [ -2.223391380000000,  0.013804900000000,  0.000000000000000 ]  - [  0.013804900000000, -2.223391380000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.283545630000000 ]- # 12 (O)  - [ -2.223391380000000, -0.013804900000000,  0.000000000000000 ]  - [ -0.013804900000000, -2.223391380000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000, -2.283545630000000 ]- # 13 (O)  - [ -2.340785400000000,  0.364368840000000,  0.037840310000000 ]  - [  0.364368840000000, -2.340785400000000, -0.037840310000000 ]  - [  0.050821190000000, -0.050821190000000, -2.342858830000000 ]- # 14 (O)  - [ -2.340785400000000, -0.364368840000000,  0.037840310000000 ]  - [ -0.364368840000000, -2.340785400000000,  0.037840310000000 ]  - [  0.050821190000000,  0.050821190000000, -2.342858830000000 ]- # 15 (O)  - [ -2.340785400000000, -0.364368840000000, -0.037840310000000 ]  - [ -0.364368840000000, -2.340785400000000, -0.037840310000000 ]  - [ -0.050821190000000, -0.050821190000000, -2.342858830000000 ]- # 16 (O)  - [ -2.340785400000000,  0.364368840000000, -0.037840310000000 ]  - [  0.364368840000000, -2.340785400000000,  0.037840310000000 ]  - [ -0.050821190000000,  0.050821190000000, -2.342858830000000 ]- # 17 (O)  - [ -2.203484670000000, -0.160477620000000,  0.245485470000000 ]  - [ -0.211740390000000, -2.011961810000000,  0.267825000000000 ]  - [  0.331938540000000,  0.259827550000000, -1.989122150000000 ]- # 18 (O)  - [ -2.011961810000000,  0.211740390000000, -0.267825000000000 ]  - [  0.160477620000000, -2.203484670000000,  0.245485470000000 ]  - [ -0.259827550000000,  0.331938540000000, -1.989122150000000 ]- # 19 (Ge)  - [  3.482160890000000,  0.106496390000000,  0.000000000000000 ]  - [ -0.106496390000000,  3.482160890000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.347637110000000 ]- # 20 (Ge)  - [  3.482160890000000, -0.106496390000000,  0.000000000000000 ]  - [  0.106496390000000,  3.482160890000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.347637110000000 ]- # 21 (La)  - [  4.231970090000000, -0.488860440000000, -0.039900660000000 ]  - [ -0.488860440000000,  4.231970090000000,  0.039900660000000 ]  - [ -0.318768140000000,  0.318768140000000,  3.709742010000000 ]- # 22 (La)  - [  4.231970090000000,  0.488860440000000, -0.039900660000000 ]  - [  0.488860440000000,  4.231970090000000, -0.039900660000000 ]  - [ -0.318768140000000, -0.318768140000000,  3.709742010000000 ]- # 23 (La)  - [  4.231970090000000,  0.488860440000000,  0.039900660000000 ]  - [  0.488860440000000,  4.231970090000000,  0.039900660000000 ]  - [  0.318768140000000,  0.318768140000000,  3.709742010000000 ]- # 24 (La)  - [  4.231970090000000, -0.488860440000000,  0.039900660000000 ]  - [ -0.488860440000000,  4.231970090000000, -0.039900660000000 ]  - [  0.318768140000000, -0.318768140000000,  3.709742010000000 ]dielectric_constant:  - [  4.009883820000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.009883820000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  3.785626890000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.1305084800000000, -0.0354881600000000, -0.0254416600000000 ]  - [   0.0000540100000000, -0.0000512300000000,  0.0003324200000000 ]  - [  -0.0004245700000000, -0.0000076700000000,  0.0001289800000000 ]  - [  -0.0016795700000000, -0.0020178200000000, -0.0006425600000000 ]  - [   0.0105299400000000,  0.0078280000000000, -0.0014315200000000 ]  - [  -0.0000559900000000, -0.0002697000000000,  0.0008477700000000 ]  - [   0.0005901800000000,  0.0000078900000000,  0.0002481800000000 ]  - [   0.0034618800000000,  0.0020168700000000, -0.0005064800000000 ]  - [   0.0006351600000000, -0.0005938700000000, -0.0002039600000000 ]  - [   0.0022214900000000,  0.0012007900000000,  0.0019262600000000 ]  - [   0.0195871900000000,  0.0013955700000000, -0.0013563600000000 ]  - [   0.0004597300000000, -0.0004832000000000, -0.0006646200000000 ]  - [  -0.0102646000000000,  0.0023274100000000,  0.0000593900000000 ]  - [  -0.0003664300000000,  0.0001892100000000, -0.0003461800000000 ]  - [   0.0145742100000000,  0.0013227100000000,  0.0025765000000000 ]  - [   0.0002557400000000,  0.0000145900000000, -0.0001712800000000 ]  - [  -0.0017580200000000, -0.0003185000000000,  0.0001538700000000 ]  - [  -0.0059108300000000, -0.0019172300000000, -0.0033435400000000 ]  - [   0.0006991000000000,  0.0006337600000000,  0.0002688100000000 ]  - [  -0.0014107100000000,  0.0046200600000000, -0.0039361100000000 ]  - [  -0.0009429900000000, -0.0005609900000000,  0.0004406000000000 ]  - [  -0.0011142500000000, -0.0004757600000000, -0.0007166400000000 ]  - [   0.0520555500000000,  0.0337736000000000,  0.0132518300000000 ]  - [   0.0003819600000000,  0.0003693400000000, -0.0004690600000000 ]  - [  -0.0042861700000000, -0.0005454700000000,  0.0010335600000000 ]  - [  -0.0003824000000000, -0.0004760100000000, -0.0002811400000000 ]  - [  -0.0006222300000000, -0.0012111700000000, -0.0017339700000000 ]  - [  -0.0026046500000000, -0.0017322900000000,  0.0039908300000000 ]  - [   0.0033357200000000,  0.0006526300000000, -0.0001510100000000 ]  - [   0.0248771300000000,  0.0004767200000000,  0.0034965400000000 ]  - [   0.0016445300000000,  0.0010161000000000,  0.0009228300000000 ]  - [  -0.0000135500000000,  0.0002656300000000, -0.0001891000000000 ]  - [  -0.0002407800000000,  0.0006476700000000, -0.0010042200000000 ]  - [  -0.0023699100000000,  0.0005980900000000,  0.0019292600000000 ]  - [  -0.0024658600000000, -0.0028027800000000, -0.0003859700000000 ]  - [   0.0000039700000000, -0.0000267000000000, -0.0003499500000000 ]  - [   0.0274322600000000, -0.0110023500000000,  0.0111697000000000 ]  - [   0.0003839100000000, -0.0000231300000000, -0.0004041800000000 ]  - [   0.0010115900000000, -0.0071274500000000, -0.0044699900000000 ]  - [  -0.0006685700000000,  0.0002863900000000,  0.0008134400000000 ]  - [  -0.0134533700000000, -0.0013223800000000,  0.0017603400000000 ]  - [  -0.0035404900000000, -0.0011706000000000,  0.0005478000000000 ]  - [  -0.0017627500000000,  0.0125987900000000, -0.0103827100000000 ]  - [   0.0001663900000000,  0.0028854400000000,  0.0052560800000000 ]  - [   0.0030665800000000, -0.0003315500000000, -0.0001849600000000 ]  - [   0.0029469300000000, -0.0001339500000000,  0.0002751600000000 ]  - [   0.0127999900000000, -0.0045253900000000,  0.0134254200000000 ]  - [   0.0036720200000000, -0.0005119300000000, -0.0060884400000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.1313254200000000,  0.0326532500000000,  0.0223251100000000 ]  - [  -0.0001003600000000,  0.0000079600000000, -0.0002872100000000 ]  - [   0.0004724300000000, -0.0000413800000000, -0.0001583700000000 ]  - [   0.0017421700000000,  0.0019821500000000,  0.0006159700000000 ]  - [  -0.0104479800000000, -0.0076744500000000,  0.0015113200000000 ]  - [   0.0000972100000000,  0.0003112300000000, -0.0008259500000000 ]  - [  -0.0006366000000000,  0.0000378800000000, -0.0002830700000000 ]  - [  -0.0035127400000000, -0.0019871600000000,  0.0004766400000000 ]  - [  -0.0006080000000000,  0.0007940500000000,  0.0003087800000000 ]  - [  -0.0021985300000000, -0.0010076100000000, -0.0018319600000000 ]  - [  -0.0193427500000000, -0.0013614400000000,  0.0012878300000000 ]  - [  -0.0002473200000000,  0.0004443600000000,  0.0005524500000000 ]  - [   0.0102430300000000, -0.0025246500000000, -0.0001755200000000 ]  - [   0.0003897100000000, -0.0003922800000000,  0.0002518600000000 ]  - [  -0.0168987700000000, -0.0004886400000000, -0.0016114800000000 ]  - [  -0.0002864700000000,  0.0001957200000000,  0.0000650400000000 ]  - [   0.0019629000000000,  0.0003391800000000, -0.0000567900000000 ]  - [   0.0061386300000000,  0.0019315900000000,  0.0034587700000000 ]  - [  -0.0008994300000000, -0.0006539300000000, -0.0001683600000000 ]  - [   0.0012079600000000, -0.0046635600000000,  0.0040435300000000 ]  - [   0.0009519700000000,  0.0005596400000000, -0.0006963100000000 ]  - [   0.0011052300000000,  0.0004903300000000,  0.0004757900000000 ]  - [  -0.0505682500000000, -0.0318054000000000, -0.0117207300000000 ]  - [  -0.0003723600000000, -0.0003702100000000,  0.0007180300000000 ]  - [   0.0043001200000000,  0.0005455900000000, -0.0010120100000000 ]  - [   0.0003843400000000,  0.0004701400000000,  0.0003321800000000 ]  - [   0.0006142800000000,  0.0012050600000000,  0.0017012100000000 ]  - [   0.0026037000000000,  0.0017056800000000, -0.0040209200000000 ]  - [  -0.0033335900000000, -0.0006399600000000,  0.0001107700000000 ]  - [  -0.0248320500000000, -0.0004267100000000, -0.0029161500000000 ]  - [  -0.0016573600000000, -0.0010111400000000, -0.0008804400000000 ]  - [  -0.0000032700000000, -0.0002553700000000,  0.0002276100000000 ]  - [   0.0002090200000000, -0.0008574200000000,  0.0011118700000000 ]  - [   0.0023653900000000, -0.0007758600000000, -0.0018268700000000 ]  - [   0.0022757900000000,  0.0028096700000000,  0.0002709200000000 ]  - [  -0.0002107900000000,  0.0000600600000000,  0.0002459800000000 ]  - [  -0.0276817600000000,  0.0111222500000000, -0.0111039600000000 ]  - [  -0.0003686600000000,  0.0000234100000000,  0.0004014100000000 ]  - [  -0.0010761800000000,  0.0071328500000000,  0.0045083200000000 ]  - [   0.0006634300000000, -0.0002786300000000, -0.0008169700000000 ]  - [   0.0134949800000000,  0.0012749600000000, -0.0018726600000000 ]  - [   0.0035524200000000,  0.0011252100000000, -0.0006066300000000 ]  - [   0.0017990100000000, -0.0126390000000000,  0.0105025100000000 ]  - [  -0.0001278300000000, -0.0028969300000000, -0.0052215700000000 ]  - [  -0.0030688300000000,  0.0003307100000000,  0.0002581600000000 ]  - [  -0.0029340400000000,  0.0001526100000000, -0.0002204300000000 ]  - [  -0.0127837100000000,  0.0045341000000000, -0.0133799500000000 ]  - [  -0.0037015300000000,  0.0005120900000000,  0.0059322400000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0238126900000000, -0.0238126900000000, -0.1848392100000000 ]  - [   0.0002958300000000,  0.0002958300000000,  0.0058631000000000 ]  - [   0.0001541200000000, -0.0002741600000000,  0.0029090100000000 ]  - [  -0.0006155100000000,  0.0004793700000000, -0.0031712300000000 ]  - [   0.0014778400000000,  0.0014778400000000, -0.0070300700000000 ]  - [  -0.0008287200000000, -0.0008287200000000,  0.0029722700000000 ]  - [  -0.0002741600000000,  0.0001541200000000,  0.0029090100000000 ]  - [   0.0004793700000000, -0.0006155100000000, -0.0031712300000000 ]  - [  -0.0005600400000000, -0.0007628400000000, -0.0033075100000000 ]  - [   0.0018750100000000,  0.0007121600000000,  0.0064212200000000 ]  - [   0.0004455900000000, -0.0025992600000000,  0.0245993600000000 ]  - [   0.0012821000000000, -0.0017345000000000, -0.0051393800000000 ]  - [   0.0007369900000000, -0.0024882800000000,  0.0020139700000000 ]  - [   0.0005152300000000,  0.0006350400000000, -0.0021654000000000 ]  - [  -0.0025992600000000,  0.0004455900000000,  0.0245993600000000 ]  - [  -0.0017345000000000,  0.0012821000000000, -0.0051393800000000 ]  - [  -0.0007628400000000, -0.0005600400000000, -0.0033075100000000 ]  - [   0.0007121600000000,  0.0018750100000000,  0.0064212200000000 ]  - [   0.0005555600000000,  0.0004277400000000, -0.0029704100000000 ]  - [  -0.0023030400000000, -0.0006587700000000,  0.0054753200000000 ]  - [   0.0006472400000000,  0.0006472400000000, -0.0033989100000000 ]  - [  -0.0012330700000000, -0.0012330700000000,  0.0034114200000000 ]  - [   0.0222779500000000,  0.0222779500000000,  0.0323227000000000 ]  - [   0.0009007900000000,  0.0009007900000000, -0.0047595300000000 ]  - [  -0.0001868300000000,  0.0013462500000000,  0.0017125300000000 ]  - [  -0.0008809000000000, -0.0016454300000000, -0.0027859900000000 ]  - [  -0.0006178500000000, -0.0006178500000000, -0.0032221300000000 ]  - [   0.0023454600000000,  0.0023454600000000,  0.0048562700000000 ]  - [   0.0000384000000000,  0.0000384000000000, -0.0071937700000000 ]  - [   0.0019594600000000,  0.0019594600000000,  0.0803760400000000 ]  - [   0.0013462500000000, -0.0001868300000000,  0.0017125300000000 ]  - [  -0.0016454300000000, -0.0008809000000000, -0.0027859900000000 ]  - [   0.0004277400000000,  0.0005555600000000, -0.0029704100000000 ]  - [  -0.0006587700000000, -0.0023030400000000,  0.0054753200000000 ]  - [  -0.0024882800000000,  0.0007369900000000,  0.0020139700000000 ]  - [   0.0006350400000000,  0.0005152300000000, -0.0021654000000000 ]  - [   0.0002133000000000,  0.0003923500000000, -0.0166417000000000 ]  - [   0.0012768500000000, -0.0002805900000000,  0.0053814500000000 ]  - [   0.0003923500000000,  0.0002133000000000, -0.0166417000000000 ]  - [  -0.0002805900000000,  0.0012768500000000,  0.0053814500000000 ]  - [  -0.0022109200000000,  0.0113721000000000,  0.0109181600000000 ]  - [   0.0011673800000000, -0.0149713200000000,  0.0063523100000000 ]  - [  -0.0092988900000000, -0.0092988900000000,  0.0110313300000000 ]  - [   0.0130396000000000,  0.0130396000000000,  0.0085748500000000 ]  - [   0.0008584100000000,  0.0008584100000000,  0.0024478800000000 ]  - [   0.0005355000000000,  0.0005355000000000, -0.0006156600000000 ]  - [   0.0113721000000000, -0.0022109200000000,  0.0109181600000000 ]  - [  -0.0149713200000000,  0.0011673800000000,  0.0063523100000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0239519600000000,  0.0239519600000000,  0.1914855600000000 ]  - [  -0.0003307200000000, -0.0003307200000000, -0.0057814800000000 ]  - [  -0.0001127600000000,  0.0002412900000000, -0.0029782500000000 ]  - [   0.0006540700000000, -0.0005171400000000,  0.0031369200000000 ]  - [  -0.0014504300000000, -0.0014504300000000,  0.0071628300000000 ]  - [   0.0008679600000000,  0.0008679600000000, -0.0029333500000000 ]  - [   0.0002412900000000, -0.0001127600000000, -0.0029782500000000 ]  - [  -0.0005171400000000,  0.0006540700000000,  0.0031369200000000 ]  - [   0.0006038400000000,  0.0009756300000000,  0.0034242700000000 ]  - [  -0.0018451900000000, -0.0004979900000000, -0.0063459100000000 ]  - [  -0.0000929200000000,  0.0020431500000000, -0.0244154100000000 ]  - [  -0.0010761100000000,  0.0016942000000000,  0.0050457000000000 ]  - [  -0.0007078300000000,  0.0022992100000000, -0.0021265900000000 ]  - [  -0.0004770200000000, -0.0008488600000000,  0.0020731700000000 ]  - [   0.0020431500000000, -0.0000929200000000, -0.0244154100000000 ]  - [   0.0016942000000000, -0.0010761100000000,  0.0050457000000000 ]  - [   0.0009756300000000,  0.0006038400000000,  0.0034242700000000 ]  - [  -0.0004979900000000, -0.0018451900000000, -0.0063459100000000 ]  - [  -0.0007652700000000, -0.0004734500000000,  0.0030910600000000 ]  - [   0.0021048100000000,  0.0006181000000000, -0.0054005000000000 ]  - [  -0.0006450200000000, -0.0006450200000000,  0.0031210900000000 ]  - [   0.0012326800000000,  0.0012326800000000, -0.0037188500000000 ]  - [  -0.0218314600000000, -0.0218314600000000, -0.0320909000000000 ]  - [  -0.0009010200000000, -0.0009010200000000,  0.0050520000000000 ]  - [   0.0001913400000000, -0.0013532100000000, -0.0016428000000000 ]  - [   0.0008845400000000,  0.0016552100000000,  0.0028740500000000 ]  - [   0.0006166800000000,  0.0006166800000000,  0.0031639200000000 ]  - [  -0.0023682500000000, -0.0023682500000000, -0.0049534200000000 ]  - [  -0.0000362900000000, -0.0000362900000000,  0.0070754900000000 ]  - [  -0.0022735800000000, -0.0022735800000000, -0.0876060000000000 ]  - [  -0.0013532100000000,  0.0001913400000000, -0.0016428000000000 ]  - [   0.0016552100000000,  0.0008845400000000,  0.0028740500000000 ]  - [  -0.0004734500000000, -0.0007652700000000,  0.0030910600000000 ]  - [   0.0006181000000000,  0.0021048100000000, -0.0054005000000000 ]  - [   0.0022992100000000, -0.0007078300000000, -0.0021265900000000 ]  - [  -0.0008488600000000, -0.0004770200000000,  0.0020731700000000 ]  - [  -0.0001482900000000, -0.0004050700000000,  0.0167599900000000 ]  - [  -0.0012854300000000,  0.0002739300000000, -0.0054022300000000 ]  - [  -0.0004050700000000, -0.0001482900000000,  0.0167599900000000 ]  - [   0.0002739300000000, -0.0012854300000000, -0.0054022300000000 ]  - [   0.0022346000000000, -0.0112610000000000, -0.0109831500000000 ]  - [  -0.0011575300000000,  0.0150319000000000, -0.0064876900000000 ]  - [   0.0091810500000000,  0.0091810500000000, -0.0109423700000000 ]  - [  -0.0131208500000000, -0.0131208500000000, -0.0085620200000000 ]  - [  -0.0008549000000000, -0.0008549000000000, -0.0024009900000000 ]  - [  -0.0005185400000000, -0.0005185400000000,  0.0006832200000000 ]  - [  -0.0112610000000000,  0.0022346000000000, -0.0109831500000000 ]  - [   0.0150319000000000, -0.0011575300000000, -0.0064876900000000 ]- atom:    9  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0006107200000000, -0.0003438300000000, -0.0005336300000000 ]  - [   0.0021964700000000, -0.0019292500000000,  0.0019033400000000 ]  - [   0.0146239900000000, -0.0017246200000000, -0.0017247700000000 ]  - [   0.0002846200000000,  0.0004545400000000, -0.0017652100000000 ]  - [  -0.0002116400000000,  0.0006608500000000, -0.0004032900000000 ]  - [  -0.0023525600000000,  0.0046676400000000,  0.0006783600000000 ]  - [  -0.0102815900000000,  0.0028169800000000, -0.0007840800000000 ]  - [  -0.0003910600000000,  0.0000529300000000, -0.0005430300000000 ]  - [  -0.2129505600000000, -0.0580835200000000, -0.0778161900000000 ]  - [  -0.0009437900000000, -0.0001531600000000,  0.0004801500000000 ]  - [  -0.0018071500000000,  0.0006246300000000, -0.0001551400000000 ]  - [  -0.0038521300000000,  0.0058913700000000,  0.0052610500000000 ]  - [   0.0009554200000000,  0.0001998800000000,  0.0000613000000000 ]  - [   0.0029707100000000, -0.0007613800000000, -0.0013032000000000 ]  - [  -0.0005298100000000, -0.0017983400000000,  0.0015766200000000 ]  - [  -0.0011786000000000,  0.0014195800000000, -0.0010968400000000 ]  - [   0.0040448500000000,  0.0016458300000000, -0.0004467200000000 ]  - [   0.0006374400000000,  0.0001964800000000,  0.0005773900000000 ]  - [   0.0103155200000000,  0.0141127500000000, -0.0003890300000000 ]  - [   0.0002451500000000,  0.0002223300000000,  0.0008390500000000 ]  - [   0.0370193900000000, -0.0086613300000000, -0.0003800500000000 ]  - [   0.0007172300000000, -0.0001932800000000,  0.0008229600000000 ]  - [  -0.0014285300000000,  0.0006893300000000,  0.0007797200000000 ]  - [  -0.0006228100000000, -0.0004620400000000,  0.0005996800000000 ]  - [   0.0030876700000000, -0.0003657300000000,  0.0002675800000000 ]  - [   0.0028508100000000, -0.0003303800000000, -0.0001233000000000 ]  - [   0.0039553600000000, -0.0040218700000000, -0.0024218100000000 ]  - [   0.0001053100000000, -0.0004634200000000,  0.0008213000000000 ]  - [  -0.0033914800000000,  0.0001037000000000, -0.0016038600000000 ]  - [  -0.0006675500000000,  0.0003150800000000,  0.0006980500000000 ]  - [   0.0012617400000000,  0.0018315500000000,  0.0055398200000000 ]  - [   0.0033664800000000,  0.0023726200000000, -0.0128681400000000 ]  - [   0.0228204700000000,  0.0097975500000000,  0.0020930800000000 ]  - [   0.0002447900000000,  0.0000531800000000,  0.0007182800000000 ]  - [   0.0004777500000000, -0.0006280100000000, -0.0010743200000000 ]  - [   0.0098516600000000, -0.0059421400000000,  0.0133503000000000 ]  - [  -0.0012744700000000, -0.0003875900000000, -0.0010259600000000 ]  - [  -0.0023488100000000, -0.0045533200000000,  0.0048258400000000 ]  - [   0.0009040600000000, -0.0004664600000000,  0.0003716600000000 ]  - [   0.1159121100000000,  0.0432451700000000,  0.0706110400000000 ]  - [   0.0100529300000000, -0.0016958200000000, -0.0014959400000000 ]  - [   0.0056720600000000, -0.0007904400000000, -0.0008003100000000 ]  - [   0.0065884600000000,  0.0052557400000000, -0.0040040500000000 ]  - [   0.0023606000000000,  0.0023985000000000,  0.0005720900000000 ]  - [  -0.0103493200000000, -0.0008634600000000, -0.0011666000000000 ]  - [  -0.0068004400000000, -0.0004841700000000, -0.0014540200000000 ]  - [  -0.0008058800000000, -0.0031405900000000,  0.0038340000000000 ]  - [  -0.0019455700000000, -0.0007841000000000, -0.0019031500000000 ]- atom:    9  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0006484900000000,  0.0003043800000000,  0.0005811900000000 ]  - [  -0.0022384500000000,  0.0019091200000000, -0.0018559100000000 ]  - [  -0.0168405800000000,  0.0010008000000000,  0.0029756500000000 ]  - [  -0.0002458400000000, -0.0004916100000000,  0.0017124700000000 ]  - [   0.0002559100000000, -0.0006173600000000,  0.0004564600000000 ]  - [   0.0024004800000000, -0.0046094200000000, -0.0006346200000000 ]  - [   0.0102135800000000, -0.0027809600000000,  0.0007076300000000 ]  - [   0.0003537300000000, -0.0000153500000000,  0.0004980700000000 ]  - [   0.2111260900000000,  0.0561651400000000,  0.0721230200000000 ]  - [   0.0009834500000000,  0.0003610500000000, -0.0003787500000000 ]  - [   0.0020065500000000, -0.0006665900000000,  0.0000596600000000 ]  - [   0.0039834800000000, -0.0059137600000000, -0.0053598700000000 ]  - [  -0.0009065000000000, -0.0004133700000000, -0.0001755700000000 ]  - [  -0.0029344900000000,  0.0005609100000000,  0.0012198800000000 ]  - [   0.0005031300000000,  0.0020281100000000, -0.0016719200000000 ]  - [   0.0011566500000000, -0.0012204300000000,  0.0010018600000000 ]  - [  -0.0038261700000000, -0.0016078000000000,  0.0005390900000000 ]  - [  -0.0004251200000000, -0.0001504300000000, -0.0004736200000000 ]  - [  -0.0105805400000000, -0.0142920900000000,  0.0004915900000000 ]  - [  -0.0004514200000000, -0.0002657800000000, -0.0007358000000000 ]  - [  -0.0375708900000000,  0.0087764300000000,  0.0001500800000000 ]  - [  -0.0007120800000000,  0.0001942300000000, -0.0010868000000000 ]  - [   0.0013945100000000, -0.0006767600000000, -0.0005000200000000 ]  - [   0.0006123900000000,  0.0004464500000000, -0.0003368900000000 ]  - [  -0.0030636000000000,  0.0003675900000000, -0.0002238200000000 ]  - [  -0.0028363500000000,  0.0003304900000000,  0.0002009000000000 ]  - [  -0.0039464400000000,  0.0039558200000000,  0.0023540100000000 ]  - [  -0.0001089400000000,  0.0004525300000000, -0.0008744300000000 ]  - [   0.0033892900000000, -0.0000975900000000,  0.0015518000000000 ]  - [   0.0006731300000000, -0.0003133300000000, -0.0007525900000000 ]  - [  -0.0012373200000000, -0.0018457100000000, -0.0055269300000000 ]  - [  -0.0033038300000000, -0.0023661400000000,  0.0128887100000000 ]  - [  -0.0225000700000000, -0.0097791900000000, -0.0020043800000000 ]  - [  -0.0002861600000000, -0.0002565200000000, -0.0006169400000000 ]  - [  -0.0006970600000000,  0.0006629800000000,  0.0009708600000000 ]  - [  -0.0099492900000000,  0.0058656900000000, -0.0132082100000000 ]  - [   0.0012630200000000,  0.0003916100000000,  0.0010273300000000 ]  - [   0.0023309100000000,  0.0045415900000000, -0.0048426600000000 ]  - [  -0.0008963700000000,  0.0004620900000000, -0.0003799100000000 ]  - [  -0.1115469600000000, -0.0407053900000000, -0.0663708400000000 ]  - [  -0.0100690000000000,  0.0018407300000000,  0.0015338800000000 ]  - [  -0.0056663000000000,  0.0007953600000000,  0.0007450900000000 ]  - [  -0.0066875400000000, -0.0051560800000000,  0.0039803600000000 ]  - [  -0.0023587700000000, -0.0023870900000000, -0.0005151400000000 ]  - [   0.0103110700000000,  0.0008895800000000,  0.0012775400000000 ]  - [   0.0067543200000000,  0.0004616100000000,  0.0014911500000000 ]  - [   0.0008577700000000,  0.0030860100000000, -0.0038589300000000 ]  - [   0.0019651400000000,  0.0007784300000000,  0.0018462900000000 ]- atom:    9  displacement:    [   0.0000000000000000,  0.0100000000000000,  0.0000000000000000 ]  forces:  - [  -0.0007118500000000, -0.0018762400000000, -0.0008331200000000 ]  - [   0.0010736300000000, -0.0060384800000000,  0.0006013400000000 ]  - [  -0.0010407600000000,  0.0194204600000000, -0.0002698300000000 ]  - [   0.0001110400000000,  0.0003331400000000, -0.0011892200000000 ]  - [   0.0007658000000000,  0.0008119200000000, -0.0006233200000000 ]  - [   0.0007032400000000, -0.0013083400000000,  0.0022023600000000 ]  - [  -0.0024356000000000, -0.0023351100000000, -0.0024107800000000 ]  - [  -0.0003130900000000,  0.0001326500000000,  0.0007198700000000 ]  - [  -0.0572851200000000, -0.0922073600000000, -0.0466401000000000 ]  - [  -0.0002416700000000, -0.0007110000000000,  0.0004269000000000 ]  - [   0.0011654500000000,  0.0005688300000000, -0.0021471000000000 ]  - [   0.0048204700000000,  0.0099145000000000,  0.0141546100000000 ]  - [  -0.0003068800000000,  0.0001293300000000,  0.0000955400000000 ]  - [   0.0006537500000000,  0.0009715000000000, -0.0016880200000000 ]  - [   0.0019021700000000,  0.0050095900000000,  0.0003559700000000 ]  - [  -0.0013182400000000,  0.0026944700000000, -0.0005985100000000 ]  - [   0.0006099900000000,  0.0039234100000000,  0.0004702400000000 ]  - [   0.0004778600000000,  0.0005267400000000,  0.0006157100000000 ]  - [   0.0143842500000000,  0.0104106600000000, -0.0017833000000000 ]  - [  -0.0001790000000000,  0.0003515800000000,  0.0000913100000000 ]  - [  -0.0072961300000000, -0.0057186000000000, -0.0003184900000000 ]  - [   0.0000213200000000, -0.0010622100000000,  0.0001568000000000 ]  - [  -0.0039466800000000,  0.0039212700000000,  0.0039439400000000 ]  - [   0.0000485200000000,  0.0036274200000000, -0.0008983500000000 ]  - [  -0.0021275900000000, -0.0007708000000000, -0.0012318600000000 ]  - [   0.0006851000000000, -0.0002431100000000,  0.0013217300000000 ]  - [  -0.0050493100000000,  0.0025527000000000,  0.0002224400000000 ]  - [  -0.0000814500000000,  0.0005010000000000,  0.0004648900000000 ]  - [   0.0006984500000000,  0.0107733800000000, -0.0027274100000000 ]  - [  -0.0001246600000000,  0.0013980400000000,  0.0012654400000000 ]  - [   0.0034052900000000, -0.0052454200000000,  0.0029663400000000 ]  - [   0.0026048000000000, -0.0041120200000000, -0.0046111200000000 ]  - [   0.0098146400000000,  0.0024041400000000,  0.0006867900000000 ]  - [   0.0001445400000000, -0.0007897400000000,  0.0000886700000000 ]  - [  -0.0011540200000000, -0.0018818700000000,  0.0010850000000000 ]  - [  -0.0048328400000000, -0.0038767300000000, -0.0042510800000000 ]  - [  -0.0000721900000000, -0.0009195500000000, -0.0007247400000000 ]  - [  -0.0004810400000000, -0.0070382900000000,  0.0042287800000000 ]  - [  -0.0002382800000000,  0.0025121900000000,  0.0001029200000000 ]  - [   0.0404378000000000,  0.0389604500000000,  0.0280549600000000 ]  - [   0.0023824400000000,  0.0123978200000000,  0.0048373000000000 ]  - [   0.0004099500000000, -0.0016257000000000,  0.0020725300000000 ]  - [   0.0017217100000000,  0.0042462300000000,  0.0034021300000000 ]  - [   0.0037764200000000,  0.0011877900000000, -0.0031796900000000 ]  - [  -0.0006665400000000,  0.0062220400000000,  0.0007659800000000 ]  - [  -0.0001780100000000,  0.0014327000000000,  0.0005255900000000 ]  - [  -0.0002465000000000, -0.0065774100000000,  0.0023703700000000 ]  - [  -0.0024911900000000, -0.0029979700000000, -0.0021704300000000 ]- atom:    9  displacement:    [   0.0000000000000000, -0.0100000000000000,  0.0000000000000000 ]  forces:  - [   0.0006815000000000,  0.0018550200000000,  0.0008965100000000 ]  - [  -0.0011237100000000,  0.0060147800000000, -0.0006096100000000 ]  - [   0.0007786600000000, -0.0195010000000000,  0.0002716700000000 ]  - [  -0.0000760400000000, -0.0003687900000000,  0.0011762200000000 ]  - [  -0.0007435000000000, -0.0007910400000000,  0.0006919200000000 ]  - [  -0.0006734600000000,  0.0012977600000000, -0.0022061500000000 ]  - [   0.0024223900000000,  0.0024021900000000,  0.0023789500000000 ]  - [   0.0002789500000000, -0.0000910000000000, -0.0007538400000000 ]  - [   0.0569099400000000,  0.0931632400000000,  0.0471614300000000 ]  - [   0.0002505200000000,  0.0009126600000000, -0.0003597900000000 ]  - [  -0.0009531500000000, -0.0005863900000000,  0.0020528600000000 ]  - [  -0.0045596100000000, -0.0098755200000000, -0.0140719900000000 ]  - [   0.0003085300000000, -0.0003255300000000, -0.0001776000000000 ]  - [  -0.0006789600000000, -0.0011529900000000,  0.0016360300000000 ]  - [  -0.0019260600000000, -0.0048233200000000, -0.0004599800000000 ]  - [   0.0013286300000000, -0.0025038700000000,  0.0005573500000000 ]  - [  -0.0004301600000000, -0.0039561900000000, -0.0003923900000000 ]  - [  -0.0002833100000000, -0.0005323700000000, -0.0005585600000000 ]  - [  -0.0147706200000000, -0.0104747400000000,  0.0018769300000000 ]  - [  -0.0000227000000000, -0.0003448100000000, -0.0000417100000000 ]  - [   0.0074055800000000,  0.0056489800000000,  0.0000964000000000 ]  - [  -0.0000286600000000,  0.0010592300000000, -0.0004353100000000 ]  - [   0.0040020300000000, -0.0039570500000000, -0.0037414000000000 ]  - [  -0.0000397900000000, -0.0036236200000000,  0.0011816300000000 ]  - [   0.0021210900000000,  0.0007483700000000,  0.0012834500000000 ]  - [  -0.0006709800000000,  0.0002091900000000, -0.0012701900000000 ]  - [   0.0050845600000000, -0.0025519500000000, -0.0002544400000000 ]  - [   0.0000676700000000, -0.0005000800000000, -0.0005471000000000 ]  - [  -0.0006652100000000, -0.0107206300000000,  0.0026844000000000 ]  - [   0.0001384800000000, -0.0013787400000000, -0.0013426100000000 ]  - [  -0.0034558000000000,  0.0053042300000000, -0.0029453800000000 ]  - [  -0.0025606400000000,  0.0041772500000000,  0.0045647300000000 ]  - [  -0.0097490800000000, -0.0026395300000000, -0.0005938300000000 ]  - [  -0.0001476600000000,  0.0005828900000000, -0.0000234600000000 ]  - [   0.0009623800000000,  0.0019091700000000, -0.0011764000000000 ]  - [   0.0045458100000000,  0.0039501500000000,  0.0040966900000000 ]  - [   0.0000815800000000,  0.0009046900000000,  0.0007532500000000 ]  - [   0.0004949800000000,  0.0070331800000000, -0.0042641100000000 ]  - [   0.0002367100000000, -0.0025050000000000, -0.0000771800000000 ]  - [  -0.0396937600000000, -0.0392151700000000, -0.0275957700000000 ]  - [  -0.0023784100000000, -0.0131285600000000, -0.0055598300000000 ]  - [  -0.0004080700000000,  0.0015655200000000, -0.0021337700000000 ]  - [  -0.0018568000000000, -0.0039938700000000, -0.0035573000000000 ]  - [  -0.0037808500000000, -0.0011528200000000,  0.0032700700000000 ]  - [   0.0006796100000000, -0.0062503200000000, -0.0007230800000000 ]  - [   0.0001909600000000, -0.0014195200000000, -0.0004114100000000 ]  - [   0.0002138500000000,  0.0066176200000000, -0.0024616800000000 ]  - [   0.0024925900000000,  0.0030082800000000,  0.0021153800000000 ]- atom:    9  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [  -0.0002790200000000,  0.0000794000000000, -0.0033228100000000 ]  - [   0.0018602800000000, -0.0034239500000000,  0.0064226200000000 ]  - [   0.0017957300000000,  0.0012020900000000,  0.0245766400000000 ]  - [  -0.0000956700000000,  0.0005856000000000, -0.0051252300000000 ]  - [   0.0010760800000000, -0.0001919500000000, -0.0029931400000000 ]  - [  -0.0018533400000000,  0.0040119000000000,  0.0054793700000000 ]  - [  -0.0001293100000000, -0.0002935100000000,  0.0020575400000000 ]  - [   0.0002774900000000, -0.0002782900000000, -0.0021593000000000 ]  - [  -0.0760239000000000, -0.0472115400000000, -0.1375442700000000 ]  - [   0.0004349900000000,  0.0004904100000000,  0.0037111900000000 ]  - [  -0.0010300400000000, -0.0010192000000000,  0.0037348200000000 ]  - [   0.0043052800000000,  0.0133691900000000,  0.0080708600000000 ]  - [  -0.0001197500000000,  0.0000325200000000,  0.0012043900000000 ]  - [   0.0012638600000000, -0.0017603800000000, -0.0021517400000000 ]  - [   0.0016208900000000, -0.0003044600000000,  0.0043393100000000 ]  - [  -0.0010496900000000,  0.0006803000000000, -0.0019096000000000 ]  - [   0.0005290000000000, -0.0004992900000000, -0.0025328800000000 ]  - [   0.0006935400000000,  0.0005248300000000,  0.0023670600000000 ]  - [   0.0017600300000000,  0.0004660400000000, -0.0063676600000000 ]  - [  -0.0001713100000000, -0.0007916300000000,  0.0038952700000000 ]  - [  -0.0009009700000000,  0.0004239000000000, -0.0086605000000000 ]  - [   0.0003459900000000,  0.0001896900000000,  0.0039829100000000 ]  - [  -0.0031161800000000,  0.0016816800000000,  0.0043002100000000 ]  - [   0.0004893300000000,  0.0001844300000000, -0.0016370700000000 ]  - [   0.0020995600000000,  0.0002301900000000,  0.0015530600000000 ]  - [   0.0002423600000000,  0.0010157600000000, -0.0012199500000000 ]  - [  -0.0026141900000000,  0.0007801800000000, -0.0043664900000000 ]  - [  -0.0002328100000000, -0.0008641000000000,  0.0036810100000000 ]  - [  -0.0015485400000000,  0.0007624000000000, -0.0056936700000000 ]  - [   0.0001367700000000,  0.0001674000000000,  0.0038724400000000 ]  - [   0.0068247800000000,  0.0009717500000000,  0.0088169100000000 ]  - [  -0.0125245600000000, -0.0041104600000000,  0.0153712700000000 ]  - [  -0.0020748100000000, -0.0007584100000000, -0.0061059000000000 ]  - [  -0.0006717100000000, -0.0001530000000000,  0.0030522400000000 ]  - [  -0.0021857800000000,  0.0001114100000000,  0.0037345700000000 ]  - [   0.0141084100000000, -0.0053479500000000,  0.0080618900000000 ]  - [  -0.0018311000000000,  0.0004626900000000, -0.0045212400000000 ]  - [   0.0002075500000000,  0.0007385400000000,  0.0050406300000000 ]  - [   0.0006530300000000,  0.0001651100000000, -0.0070482900000000 ]  - [   0.0677637900000000,  0.0296192100000000,  0.0774861600000000 ]  - [   0.0014118700000000,  0.0055203500000000,  0.0102670600000000 ]  - [  -0.0002467500000000,  0.0041565100000000, -0.0064410200000000 ]  - [  -0.0028266900000000,  0.0027127200000000,  0.0050028400000000 ]  - [   0.0031572700000000, -0.0031278600000000, -0.0055849800000000 ]  - [  -0.0001907200000000, -0.0000777300000000,  0.0026211400000000 ]  - [  -0.0005434500000000, -0.0002742000000000, -0.0051154600000000 ]  - [   0.0021859100000000,  0.0000039900000000,  0.0017083400000000 ]  - [  -0.0029835100000000, -0.0008523000000000, -0.0039105400000000 ]- atom:    9  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [   0.0002431200000000, -0.0001207800000000,  0.0033743000000000 ]  - [  -0.0018930600000000,  0.0033906700000000, -0.0063674900000000 ]  - [  -0.0024250000000000, -0.0014331700000000, -0.0244213200000000 ]  - [   0.0001302000000000, -0.0006252700000000,  0.0050912000000000 ]  - [  -0.0010455600000000,  0.0002357400000000,  0.0030422500000000 ]  - [   0.0018960000000000, -0.0039766200000000, -0.0054161900000000 ]  - [   0.0001173400000000,  0.0003566400000000, -0.0020573700000000 ]  - [  -0.0003120500000000,  0.0003124400000000,  0.0021114600000000 ]  - [   0.0738907700000000,  0.0465910800000000,  0.1365278500000000 ]  - [  -0.0004272000000000, -0.0002902100000000, -0.0036401400000000 ]  - [   0.0012369500000000,  0.0010283100000000, -0.0038304200000000 ]  - [  -0.0040451000000000, -0.0131883800000000, -0.0080732300000000 ]  - [   0.0001223700000000, -0.0002308800000000, -0.0012711200000000 ]  - [  -0.0012627900000000,  0.0015598600000000,  0.0020749400000000 ]  - [  -0.0016297500000000,  0.0005032700000000, -0.0044292900000000 ]  - [   0.0010473800000000, -0.0004824000000000,  0.0018261400000000 ]  - [  -0.0003434800000000,  0.0004874500000000,  0.0026062100000000 ]  - [  -0.0004974800000000, -0.0005228500000000, -0.0022927100000000 ]  - [  -0.0019014400000000, -0.0004014300000000,  0.0064626200000000 ]  - [  -0.0000272600000000,  0.0007845900000000, -0.0038252100000000 ]  - [   0.0010349500000000, -0.0004488700000000,  0.0084232000000000 ]  - [  -0.0003470700000000, -0.0001855600000000, -0.0042469100000000 ]  - [   0.0031271900000000, -0.0016881000000000, -0.0040475100000000 ]  - [  -0.0004889400000000, -0.0001776200000000,  0.0018901600000000 ]  - [  -0.0020910400000000, -0.0002497300000000, -0.0014831800000000 ]  - [  -0.0002281500000000, -0.0010339900000000,  0.0012541400000000 ]  - [   0.0025934300000000, -0.0007778500000000,  0.0043292500000000 ]  - [   0.0002160500000000,  0.0008443800000000, -0.0037430900000000 ]  - [   0.0015761700000000, -0.0007781000000000,  0.0056657500000000 ]  - [  -0.0001183000000000, -0.0001503800000000, -0.0039393200000000 ]  - [  -0.0069415400000000, -0.0009784600000000, -0.0088526300000000 ]  - [   0.0123346000000000,  0.0040671800000000, -0.0151534900000000 ]  - [   0.0020194000000000,  0.0005180400000000,  0.0061679300000000 ]  - [   0.0006654100000000, -0.0000439200000000, -0.0029751700000000 ]  - [   0.0020097100000000, -0.0001076400000000, -0.0038310300000000 ]  - [  -0.0141225300000000,  0.0052771900000000, -0.0080798800000000 ]  - [   0.0018468500000000, -0.0004577300000000,  0.0045219300000000 ]  - [  -0.0002052300000000, -0.0007502900000000, -0.0050121600000000 ]  - [  -0.0006650200000000, -0.0001697300000000,  0.0070739900000000 ]  - [  -0.0649933200000000, -0.0283616900000000, -0.0764738300000000 ]  - [  -0.0013758500000000, -0.0059705700000000, -0.0105786500000000 ]  - [   0.0002622500000000, -0.0041771100000000,  0.0063629700000000 ]  - [   0.0026892000000000, -0.0025788100000000, -0.0050702600000000 ]  - [  -0.0031814300000000,  0.0030859200000000,  0.0056774100000000 ]  - [   0.0002218600000000,  0.0000890800000000, -0.0025907100000000 ]  - [   0.0005777500000000,  0.0003006200000000,  0.0052106900000000 ]  - [  -0.0022315300000000,  0.0000431900000000, -0.0018285900000000 ]  - [   0.0029411500000000,  0.0008825100000000,  0.0038365000000000 ]- atom:   21  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0009606600000000, -0.0005714100000000,  0.0006733500000000 ]  - [  -0.0011103400000000, -0.0005088800000000, -0.0012134400000000 ]  - [   0.0520977800000000, -0.0339462000000000,  0.0227455900000000 ]  - [   0.0003875300000000, -0.0003822200000000,  0.0008798900000000 ]  - [  -0.0009356900000000, -0.0005525400000000, -0.0006207500000000 ]  - [  -0.0011007900000000, -0.0004649900000000,  0.0012530100000000 ]  - [   0.0505247900000000, -0.0316302500000000, -0.0213843100000000 ]  - [   0.0003683900000000, -0.0003596000000000, -0.0009202800000000 ]  - [   0.0375901300000000, -0.0073658900000000, -0.0009504300000000 ]  - [   0.0007104200000000,  0.0001249600000000,  0.0003859200000000 ]  - [   0.0040280700000000, -0.0006738500000000, -0.0017147500000000 ]  - [   0.0037173800000000,  0.0004642000000000, -0.0001965700000000 ]  - [  -0.0014109700000000,  0.0038622600000000,  0.0030758500000000 ]  - [  -0.0006121100000000, -0.0001518000000000, -0.0005353800000000 ]  - [  -0.0014098200000000,  0.0040854300000000, -0.0031662200000000 ]  - [  -0.0006287500000000,  0.0000616600000000,  0.0004414500000000 ]  - [  -0.0055374700000000, -0.0087979100000000,  0.0004885100000000 ]  - [  -0.0009602500000000, -0.0001938900000000,  0.0002269200000000 ]  - [  -0.0058299300000000, -0.0086377700000000, -0.0003834700000000 ]  - [  -0.0011626800000000, -0.0001954800000000, -0.0001474200000000 ]  - [  -0.1885149300000000,  0.1014281100000000, -0.0011147300000000 ]  - [  -0.0010400800000000,  0.0004368800000000, -0.0001226400000000 ]  - [   0.0017788600000000, -0.0000015200000000,  0.0001167100000000 ]  - [   0.0012725200000000,  0.0000007500000000,  0.0001229700000000 ]  - [  -0.0035693000000000, -0.0034923200000000,  0.0033236200000000 ]  - [  -0.0000642900000000, -0.0058094000000000, -0.0110329700000000 ]  - [   0.0045151400000000,  0.0022999500000000, -0.0014376500000000 ]  - [   0.0007356100000000, -0.0001920500000000,  0.0004326600000000 ]  - [   0.0045167900000000,  0.0023391700000000,  0.0013822700000000 ]  - [   0.0007532600000000, -0.0001705900000000, -0.0004859700000000 ]  - [  -0.0035905100000000, -0.0034872400000000, -0.0032944100000000 ]  - [  -0.0001773600000000, -0.0057937700000000,  0.0110336900000000 ]  - [   0.0369949600000000, -0.0073438200000000,  0.0009920900000000 ]  - [   0.0007201900000000, -0.0000706300000000, -0.0003148600000000 ]  - [   0.0038492500000000, -0.0006894800000000,  0.0016527900000000 ]  - [   0.0035316800000000,  0.0004429100000000,  0.0001613700000000 ]  - [   0.0045247800000000,  0.0001082000000000,  0.0000098400000000 ]  - [   0.0039456500000000,  0.0013384300000000,  0.0000312000000000 ]  - [  -0.0020228100000000,  0.0022384800000000,  0.0000071900000000 ]  - [  -0.0170245400000000, -0.0085194700000000, -0.0000530500000000 ]  - [  -0.0031739100000000,  0.0031272300000000,  0.0026829400000000 ]  - [  -0.0024514500000000,  0.0015709000000000, -0.0012241600000000 ]  - [   0.0141246000000000,  0.0027471500000000, -0.0061737900000000 ]  - [   0.0021753500000000, -0.0019694400000000, -0.0026830500000000 ]  - [   0.0139847000000000,  0.0025485600000000,  0.0058853300000000 ]  - [   0.0021584900000000, -0.0019646900000000,  0.0027812400000000 ]  - [  -0.0032257100000000,  0.0031146000000000, -0.0027596300000000 ]  - [  -0.0024919600000000,  0.0015972700000000,  0.0011434900000000 ]- atom:   21  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0005507900000000,  0.0005507900000000, -0.0032613900000000 ]  - [  -0.0006073100000000, -0.0006073100000000,  0.0035562300000000 ]  - [   0.0128170300000000, -0.0128170300000000,  0.0321976100000000 ]  - [  -0.0005755900000000,  0.0005755900000000, -0.0048911900000000 ]  - [  -0.0005507900000000, -0.0005507900000000, -0.0032613900000000 ]  - [   0.0006073100000000,  0.0006073100000000,  0.0035562300000000 ]  - [  -0.0128170300000000,  0.0128170300000000,  0.0321976100000000 ]  - [   0.0005755900000000, -0.0005755900000000, -0.0048911900000000 ]  - [  -0.0003490500000000, -0.0000899200000000, -0.0084834400000000 ]  - [   0.0009604700000000,  0.0003923000000000,  0.0041484500000000 ]  - [  -0.0037356100000000,  0.0006336400000000,  0.0041270800000000 ]  - [   0.0011373700000000,  0.0004541800000000, -0.0018159500000000 ]  - [  -0.0006336400000000,  0.0037356100000000,  0.0041270800000000 ]  - [  -0.0004541800000000, -0.0011373700000000, -0.0018159500000000 ]  - [   0.0006336400000000, -0.0037356100000000,  0.0041270800000000 ]  - [   0.0004541800000000,  0.0011373700000000, -0.0018159500000000 ]  - [  -0.0000899200000000, -0.0003490500000000, -0.0084834400000000 ]  - [   0.0003923000000000,  0.0009604700000000,  0.0041484500000000 ]  - [   0.0000899200000000,  0.0003490500000000, -0.0084834400000000 ]  - [  -0.0003923000000000, -0.0009604700000000,  0.0041484500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1247727500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0046149100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0016152700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0026995000000000 ]  - [   0.0036732800000000, -0.0036732800000000,  0.0065628700000000 ]  - [  -0.0137514200000000,  0.0137514200000000,  0.0212621900000000 ]  - [   0.0025199500000000,  0.0025199500000000, -0.0050358300000000 ]  - [   0.0001359800000000,  0.0001359800000000,  0.0032355600000000 ]  - [  -0.0025199500000000, -0.0025199500000000, -0.0050358300000000 ]  - [  -0.0001359800000000, -0.0001359800000000,  0.0032355600000000 ]  - [  -0.0036732800000000,  0.0036732800000000,  0.0065628700000000 ]  - [   0.0137514200000000, -0.0137514200000000,  0.0212621900000000 ]  - [   0.0003490500000000,  0.0000899200000000, -0.0084834400000000 ]  - [  -0.0009604700000000, -0.0003923000000000,  0.0041484500000000 ]  - [   0.0037356100000000, -0.0006336400000000,  0.0041270800000000 ]  - [  -0.0011373700000000, -0.0004541800000000, -0.0018159500000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0057139500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0045155100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0057139500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0045155100000000 ]  - [   0.0004834200000000, -0.0004834200000000,  0.0030067100000000 ]  - [  -0.0029946800000000,  0.0029946800000000, -0.0039450100000000 ]  - [  -0.0092427500000000, -0.0092427500000000,  0.0229636300000000 ]  - [  -0.0048907100000000, -0.0048907100000000, -0.0097841900000000 ]  - [   0.0092427500000000,  0.0092427500000000,  0.0229636300000000 ]  - [   0.0048907100000000,  0.0048907100000000, -0.0097841900000000 ]  - [  -0.0004834200000000,  0.0004834200000000,  0.0030067100000000 ]  - [   0.0029946800000000, -0.0029946800000000, -0.0039450100000000 ]- atom:   21  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0005885700000000, -0.0005885700000000,  0.0033147400000000 ]  - [   0.0005840600000000,  0.0005840600000000, -0.0035198900000000 ]  - [  -0.0121378700000000,  0.0121378700000000, -0.0322694600000000 ]  - [   0.0006115800000000, -0.0006115800000000,  0.0048674600000000 ]  - [   0.0005885700000000,  0.0005885700000000,  0.0033147400000000 ]  - [  -0.0005840600000000, -0.0005840600000000, -0.0035198900000000 ]  - [   0.0121378700000000, -0.0121378700000000, -0.0322694600000000 ]  - [  -0.0006115800000000,  0.0006115800000000,  0.0048674600000000 ]  - [   0.0001771500000000,  0.0003389300000000,  0.0086095700000000 ]  - [  -0.0009514900000000, -0.0001890400000000, -0.0040718400000000 ]  - [   0.0039598400000000, -0.0006426600000000, -0.0042255900000000 ]  - [  -0.0009280500000000, -0.0004782700000000,  0.0017017600000000 ]  - [   0.0006426600000000, -0.0039598400000000, -0.0042255900000000 ]  - [   0.0004782700000000,  0.0009280500000000,  0.0017017600000000 ]  - [  -0.0006426600000000,  0.0039598400000000, -0.0042255900000000 ]  - [  -0.0004782700000000, -0.0009280500000000,  0.0017017600000000 ]  - [   0.0003389300000000,  0.0001771500000000,  0.0086095700000000 ]  - [  -0.0001890400000000, -0.0009514900000000, -0.0040718400000000 ]  - [  -0.0003389300000000, -0.0001771500000000,  0.0086095700000000 ]  - [   0.0001890400000000,  0.0009514900000000, -0.0040718400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.1254529800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0048763100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0013592900000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0029396800000000 ]  - [  -0.0037077700000000,  0.0037077700000000, -0.0065874900000000 ]  - [   0.0135828600000000, -0.0135828600000000, -0.0210153500000000 ]  - [  -0.0025546800000000, -0.0025546800000000,  0.0050336600000000 ]  - [  -0.0001471000000000, -0.0001471000000000, -0.0032889600000000 ]  - [   0.0025546800000000,  0.0025546800000000,  0.0050336600000000 ]  - [   0.0001471000000000,  0.0001471000000000, -0.0032889600000000 ]  - [   0.0037077700000000, -0.0037077700000000, -0.0065874900000000 ]  - [  -0.0135828600000000,  0.0135828600000000, -0.0210153500000000 ]  - [  -0.0001771500000000, -0.0003389300000000,  0.0086095700000000 ]  - [   0.0009514900000000,  0.0001890400000000, -0.0040718400000000 ]  - [  -0.0039598400000000,  0.0006426600000000, -0.0042255900000000 ]  - [   0.0009280500000000,  0.0004782700000000,  0.0017017600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0057278700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0044162100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0057278700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0044162100000000 ]  - [  -0.0004118200000000,  0.0004118200000000, -0.0031705000000000 ]  - [   0.0030436700000000, -0.0030436700000000,  0.0038771400000000 ]  - [   0.0097587400000000,  0.0097587400000000, -0.0235383500000000 ]  - [   0.0048269000000000,  0.0048269000000000,  0.0098790100000000 ]  - [  -0.0097587400000000, -0.0097587400000000, -0.0235383500000000 ]  - [  -0.0048269000000000, -0.0048269000000000,  0.0098790100000000 ]  - [   0.0004118200000000, -0.0004118200000000, -0.0031705000000000 ]  - [  -0.0030436700000000,  0.0030436700000000,  0.0038771400000000 ]- atom:   25  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0043185700000000,  0.0009761400000000, -0.0001557100000000 ]  - [  -0.0004088600000000,  0.0002336200000000, -0.0008836700000000 ]  - [  -0.0005885700000000,  0.0011887300000000, -0.0006400400000000 ]  - [  -0.0025607400000000,  0.0016809100000000,  0.0023611500000000 ]  - [   0.0016610300000000, -0.0005241700000000, -0.0013284100000000 ]  - [   0.0000168600000000, -0.0004473100000000,  0.0016647300000000 ]  - [   0.0033095300000000, -0.0006209400000000, -0.0000606600000000 ]  - [   0.0248008700000000, -0.0004167800000000, -0.0020115700000000 ]  - [   0.0030973600000000, -0.0020383700000000,  0.0021550900000000 ]  - [   0.0028554500000000,  0.0007809500000000,  0.0002667700000000 ]  - [   0.0108338700000000, -0.0001193100000000, -0.0008387200000000 ]  - [   0.0014928100000000, -0.0003247300000000, -0.0001856700000000 ]  - [  -0.0033701900000000, -0.0007895500000000,  0.0015195300000000 ]  - [  -0.0006555800000000,  0.0000293400000000, -0.0001632800000000 ]  - [   0.0039308500000000,  0.0052098800000000, -0.0026692300000000 ]  - [   0.0000909000000000,  0.0001773100000000, -0.0002539300000000 ]  - [  -0.0051781800000000,  0.0018570500000000,  0.0010231200000000 ]  - [  -0.0040692300000000,  0.0023444200000000, -0.0039906200000000 ]  - [  -0.0008758600000000, -0.0003794100000000, -0.0002013100000000 ]  - [  -0.0003398900000000, -0.0003451500000000, -0.0009943900000000 ]  - [  -0.0036170900000000, -0.0035195900000000,  0.0035736400000000 ]  - [  -0.0001724600000000, -0.0057982100000000, -0.0137701000000000 ]  - [   0.0045152700000000, -0.0023090900000000,  0.0026536900000000 ]  - [   0.0007469900000000,  0.0001825300000000,  0.0002788500000000 ]  - [  -0.0637105900000000,  0.0152764300000000,  0.0139457300000000 ]  - [  -0.0015628100000000,  0.0001809400000000, -0.0000209000000000 ]  - [   0.0000358800000000, -0.0064382600000000, -0.0021361000000000 ]  - [  -0.0006809400000000,  0.0001334500000000,  0.0012274500000000 ]  - [   0.0108563100000000,  0.0065240300000000,  0.0016691700000000 ]  - [   0.0016683000000000, -0.0001334300000000,  0.0003652100000000 ]  - [   0.0038860600000000, -0.0084435300000000, -0.0004431100000000 ]  - [   0.0004183700000000, -0.0005010000000000,  0.0004443800000000 ]  - [   0.0012494000000000,  0.0033153500000000, -0.0068318000000000 ]  - [   0.0033538600000000,  0.0024745200000000,  0.0124517300000000 ]  - [   0.0024603500000000,  0.0039906700000000,  0.0007323100000000 ]  - [   0.0004005300000000,  0.0004687200000000, -0.0008841100000000 ]  - [   0.0045702300000000, -0.0047251900000000,  0.0022122600000000 ]  - [   0.0005522300000000, -0.0001295200000000, -0.0001720600000000 ]  - [  -0.0107954600000000, -0.0038823100000000, -0.0044556900000000 ]  - [  -0.0052735300000000, -0.0014189000000000,  0.0008027400000000 ]  - [  -0.0064291100000000,  0.0015667400000000,  0.0000244800000000 ]  - [  -0.0016921300000000,  0.0001001000000000, -0.0001939900000000 ]  - [   0.0005322500000000, -0.0034092200000000, -0.0029716100000000 ]  - [  -0.0024416000000000, -0.0012639500000000,  0.0019803600000000 ]  - [   0.0139100200000000,  0.0002076800000000,  0.0003521500000000 ]  - [   0.0039476600000000, -0.0000110400000000,  0.0004360200000000 ]  - [   0.0124851400000000, -0.0029804200000000, -0.0043271200000000 ]  - [   0.0010630100000000,  0.0020698600000000, -0.0015567900000000 ]- atom:   25  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0042769900000000, -0.0010375100000000,  0.0002445700000000 ]  - [   0.0003690900000000, -0.0002772300000000,  0.0009067000000000 ]  - [   0.0006384900000000, -0.0012167800000000,  0.0005676700000000 ]  - [   0.0026373900000000, -0.0017449100000000, -0.0023772200000000 ]  - [  -0.0016492700000000,  0.0005554200000000,  0.0013961900000000 ]  - [   0.0000195800000000,  0.0004891100000000, -0.0016089200000000 ]  - [  -0.0033483000000000,  0.0006615700000000, -0.0000092800000000 ]  - [  -0.0248930100000000,  0.0004797500000000,  0.0021895800000000 ]  - [  -0.0030675800000000,  0.0021938900000000, -0.0020505900000000 ]  - [  -0.0028462000000000, -0.0005888400000000, -0.0002160500000000 ]  - [  -0.0106729200000000,  0.0000974100000000,  0.0007114700000000 ]  - [  -0.0013007700000000,  0.0003144700000000,  0.0001434200000000 ]  - [   0.0033912800000000,  0.0005900600000000, -0.0015877100000000 ]  - [   0.0006663800000000, -0.0002198000000000,  0.0001098000000000 ]  - [  -0.0039525200000000, -0.0049420200000000,  0.0025541600000000 ]  - [  -0.0001068800000000,  0.0000135500000000,  0.0002082100000000 ]  - [   0.0053582800000000, -0.0018360000000000, -0.0009407300000000 ]  - [   0.0042046300000000, -0.0024116500000000,  0.0041688900000000 ]  - [   0.0006597700000000,  0.0003721200000000,  0.0002628200000000 ]  - [   0.0001281700000000,  0.0003335200000000,  0.0010436300000000 ]  - [   0.0035470800000000,  0.0034595500000000, -0.0038207400000000 ]  - [   0.0000702900000000,  0.0058083200000000,  0.0135482600000000 ]  - [  -0.0045124300000000,  0.0023343600000000, -0.0024082000000000 ]  - [  -0.0007406000000000, -0.0001774800000000,  0.0000113000000000 ]  - [   0.0634643400000000, -0.0157482400000000, -0.0151355200000000 ]  - [   0.0015687700000000, -0.0001798600000000,  0.0001132600000000 ]  - [   0.0000162300000000,  0.0065179500000000,  0.0020613300000000 ]  - [   0.0006917000000000, -0.0001346500000000, -0.0012964300000000 ]  - [  -0.0107869700000000, -0.0064336200000000, -0.0016976500000000 ]  - [  -0.0016679100000000,  0.0001338600000000, -0.0004565100000000 ]  - [  -0.0039011400000000,  0.0083413400000000,  0.0004778500000000 ]  - [  -0.0004289300000000,  0.0005083000000000, -0.0003558200000000 ]  - [  -0.0012381000000000, -0.0035322800000000,  0.0069239300000000 ]  - [  -0.0032978100000000, -0.0026780800000000, -0.0124168600000000 ]  - [  -0.0026282800000000, -0.0040050200000000, -0.0008137800000000 ]  - [  -0.0005836900000000, -0.0004616700000000,  0.0008365400000000 ]  - [  -0.0044666100000000,  0.0047948500000000, -0.0021637300000000 ]  - [  -0.0005458200000000,  0.0001076700000000,  0.0001534100000000 ]  - [   0.0107487700000000,  0.0039447200000000,  0.0045627200000000 ]  - [   0.0052522400000000,  0.0014158100000000, -0.0008327200000000 ]  - [   0.0064127800000000, -0.0015809400000000, -0.0000986900000000 ]  - [   0.0016807700000000, -0.0001009100000000,  0.0001210900000000 ]  - [   0.0002621300000000,  0.0034605900000000,  0.0034018800000000 ]  - [   0.0024943600000000,  0.0012794000000000, -0.0019557800000000 ]  - [  -0.0139243900000000, -0.0002716300000000, -0.0001962100000000 ]  - [  -0.0039684100000000, -0.0000203400000000, -0.0004111600000000 ]  - [  -0.0129333500000000,  0.0034552400000000,  0.0046823100000000 ]  - [  -0.0010976100000000, -0.0020633600000000,  0.0014493100000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0010100600000000,  0.0008884600000000,  0.0017068500000000 ]  - [  -0.0003216400000000, -0.0002232700000000, -0.0027760000000000 ]  - [  -0.0017108700000000,  0.0017108700000000, -0.0032209900000000 ]  - [   0.0040175400000000, -0.0040175400000000,  0.0048332500000000 ]  - [  -0.0008884600000000, -0.0010100600000000,  0.0017068500000000 ]  - [   0.0002232700000000,  0.0003216400000000, -0.0027760000000000 ]  - [   0.0001165200000000, -0.0001165200000000, -0.0071818600000000 ]  - [  -0.0030474600000000,  0.0030474600000000,  0.0803804500000000 ]  - [   0.0002320200000000, -0.0011558900000000,  0.0015579600000000 ]  - [  -0.0001729200000000,  0.0013867700000000, -0.0011857600000000 ]  - [   0.0028079800000000, -0.0015713000000000, -0.0057173800000000 ]  - [  -0.0012102300000000,  0.0007431700000000,  0.0038568200000000 ]  - [   0.0015713000000000, -0.0028079800000000, -0.0057173800000000 ]  - [  -0.0007431700000000,  0.0012102300000000,  0.0038568200000000 ]  - [  -0.0023858800000000, -0.0001459600000000, -0.0043752500000000 ]  - [   0.0008629500000000, -0.0004064000000000,  0.0036626300000000 ]  - [   0.0030658200000000,  0.0055563300000000,  0.0089085800000000 ]  - [  -0.0044552200000000, -0.0128076900000000,  0.0152329700000000 ]  - [   0.0011558900000000, -0.0002320200000000,  0.0015579600000000 ]  - [  -0.0013867700000000,  0.0001729200000000, -0.0011857600000000 ]  - [   0.0033310700000000, -0.0033310700000000,  0.0064907900000000 ]  - [  -0.0109727300000000,  0.0109727300000000,  0.0209482100000000 ]  - [  -0.0014131100000000,  0.0014131100000000, -0.0049229700000000 ]  - [   0.0004583100000000, -0.0004583100000000,  0.0033606500000000 ]  - [   0.0144249000000000, -0.0144249000000000, -0.1722332200000000 ]  - [  -0.0000518700000000,  0.0000518700000000,  0.0060107000000000 ]  - [  -0.0021069300000000,  0.0016621700000000,  0.0030907300000000 ]  - [   0.0012425100000000,  0.0003946900000000, -0.0006246800000000 ]  - [  -0.0016621700000000,  0.0021069300000000,  0.0030907300000000 ]  - [  -0.0003946900000000, -0.0012425100000000, -0.0006246800000000 ]  - [   0.0004246400000000, -0.0004246400000000, -0.0054531200000000 ]  - [  -0.0004119900000000,  0.0004119900000000,  0.0041055600000000 ]  - [  -0.0055563300000000, -0.0030658200000000,  0.0089085800000000 ]  - [   0.0128076900000000,  0.0044552200000000,  0.0152329700000000 ]  - [   0.0001459600000000,  0.0023858800000000, -0.0043752500000000 ]  - [   0.0004064000000000, -0.0008629500000000,  0.0036626300000000 ]  - [   0.0033626800000000,  0.0099626800000000,  0.0077548400000000 ]  - [  -0.0013465700000000, -0.0033060000000000, -0.0060581000000000 ]  - [  -0.0099626800000000, -0.0033626800000000,  0.0077548400000000 ]  - [   0.0033060000000000,  0.0013465700000000, -0.0060581000000000 ]  - [   0.0011347300000000, -0.0011347300000000,  0.0033336500000000 ]  - [   0.0007709200000000, -0.0007709200000000, -0.0030728600000000 ]  - [  -0.0007275700000000, -0.0012262100000000,  0.0121514200000000 ]  - [   0.0050541000000000,  0.0019347500000000, -0.0083010400000000 ]  - [   0.0012262100000000,  0.0007275700000000,  0.0121514200000000 ]  - [  -0.0019347500000000, -0.0050541000000000, -0.0083010400000000 ]  - [  -0.0061628100000000,  0.0061628100000000,  0.0167823300000000 ]  - [  -0.0041326600000000,  0.0041326600000000, -0.0079297400000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0010461000000000, -0.0009284100000000, -0.0016908900000000 ]  - [   0.0002763600000000,  0.0001794500000000,  0.0028420900000000 ]  - [   0.0017408200000000, -0.0017408200000000,  0.0031991700000000 ]  - [  -0.0039795300000000,  0.0039795300000000, -0.0049347100000000 ]  - [   0.0009284100000000,  0.0010461000000000, -0.0016908900000000 ]  - [  -0.0001794500000000, -0.0002763600000000,  0.0028420900000000 ]  - [  -0.0001575800000000,  0.0001575800000000,  0.0071309800000000 ]  - [   0.0033617400000000, -0.0033617400000000, -0.0875565700000000 ]  - [  -0.0002323300000000,  0.0013587500000000, -0.0014913200000000 ]  - [   0.0001706500000000, -0.0012013800000000,  0.0012818800000000 ]  - [  -0.0026022800000000,  0.0015617100000000,  0.0056587000000000 ]  - [   0.0014019900000000, -0.0007432700000000, -0.0039503200000000 ]  - [  -0.0015617100000000,  0.0026022800000000,  0.0056587000000000 ]  - [   0.0007432700000000, -0.0014019900000000, -0.0039503200000000 ]  - [   0.0023668800000000,  0.0003311300000000,  0.0043273300000000 ]  - [  -0.0008606800000000,  0.0006088100000000, -0.0037563700000000 ]  - [  -0.0028387600000000, -0.0054771300000000, -0.0087619900000000 ]  - [   0.0047190700000000,  0.0129695200000000, -0.0153093900000000 ]  - [  -0.0013587500000000,  0.0002323300000000, -0.0014913200000000 ]  - [   0.0012013800000000, -0.0001706500000000,  0.0012818800000000 ]  - [  -0.0032846600000000,  0.0032846600000000, -0.0066717800000000 ]  - [   0.0110879800000000, -0.0110879800000000, -0.0213391000000000 ]  - [   0.0014093100000000, -0.0014093100000000,  0.0051571900000000 ]  - [  -0.0004611000000000,  0.0004611000000000, -0.0031514400000000 ]  - [  -0.0146892500000000,  0.0146892500000000,  0.1795572900000000 ]  - [   0.0000665000000000, -0.0000665000000000, -0.0059934300000000 ]  - [   0.0021071100000000, -0.0016891500000000, -0.0031474200000000 ]  - [  -0.0012647500000000, -0.0004111000000000,  0.0006101200000000 ]  - [   0.0016891500000000, -0.0021071100000000, -0.0031474200000000 ]  - [   0.0004111000000000,  0.0012647500000000,  0.0006101200000000 ]  - [  -0.0004815100000000,  0.0004815100000000,  0.0055030300000000 ]  - [   0.0004034600000000, -0.0004034600000000, -0.0040756200000000 ]  - [   0.0054771300000000,  0.0028387600000000, -0.0087619900000000 ]  - [  -0.0129695200000000, -0.0047190700000000, -0.0153093900000000 ]  - [  -0.0003311300000000, -0.0023668800000000,  0.0043273300000000 ]  - [  -0.0006088100000000,  0.0008606800000000, -0.0037563700000000 ]  - [  -0.0033616200000000, -0.0099659400000000, -0.0078616700000000 ]  - [   0.0013330000000000,  0.0032829000000000,  0.0060863500000000 ]  - [   0.0099659400000000,  0.0033616200000000, -0.0078616700000000 ]  - [  -0.0032829000000000, -0.0013330000000000,  0.0060863500000000 ]  - [  -0.0011152400000000,  0.0011152400000000, -0.0034024000000000 ]  - [  -0.0007826400000000,  0.0007826400000000,  0.0030174200000000 ]  - [   0.0009066900000000,  0.0012324500000000, -0.0119902500000000 ]  - [  -0.0050795500000000, -0.0019642300000000,  0.0083917700000000 ]  - [  -0.0012324500000000, -0.0009066900000000, -0.0119902500000000 ]  - [   0.0019642300000000,  0.0050795500000000,  0.0083917700000000 ]  - [   0.0058840100000000, -0.0058840100000000, -0.0167897300000000 ]  - [   0.0041461100000000, -0.0041461100000000,  0.0078724300000000 ]- atom:   37  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0276468000000000, -0.0072192900000000,  0.0002741200000000 ]  - [   0.0003561100000000,  0.0002656100000000,  0.0012997600000000 ]  - [  -0.0006547000000000,  0.0000074800000000, -0.0003040600000000 ]  - [   0.0010216600000000,  0.0110356200000000,  0.0003668200000000 ]  - [   0.0274692900000000, -0.0070428100000000, -0.0000905700000000 ]  - [   0.0003907500000000,  0.0002949700000000, -0.0012658500000000 ]  - [  -0.0006771900000000,  0.0000322300000000,  0.0002514500000000 ]  - [   0.0010553400000000,  0.0110807400000000, -0.0004349000000000 ]  - [  -0.0012669200000000,  0.0000221600000000, -0.0017985900000000 ]  - [  -0.0023231100000000, -0.0003897800000000,  0.0002426700000000 ]  - [  -0.0069288400000000,  0.0045465700000000, -0.0008023100000000 ]  - [  -0.0008117700000000,  0.0003912100000000, -0.0004918300000000 ]  - [   0.1115144600000000, -0.0388969900000000, -0.0642846700000000 ]  - [   0.0008949300000000,  0.0001386000000000, -0.0006969000000000 ]  - [   0.1159437400000000, -0.0412751600000000,  0.0685101100000000 ]  - [   0.0009019600000000,  0.0003395600000000,  0.0006170500000000 ]  - [   0.0026013000000000, -0.0004604500000000,  0.0002125500000000 ]  - [   0.0393491400000000,  0.0416761700000000,  0.0288236300000000 ]  - [   0.0024069200000000, -0.0004678400000000, -0.0001198900000000 ]  - [   0.0388291700000000,  0.0422322000000000, -0.0291511500000000 ]  - [   0.0045229700000000,  0.0022359600000000, -0.0001151800000000 ]  - [   0.0039485400000000, -0.0085204000000000, -0.0001265700000000 ]  - [  -0.0170215200000000, -0.0013381500000000,  0.0000735500000000 ]  - [  -0.0020251600000000, -0.0001092000000000,  0.0001336500000000 ]  - [   0.0044991300000000, -0.0039190000000000,  0.0033826600000000 ]  - [   0.0005481400000000, -0.0014269800000000, -0.0013157600000000 ]  - [  -0.0052830700000000,  0.0001079300000000,  0.0032790300000000 ]  - [  -0.0107415400000000,  0.0047116200000000, -0.0099326000000000 ]  - [  -0.0052486500000000,  0.0001260900000000, -0.0033039800000000 ]  - [  -0.0108058600000000,  0.0048137300000000,  0.0099930100000000 ]  - [   0.0045275300000000, -0.0039117700000000, -0.0033341000000000 ]  - [   0.0005457600000000, -0.0014123500000000,  0.0013594700000000 ]  - [  -0.0012753700000000, -0.0001749700000000,  0.0018819500000000 ]  - [  -0.0023603200000000, -0.0005954500000000, -0.0001642200000000 ]  - [  -0.0071426200000000,  0.0045462200000000,  0.0006866900000000 ]  - [  -0.0010156700000000,  0.0003876100000000,  0.0004266600000000 ]  - [  -0.3472702900000000,  0.0000429100000000, -0.0040469700000000 ]  - [  -0.0026268400000000, -0.0000006200000000, -0.0000043400000000 ]  - [   0.0058842900000000, -0.0054347200000000,  0.0000091300000000 ]  - [   0.0032137100000000,  0.0000939600000000, -0.0000080900000000 ]  - [   0.0135090800000000,  0.0089868600000000,  0.0109760700000000 ]  - [   0.0136394100000000,  0.0050532500000000, -0.0093344200000000 ]  - [  -0.0053307700000000, -0.0141967400000000,  0.0115043900000000 ]  - [  -0.0082164600000000, -0.0031291000000000, -0.0026138400000000 ]  - [  -0.0052752000000000, -0.0142139600000000, -0.0114403700000000 ]  - [  -0.0080691400000000, -0.0030643800000000,  0.0027121600000000 ]  - [   0.0134687500000000,  0.0090203100000000, -0.0109976800000000 ]  - [   0.0136821000000000,  0.0050105300000000,  0.0091622900000000 ]- atom:   37  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0111110100000000, -0.0044937200000000, -0.0166565400000000 ]  - [  -0.0004008000000000,  0.0008022500000000,  0.0054097700000000 ]  - [   0.0008290400000000,  0.0004024200000000,  0.0053759000000000 ]  - [  -0.0044901800000000, -0.0111690000000000, -0.0167433900000000 ]  - [  -0.0111110100000000,  0.0044937200000000, -0.0166565400000000 ]  - [   0.0004008000000000, -0.0008022500000000,  0.0054097700000000 ]  - [  -0.0008290400000000, -0.0004024200000000,  0.0053759000000000 ]  - [   0.0044901800000000,  0.0111690000000000, -0.0167433900000000 ]  - [  -0.0010420100000000, -0.0006400600000000, -0.0044891100000000 ]  - [   0.0048235800000000,  0.0043500400000000,  0.0050555700000000 ]  - [  -0.0041456400000000,  0.0048407900000000,  0.0049975000000000 ]  - [   0.0008324600000000, -0.0010145800000000, -0.0045559800000000 ]  - [  -0.0698757000000000,  0.0283687200000000,  0.0774929000000000 ]  - [  -0.0003747900000000, -0.0000140500000000, -0.0070847700000000 ]  - [   0.0698757000000000, -0.0283687200000000,  0.0774929000000000 ]  - [   0.0003747900000000,  0.0000140500000000, -0.0070847700000000 ]  - [   0.0001959400000000,  0.0003787900000000, -0.0070393100000000 ]  - [   0.0272949500000000,  0.0670641800000000,  0.0764641100000000 ]  - [  -0.0001959400000000, -0.0003787900000000, -0.0070393100000000 ]  - [  -0.0272949500000000, -0.0670641800000000,  0.0764641100000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0058478700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0043356100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0045973600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0055909900000000 ]  - [   0.0022051900000000,  0.0045160400000000,  0.0078559900000000 ]  - [  -0.0001506800000000, -0.0008246400000000, -0.0060507800000000 ]  - [   0.0008128800000000, -0.0001742900000000, -0.0060948600000000 ]  - [  -0.0045033700000000,  0.0021743000000000,  0.0077602900000000 ]  - [  -0.0008128800000000,  0.0001742900000000, -0.0060948600000000 ]  - [   0.0045033700000000, -0.0021743000000000,  0.0077602900000000 ]  - [  -0.0022051900000000, -0.0045160400000000,  0.0078559900000000 ]  - [   0.0001506800000000,  0.0008246400000000, -0.0060507800000000 ]  - [   0.0010420100000000,  0.0006400600000000, -0.0044891100000000 ]  - [  -0.0048235800000000, -0.0043500400000000,  0.0050555700000000 ]  - [   0.0041456400000000, -0.0048407900000000,  0.0049975000000000 ]  - [  -0.0008324600000000,  0.0010145800000000, -0.0045559800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.3298810100000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0139281800000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0142227600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0074851200000000 ]  - [   0.0087404500000000,  0.0085443400000000,  0.0095507400000000 ]  - [  -0.0140902700000000, -0.0027088600000000,  0.0108106000000000 ]  - [   0.0027182900000000, -0.0141653900000000,  0.0108650500000000 ]  - [  -0.0086045400000000,  0.0086020900000000,  0.0096745200000000 ]  - [  -0.0027182900000000,  0.0141653900000000,  0.0108650500000000 ]  - [   0.0086045400000000, -0.0086020900000000,  0.0096745200000000 ]  - [  -0.0087404500000000, -0.0085443400000000,  0.0095507400000000 ]  - [   0.0140902700000000,  0.0027088600000000,  0.0108106000000000 ]- atom:   41  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0134975500000000, -0.0045281400000000, -0.0021845500000000 ]  - [  -0.0035664000000000, -0.0005347000000000,  0.0011287000000000 ]  - [  -0.0017002100000000, -0.0125792100000000, -0.0092338900000000 ]  - [   0.0001735200000000, -0.0028948000000000,  0.0130391900000000 ]  - [   0.0128083400000000, -0.0012978100000000, -0.0113519800000000 ]  - [   0.0037117700000000, -0.0011220500000000,  0.0151124700000000 ]  - [   0.0030459200000000,  0.0003451700000000, -0.0008724500000000 ]  - [   0.0029194900000000,  0.0001706100000000, -0.0005597300000000 ]  - [   0.0100603200000000,  0.0025064000000000,  0.0014699600000000 ]  - [   0.0056823900000000,  0.0005163800000000, -0.0001939200000000 ]  - [   0.0063523200000000,  0.0008627900000000,  0.0000302500000000 ]  - [   0.0015379600000000,  0.0004726100000000,  0.0002711700000000 ]  - [  -0.0103163600000000,  0.0005884500000000,  0.0001935700000000 ]  - [  -0.0067736500000000,  0.0000816700000000,  0.0005089700000000 ]  - [   0.0065451300000000, -0.0017702700000000, -0.0028903100000000 ]  - [   0.0023362100000000, -0.0036587500000000,  0.0031229000000000 ]  - [  -0.0065006100000000, -0.0030743100000000,  0.0000205700000000 ]  - [  -0.0029064400000000, -0.0007643200000000, -0.0008189900000000 ]  - [   0.0122391500000000, -0.0017476500000000, -0.0053731100000000 ]  - [  -0.0017017400000000, -0.0007966500000000, -0.0041077400000000 ]  - [  -0.0032181300000000,  0.0030981800000000,  0.0003080600000000 ]  - [  -0.0024737100000000,  0.0015855200000000, -0.0031507900000000 ]  - [   0.0142106400000000, -0.0028014800000000, -0.0096083300000000 ]  - [   0.0021924600000000,  0.0019827200000000, -0.0047275000000000 ]  - [  -0.0064472300000000,  0.0015775900000000,  0.0011567300000000 ]  - [  -0.0016897000000000,  0.0001082900000000,  0.0007978500000000 ]  - [   0.0005991000000000, -0.0002232500000000, -0.0006335100000000 ]  - [  -0.0024601700000000,  0.0000111400000000,  0.0050462000000000 ]  - [   0.0139384300000000,  0.0033390800000000, -0.0012242000000000 ]  - [   0.0039521200000000,  0.0012703400000000,  0.0019219100000000 ]  - [   0.0124366800000000, -0.0029212900000000,  0.0058421600000000 ]  - [   0.0010805800000000,  0.0020576900000000,  0.0041602100000000 ]  - [  -0.0008147800000000, -0.0003359000000000, -0.0021705000000000 ]  - [  -0.0019663200000000, -0.0025957200000000,  0.0030189000000000 ]  - [   0.0041899300000000, -0.0051320800000000,  0.0025096000000000 ]  - [   0.0010796600000000, -0.0024001600000000, -0.0031656000000000 ]  - [   0.0135248400000000,  0.0030483100000000,  0.0086325800000000 ]  - [   0.0136442100000000,  0.0141561900000000, -0.0140442700000000 ]  - [  -0.0081580600000000,  0.0090260400000000, -0.0085795400000000 ]  - [  -0.0053897400000000,  0.0050459500000000,  0.0026868400000000 ]  - [  -0.1289900200000000,  0.0285277000000000,  0.0204887000000000 ]  - [  -0.0062974800000000,  0.0010435500000000, -0.0013024300000000 ]  - [  -0.0031341500000000, -0.0039147800000000, -0.0037224700000000 ]  - [  -0.0014266700000000, -0.0002049900000000, -0.0005580100000000 ]  - [   0.0423826000000000,  0.0040705500000000, -0.0012040600000000 ]  - [   0.0053013800000000,  0.0002171400000000, -0.0007310700000000 ]  - [   0.0213446100000000, -0.0294414000000000,  0.0023757100000000 ]  - [   0.0021393300000000, -0.0009703400000000, -0.0014342300000000 ]- atom:   41  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0134623500000000,  0.0045339600000000,  0.0022697000000000 ]  - [   0.0035308400000000,  0.0004883600000000, -0.0011829300000000 ]  - [   0.0018557600000000,  0.0126608200000000,  0.0092365500000000 ]  - [  -0.0001313200000000,  0.0028832800000000, -0.0131284300000000 ]  - [  -0.0127786300000000,  0.0012893200000000,  0.0112733300000000 ]  - [  -0.0036660300000000,  0.0011537600000000, -0.0148909400000000 ]  - [  -0.0030898300000000, -0.0003251700000000,  0.0008389500000000 ]  - [  -0.0029498100000000, -0.0001327300000000,  0.0004985800000000 ]  - [  -0.0100869000000000, -0.0022776600000000, -0.0013445200000000 ]  - [  -0.0056940500000000, -0.0003291100000000,  0.0002827400000000 ]  - [  -0.0061376900000000, -0.0008643700000000, -0.0001094600000000 ]  - [  -0.0013217200000000, -0.0004600100000000, -0.0002919800000000 ]  - [   0.0103137400000000, -0.0007470000000000, -0.0001925500000000 ]  - [   0.0067607600000000, -0.0002817400000000, -0.0005946400000000 ]  - [  -0.0067013500000000,  0.0017869100000000,  0.0026522500000000 ]  - [  -0.0023624700000000,  0.0038888300000000, -0.0032028600000000 ]  - [   0.0066882400000000,  0.0031145500000000,  0.0000335700000000 ]  - [   0.0030794800000000,  0.0007572900000000,  0.0008899200000000 ]  - [  -0.0132718200000000,  0.0018040400000000,  0.0060969600000000 ]  - [   0.0015015900000000,  0.0008278300000000,  0.0041854700000000 ]  - [   0.0031789600000000, -0.0031488900000000, -0.0005822200000000 ]  - [   0.0024691100000000, -0.0015929700000000,  0.0028911200000000 ]  - [  -0.0138981200000000,  0.0024889500000000,  0.0093709100000000 ]  - [  -0.0021398400000000, -0.0019549900000000,  0.0049718600000000 ]  - [   0.0064221400000000, -0.0015996700000000, -0.0010786500000000 ]  - [   0.0017074900000000, -0.0001201900000000, -0.0007555300000000 ]  - [   0.0003123700000000,  0.0002315200000000,  0.0009707600000000 ]  - [   0.0024618900000000, -0.0000092100000000, -0.0050935400000000 ]  - [  -0.0138766100000000, -0.0035147400000000,  0.0012311800000000 ]  - [  -0.0039459000000000, -0.0012591100000000, -0.0020011800000000 ]  - [  -0.0130025800000000,  0.0035347200000000, -0.0062022400000000 ]  - [  -0.0011148800000000, -0.0020660900000000, -0.0041067700000000 ]  - [   0.0008696800000000,  0.0001316000000000,  0.0022259500000000 ]  - [   0.0019803700000000,  0.0024003800000000, -0.0029376500000000 ]  - [  -0.0040363200000000,  0.0052407200000000, -0.0027600100000000 ]  - [  -0.0012357700000000,  0.0023621700000000,  0.0030640000000000 ]  - [  -0.0134504000000000, -0.0031421300000000, -0.0087088000000000 ]  - [  -0.0136852100000000, -0.0142569700000000,  0.0142075200000000 ]  - [   0.0081274200000000, -0.0089853400000000,  0.0085640100000000 ]  - [   0.0052167700000000, -0.0050233800000000, -0.0027444500000000 ]  - [   0.1287874000000000, -0.0286938000000000, -0.0204815600000000 ]  - [   0.0063150900000000, -0.0010749500000000,  0.0012230400000000 ]  - [   0.0032702000000000,  0.0039404300000000,  0.0038488300000000 ]  - [   0.0014360600000000,  0.0001899400000000,  0.0006363000000000 ]  - [  -0.0423111700000000, -0.0037901700000000,  0.0012514200000000 ]  - [  -0.0052710600000000, -0.0001914500000000,  0.0008193400000000 ]  - [  -0.0214038800000000,  0.0291459100000000, -0.0024989900000000 ]  - [  -0.0021843600000000,  0.0009865800000000,  0.0013556200000000 ]- atom:   41  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0018012300000000,  0.0133155900000000,  0.0109556800000000 ]  - [   0.0005701500000000, -0.0060732100000000,  0.0064384300000000 ]  - [  -0.0104839100000000,  0.0104839100000000,  0.0109702200000000 ]  - [   0.0052205400000000, -0.0052205400000000,  0.0085532200000000 ]  - [  -0.0133155900000000, -0.0018012300000000,  0.0109556800000000 ]  - [   0.0060732100000000, -0.0005701500000000,  0.0064384300000000 ]  - [   0.0002151800000000, -0.0002151800000000,  0.0023930600000000 ]  - [  -0.0002559100000000,  0.0002559100000000, -0.0006648500000000 ]  - [  -0.0015224300000000,  0.0055359100000000,  0.0106314500000000 ]  - [  -0.0007585200000000,  0.0021826000000000, -0.0063552600000000 ]  - [  -0.0006352600000000, -0.0012299500000000,  0.0025481900000000 ]  - [  -0.0003560200000000, -0.0014899800000000, -0.0051947000000000 ]  - [   0.0012299500000000,  0.0006352600000000,  0.0025481900000000 ]  - [   0.0014899800000000,  0.0003560200000000, -0.0051947000000000 ]  - [  -0.0040406700000000, -0.0034669000000000,  0.0048937300000000 ]  - [   0.0005417800000000,  0.0033377800000000, -0.0056749800000000 ]  - [   0.0025253000000000,  0.0038613000000000,  0.0018255500000000 ]  - [  -0.0020433100000000, -0.0018630000000000, -0.0038402300000000 ]  - [  -0.0055359100000000,  0.0015224300000000,  0.0106314500000000 ]  - [  -0.0021826000000000,  0.0007585200000000, -0.0063552600000000 ]  - [   0.0027226000000000, -0.0027226000000000,  0.0029792300000000 ]  - [  -0.0011797200000000,  0.0011797200000000, -0.0040474000000000 ]  - [  -0.0057404300000000,  0.0057404300000000,  0.0230120700000000 ]  - [  -0.0027563700000000,  0.0027563700000000, -0.0097378600000000 ]  - [   0.0000695500000000, -0.0000695500000000,  0.0033887900000000 ]  - [  -0.0001426400000000,  0.0001426400000000, -0.0030190000000000 ]  - [  -0.0030858500000000,  0.0002411900000000,  0.0121144100000000 ]  - [   0.0019511200000000,  0.0004082400000000, -0.0083726000000000 ]  - [  -0.0002411900000000,  0.0030858500000000,  0.0121144100000000 ]  - [  -0.0004082400000000, -0.0019511200000000, -0.0083726000000000 ]  - [   0.0043310000000000, -0.0043310000000000,  0.0167357100000000 ]  - [   0.0015036700000000, -0.0015036700000000, -0.0078724900000000 ]  - [  -0.0038613000000000, -0.0025253000000000,  0.0018255500000000 ]  - [   0.0018630000000000,  0.0020433100000000, -0.0038402300000000 ]  - [   0.0034669000000000,  0.0040406700000000,  0.0048937300000000 ]  - [  -0.0033377800000000, -0.0005417800000000, -0.0056749800000000 ]  - [   0.0109538000000000,  0.0026340100000000,  0.0096274500000000 ]  - [  -0.0092878900000000, -0.0114841600000000,  0.0108214600000000 ]  - [  -0.0026340100000000, -0.0109538000000000,  0.0096274500000000 ]  - [   0.0114841600000000,  0.0092878900000000,  0.0108214600000000 ]  - [   0.0205239100000000, -0.0205239100000000, -0.1082844300000000 ]  - [  -0.0012317500000000,  0.0012317500000000,  0.0177943200000000 ]  - [  -0.0038015800000000, -0.0012697900000000, -0.0199602000000000 ]  - [  -0.0006387800000000, -0.0008070300000000,  0.0096639100000000 ]  - [   0.0012697900000000,  0.0038015800000000, -0.0199602000000000 ]  - [   0.0008070300000000,  0.0006387800000000,  0.0096639100000000 ]  - [  -0.0025156800000000,  0.0025156800000000, -0.0230965000000000 ]  - [   0.0013795000000000, -0.0013795000000000,  0.0106513300000000 ]- atom:   41  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0018408200000000, -0.0134858000000000, -0.0109499100000000 ]  - [  -0.0005989700000000,  0.0059471500000000, -0.0064106500000000 ]  - [   0.0104067000000000, -0.0104067000000000, -0.0109872300000000 ]  - [  -0.0052607600000000,  0.0052607600000000, -0.0085811800000000 ]  - [   0.0134858000000000,  0.0018408200000000, -0.0109499100000000 ]  - [  -0.0059471500000000,  0.0005989700000000, -0.0064106500000000 ]  - [  -0.0002382400000000,  0.0002382400000000, -0.0024604700000000 ]  - [   0.0002310700000000, -0.0002310700000000,  0.0006405600000000 ]  - [   0.0014736700000000, -0.0048559000000000, -0.0102387600000000 ]  - [   0.0007648800000000, -0.0020310200000000,  0.0064341000000000 ]  - [   0.0008412900000000,  0.0012368100000000, -0.0026511800000000 ]  - [   0.0005615100000000,  0.0014929000000000,  0.0051511100000000 ]  - [  -0.0012368100000000, -0.0008412900000000, -0.0026511800000000 ]  - [  -0.0014929000000000, -0.0005615100000000,  0.0051511100000000 ]  - [   0.0039656200000000,  0.0034884600000000, -0.0051645500000000 ]  - [  -0.0005264900000000, -0.0031153500000000,  0.0056060100000000 ]  - [  -0.0023195100000000, -0.0038503200000000, -0.0017310500000000 ]  - [   0.0022407100000000,  0.0018753500000000,  0.0038922500000000 ]  - [   0.0048559000000000, -0.0014736700000000, -0.0102387600000000 ]  - [   0.0020310200000000, -0.0007648800000000,  0.0064341000000000 ]  - [  -0.0027182200000000,  0.0027182200000000, -0.0032070900000000 ]  - [   0.0011865700000000, -0.0011865700000000,  0.0037658400000000 ]  - [   0.0063189200000000, -0.0063189200000000, -0.0234745400000000 ]  - [   0.0027037100000000, -0.0027037100000000,  0.0099384600000000 ]  - [  -0.0000679400000000,  0.0000679400000000, -0.0033594300000000 ]  - [   0.0001538700000000, -0.0001538700000000,  0.0030807900000000 ]  - [   0.0032994900000000, -0.0002903000000000, -0.0120322000000000 ]  - [  -0.0019855100000000, -0.0004211600000000,  0.0083180100000000 ]  - [   0.0002903000000000, -0.0032994900000000, -0.0120322000000000 ]  - [   0.0004211600000000,  0.0019855100000000,  0.0083180100000000 ]  - [  -0.0046724200000000,  0.0046724200000000, -0.0168338000000000 ]  - [  -0.0014952100000000,  0.0014952100000000,  0.0079255000000000 ]  - [   0.0038503200000000,  0.0023195100000000, -0.0017310500000000 ]  - [  -0.0018753500000000, -0.0022407100000000,  0.0038922500000000 ]  - [  -0.0034884600000000, -0.0039656200000000, -0.0051645500000000 ]  - [   0.0031153500000000,  0.0005264900000000,  0.0056060100000000 ]  - [  -0.0110210500000000, -0.0026899100000000, -0.0096021400000000 ]  - [   0.0092030600000000,  0.0114667100000000, -0.0108504400000000 ]  - [   0.0026899100000000,  0.0110210500000000, -0.0096021400000000 ]  - [  -0.0114667100000000, -0.0092030600000000, -0.0108504400000000 ]  - [  -0.0204757200000000,  0.0204757200000000,  0.1086336600000000 ]  - [   0.0012697900000000, -0.0012697900000000, -0.0178954300000000 ]  - [   0.0037948400000000,  0.0012128300000000,  0.0200579600000000 ]  - [   0.0005819200000000,  0.0007656700000000, -0.0095745800000000 ]  - [  -0.0012128300000000, -0.0037948400000000,  0.0200579600000000 ]  - [  -0.0007656700000000, -0.0005819200000000, -0.0095745800000000 ]  - [   0.0023680300000000, -0.0023680300000000,  0.0230342600000000 ]  - [  -0.0013987000000000,  0.0013987000000000, -0.0107278500000000 ]