# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/64bd0efe-2eb1-484f-9acf-c11f982cd4c4/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 K2(ReSe2)3 / C2/c (15) / materials id 541060](https://mdr.nims.go.jp/datasets/0d0ba2ae-2df0-4c4d-9ea8-c642a4a1490f) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "C2/c" number: 15 Hall_symbol: "-C 2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.597881435000000, -5.016906385000000, 0.014273550000000 ] # a - [ 8.597881435000000, 5.016906385000000, 0.014273550000000 ] # b - [ -0.314605000000000, 0.000000000000000, 12.271999510000001 ] # c points: - symbol: Re # 1 coordinates: [ 0.686609850000000, 0.995361050000000, 0.026467850000000 ] mass: 186.207000 - symbol: Re # 2 coordinates: [ 0.004638950000000, 0.313390150000000, 0.473532150000000 ] mass: 186.207000 - symbol: Re # 3 coordinates: [ 0.313390150000000, 0.004638950000000, 0.973532150000000 ] mass: 186.207000 - symbol: Re # 4 coordinates: [ 0.995361050000000, 0.686609850000000, 0.526467850000000 ] mass: 186.207000 - symbol: Re # 5 coordinates: [ 0.528967810000000, 0.886479050000000, 0.126818260000000 ] mass: 186.207000 - symbol: Re # 6 coordinates: [ 0.113520950000000, 0.471032190000000, 0.373181740000000 ] mass: 186.207000 - symbol: Re # 7 coordinates: [ 0.471032190000000, 0.113520950000000, 0.873181740000000 ] mass: 186.207000 - symbol: Re # 8 coordinates: [ 0.886479050000000, 0.528967810000000, 0.626818260000000 ] mass: 186.207000 - symbol: Re # 9 coordinates: [ 0.398056840000000, 0.183733160000000, 0.081680530000000 ] mass: 186.207000 - symbol: Re # 10 coordinates: [ 0.816266840000000, 0.601943160000000, 0.418319470000000 ] mass: 186.207000 - symbol: Re # 11 coordinates: [ 0.601943160000000, 0.816266840000000, 0.918319470000000 ] mass: 186.207000 - symbol: Re # 12 coordinates: [ 0.183733160000000, 0.398056840000000, 0.581680530000000 ] mass: 186.207000 - symbol: K # 13 coordinates: [ 0.607140570000000, 0.392859430000000, 0.250000000000000 ] mass: 39.098300 - symbol: K # 14 coordinates: [ 0.392859430000000, 0.607140570000000, 0.750000000000000 ] mass: 39.098300 - symbol: K # 15 coordinates: [ 0.218878970000000, 0.781121030000000, 0.250000000000000 ] mass: 39.098300 - symbol: K # 16 coordinates: [ 0.781121030000000, 0.218878970000000, 0.750000000000000 ] mass: 39.098300 - symbol: K # 17 coordinates: [ 0.351305350000000, 0.875457950000000, 0.517090850000000 ] mass: 39.098300 - symbol: K # 18 coordinates: [ 0.124542050000000, 0.648694650000000, 0.982909150000000 ] mass: 39.098300 - symbol: K # 19 coordinates: [ 0.648694650000000, 0.124542050000000, 0.482909150000000 ] mass: 39.098300 - symbol: K # 20 coordinates: [ 0.875457950000000, 0.351305350000000, 0.017090850000000 ] mass: 39.098300 - symbol: Se # 21 coordinates: [ 0.750516020000000, 0.925099180000000, 0.828904250000000 ] mass: 78.960000 - symbol: Se # 22 coordinates: [ 0.074900820000000, 0.249483980000000, 0.671095750000000 ] mass: 78.960000 - symbol: Se # 23 coordinates: [ 0.249483980000000, 0.074900820000000, 0.171095750000000 ] mass: 78.960000 - symbol: Se # 24 coordinates: [ 0.925099180000000, 0.750516020000000, 0.328904250000000 ] mass: 78.960000 - symbol: Se # 25 coordinates: [ 0.288643720000000, 0.198186580000000, 0.428701550000000 ] mass: 78.960000 - symbol: Se # 26 coordinates: [ 0.801813420000000, 0.711356280000000, 0.071298450000000 ] mass: 78.960000 - symbol: Se # 27 coordinates: [ 0.711356280000000, 0.801813420000000, 0.571298450000000 ] mass: 78.960000 - symbol: Se # 28 coordinates: [ 0.198186580000000, 0.288643720000000, 0.928701550000000 ] mass: 78.960000 - symbol: Se # 29 coordinates: [ 0.389151860000000, 0.940838300000000, 0.776641440000000 ] mass: 78.960000 - symbol: Se # 30 coordinates: [ 0.059161700000000, 0.610848140000000, 0.723358560000000 ] mass: 78.960000 - symbol: Se # 31 coordinates: [ 0.610848140000000, 0.059161700000000, 0.223358560000000 ] mass: 78.960000 - symbol: Se # 32 coordinates: [ 0.940838300000000, 0.389151860000000, 0.276641440000000 ] mass: 78.960000 - symbol: Se # 33 coordinates: [ 0.446984720000000, 0.717651080000000, 0.018941690000000 ] mass: 78.960000 - symbol: Se # 34 coordinates: [ 0.282348920000000, 0.553015280000000, 0.481058310000000 ] mass: 78.960000 - symbol: Se # 35 coordinates: [ 0.553015280000000, 0.282348920000000, 0.981058310000000 ] mass: 78.960000 - symbol: Se # 36 coordinates: [ 0.717651080000000, 0.446984720000000, 0.518941690000000 ] mass: 78.960000 - symbol: Se # 37 coordinates: [ 0.003420680000000, 0.933035320000000, 0.583028490000000 ] mass: 78.960000 - symbol: Se # 38 coordinates: [ 0.066964680000000, 0.996579320000000, 0.916971510000000 ] mass: 78.960000 - symbol: Se # 39 coordinates: [ 0.996579320000000, 0.066964680000000, 0.416971510000000 ] mass: 78.960000 - symbol: Se # 40 coordinates: [ 0.933035320000000, 0.003420680000000, 0.083028490000000 ] mass: 78.960000 - symbol: Se # 41 coordinates: [ 0.559549540000000, 0.734005700000000, 0.304696150000000 ] mass: 78.960000 - symbol: Se # 42 coordinates: [ 0.265994300000000, 0.440450460000000, 0.195303850000000 ] mass: 78.960000 - symbol: Se # 43 coordinates: [ 0.440450460000000, 0.265994300000000, 0.695303850000000 ] mass: 78.960000 - symbol: Se # 44 coordinates: [ 0.734005700000000, 0.559549540000000, 0.804696150000000 ] mass: 78.960000 reciprocal_lattice: # without 2pi - [ 0.058151385921473, -0.099663011750617, 0.001490769026915 ] # a* - [ 0.058151385921473, 0.099663011750617, 0.001490769026915 ] # b* - [ -0.000135271634234, 0.000000000000000, 0.081482845729637 ] # c*unit_cell: lattice: - [ 17.195762869999999, 0.000000000000000, 0.028547100000000 ] # a - [ 0.000000000000000, 10.033812770000001, 0.000000000000000 ] # b - [ -0.314605000000000, 0.000000000000000, 12.271999510000001 ] # c points: - symbol: Re # 1 coordinates: [ 0.840985450000000, 0.154375600000000, 0.026467850000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 2 coordinates: [ 0.159014550000000, 0.154375600000000, 0.473532150000000 ] mass: 186.207000 reduced_to: 2 - symbol: Re # 3 coordinates: [ 0.159014550000000, 0.845624400000000, 0.973532150000000 ] mass: 186.207000 reduced_to: 3 - symbol: Re # 4 coordinates: [ 0.840985450000000, 0.845624400000000, 0.526467850000000 ] mass: 186.207000 reduced_to: 4 - symbol: Re # 5 coordinates: [ 0.707723430000000, 0.178755620000000, 0.126818260000000 ] mass: 186.207000 reduced_to: 5 - symbol: Re # 6 coordinates: [ 0.292276570000000, 0.178755620000000, 0.373181740000000 ] mass: 186.207000 reduced_to: 6 - symbol: Re # 7 coordinates: [ 0.292276570000000, 0.821244380000000, 0.873181740000000 ] mass: 186.207000 reduced_to: 7 - symbol: Re # 8 coordinates: [ 0.707723430000000, 0.821244380000000, 0.626818260000000 ] mass: 186.207000 reduced_to: 8 - symbol: Re # 9 coordinates: [ 0.290895000000000, 0.892838160000000, 0.081680530000000 ] mass: 186.207000 reduced_to: 9 - symbol: Re # 10 coordinates: [ 0.709105000000000, 0.892838160000000, 0.418319470000000 ] mass: 186.207000 reduced_to: 10 - symbol: Re # 11 coordinates: [ 0.709105000000000, 0.107161840000000, 0.918319470000000 ] mass: 186.207000 reduced_to: 11 - symbol: Re # 12 coordinates: [ 0.290895000000000, 0.107161840000000, 0.581680530000000 ] mass: 186.207000 reduced_to: 12 - symbol: Re # 13 coordinates: [ 0.340985450000000, 0.654375600000000, 0.026467850000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 14 coordinates: [ 0.659014550000000, 0.654375600000000, 0.473532150000000 ] mass: 186.207000 reduced_to: 2 - symbol: Re # 15 coordinates: [ 0.659014550000000, 0.345624400000000, 0.973532150000000 ] mass: 186.207000 reduced_to: 3 - symbol: Re # 16 coordinates: [ 0.340985450000000, 0.345624400000000, 0.526467850000000 ] mass: 186.207000 reduced_to: 4 - symbol: Re # 17 coordinates: [ 0.207723430000000, 0.678755620000000, 0.126818260000000 ] mass: 186.207000 reduced_to: 5 - symbol: Re # 18 coordinates: [ 0.792276570000000, 0.678755620000000, 0.373181740000000 ] mass: 186.207000 reduced_to: 6 - symbol: Re # 19 coordinates: [ 0.792276570000000, 0.321244380000000, 0.873181740000000 ] mass: 186.207000 reduced_to: 7 - symbol: Re # 20 coordinates: [ 0.207723430000000, 0.321244380000000, 0.626818260000000 ] mass: 186.207000 reduced_to: 8 - symbol: Re # 21 coordinates: [ 0.790895000000000, 0.392838160000000, 0.081680530000000 ] mass: 186.207000 reduced_to: 9 - symbol: Re # 22 coordinates: [ 0.209105000000000, 0.392838160000000, 0.418319470000000 ] mass: 186.207000 reduced_to: 10 - symbol: Re # 23 coordinates: [ 0.209105000000000, 0.607161840000000, 0.918319470000000 ] mass: 186.207000 reduced_to: 11 - symbol: Re # 24 coordinates: [ 0.790895000000000, 0.607161840000000, 0.581680530000000 ] mass: 186.207000 reduced_to: 12 - symbol: K # 25 coordinates: [ 0.500000000000000, 0.892859430000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 26 coordinates: [ 0.500000000000000, 0.107140570000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 26 - symbol: K # 27 coordinates: [ 0.500000000000000, 0.281121030000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 27 - symbol: K # 28 coordinates: [ 0.500000000000000, 0.718878970000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 28 - symbol: K # 29 coordinates: [ 0.613381650000000, 0.262076300000000, 0.517090850000000 ] mass: 39.098300 reduced_to: 29 - symbol: K # 30 coordinates: [ 0.386618350000000, 0.262076300000000, 0.982909150000000 ] mass: 39.098300 reduced_to: 30 - symbol: K # 31 coordinates: [ 0.386618350000000, 0.737923700000000, 0.482909150000000 ] mass: 39.098300 reduced_to: 31 - symbol: K # 32 coordinates: [ 0.613381650000000, 0.737923700000000, 0.017090850000000 ] mass: 39.098300 reduced_to: 32 - symbol: K # 33 coordinates: [ 0.000000000000000, 0.392859430000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 34 coordinates: [ 0.000000000000000, 0.607140570000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 26 - symbol: K # 35 coordinates: [ 0.000000000000000, 0.781121030000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 27 - symbol: K # 36 coordinates: [ 0.000000000000000, 0.218878970000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 28 - symbol: K # 37 coordinates: [ 0.113381650000000, 0.762076300000000, 0.517090850000000 ] mass: 39.098300 reduced_to: 29 - symbol: K # 38 coordinates: [ 0.886618350000000, 0.762076300000000, 0.982909150000000 ] mass: 39.098300 reduced_to: 30 - symbol: K # 39 coordinates: [ 0.886618350000000, 0.237923700000000, 0.482909150000000 ] mass: 39.098300 reduced_to: 31 - symbol: K # 40 coordinates: [ 0.113381650000000, 0.237923700000000, 0.017090850000000 ] mass: 39.098300 reduced_to: 32 - symbol: Se # 41 coordinates: [ 0.837807600000000, 0.087291580000000, 0.828904250000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 42 coordinates: [ 0.162192400000000, 0.087291580000000, 0.671095750000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 43 coordinates: [ 0.162192400000000, 0.912708420000000, 0.171095750000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 44 coordinates: [ 0.837807600000000, 0.912708420000000, 0.328904250000000 ] mass: 78.960000 reduced_to: 44 - symbol: Se # 45 coordinates: [ 0.243415150000000, 0.954771430000000, 0.428701550000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 46 coordinates: [ 0.756584850000000, 0.954771430000000, 0.071298450000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 47 coordinates: [ 0.756584850000000, 0.045228570000000, 0.571298450000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 48 coordinates: [ 0.243415150000000, 0.045228570000000, 0.928701550000000 ] mass: 78.960000 reduced_to: 48 - symbol: Se # 49 coordinates: [ 0.664995080000000, 0.275843220000000, 0.776641440000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 50 coordinates: [ 0.335004920000000, 0.275843220000000, 0.723358560000000 ] mass: 78.960000 reduced_to: 50 - symbol: Se # 51 coordinates: [ 0.335004920000000, 0.724156780000000, 0.223358560000000 ] mass: 78.960000 reduced_to: 51 - symbol: Se # 52 coordinates: [ 0.664995080000000, 0.724156780000000, 0.276641440000000 ] mass: 78.960000 reduced_to: 52 - symbol: Se # 53 coordinates: [ 0.582317900000000, 0.135333180000000, 0.018941690000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 54 coordinates: [ 0.417682100000000, 0.135333180000000, 0.481058310000000 ] mass: 78.960000 reduced_to: 54 - symbol: Se # 55 coordinates: [ 0.417682100000000, 0.864666820000000, 0.981058310000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 56 coordinates: [ 0.582317900000000, 0.864666820000000, 0.518941690000000 ] mass: 78.960000 reduced_to: 56 - symbol: Se # 57 coordinates: [ 0.468228000000000, 0.464807320000000, 0.583028490000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 58 coordinates: [ 0.531772000000000, 0.464807320000000, 0.916971510000000 ] mass: 78.960000 reduced_to: 58 - symbol: Se # 59 coordinates: [ 0.531772000000000, 0.535192680000000, 0.416971510000000 ] mass: 78.960000 reduced_to: 59 - symbol: Se # 60 coordinates: [ 0.468228000000000, 0.535192680000000, 0.083028490000000 ] mass: 78.960000 reduced_to: 60 - symbol: Se # 61 coordinates: [ 0.646777620000000, 0.087228080000000, 0.304696150000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 62 coordinates: [ 0.353222380000000, 0.087228080000000, 0.195303850000000 ] mass: 78.960000 reduced_to: 62 - symbol: Se # 63 coordinates: [ 0.353222380000000, 0.912771920000000, 0.695303850000000 ] mass: 78.960000 reduced_to: 63 - symbol: Se # 64 coordinates: [ 0.646777620000000, 0.912771920000000, 0.804696150000000 ] mass: 78.960000 reduced_to: 64 - symbol: Se # 65 coordinates: [ 0.337807600000000, 0.587291580000000, 0.828904250000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 66 coordinates: [ 0.662192400000000, 0.587291580000000, 0.671095750000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 67 coordinates: [ 0.662192400000000, 0.412708420000000, 0.171095750000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 68 coordinates: [ 0.337807600000000, 0.412708420000000, 0.328904250000000 ] mass: 78.960000 reduced_to: 44 - symbol: Se # 69 coordinates: [ 0.743415150000000, 0.454771430000000, 0.428701550000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 70 coordinates: [ 0.256584850000000, 0.454771430000000, 0.071298450000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 71 coordinates: [ 0.256584850000000, 0.545228570000000, 0.571298450000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 72 coordinates: [ 0.743415150000000, 0.545228570000000, 0.928701550000000 ] mass: 78.960000 reduced_to: 48 - symbol: Se # 73 coordinates: [ 0.164995080000000, 0.775843220000000, 0.776641440000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 74 coordinates: [ 0.835004920000000, 0.775843220000000, 0.723358560000000 ] mass: 78.960000 reduced_to: 50 - symbol: Se # 75 coordinates: [ 0.835004920000000, 0.224156780000000, 0.223358560000000 ] mass: 78.960000 reduced_to: 51 - symbol: Se # 76 coordinates: [ 0.164995080000000, 0.224156780000000, 0.276641440000000 ] mass: 78.960000 reduced_to: 52 - symbol: Se # 77 coordinates: [ 0.082317900000000, 0.635333180000000, 0.018941690000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 78 coordinates: [ 0.917682100000000, 0.635333180000000, 0.481058310000000 ] mass: 78.960000 reduced_to: 54 - symbol: Se # 79 coordinates: [ 0.917682100000000, 0.364666820000000, 0.981058310000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 80 coordinates: [ 0.082317900000000, 0.364666820000000, 0.518941690000000 ] mass: 78.960000 reduced_to: 56 - symbol: Se # 81 coordinates: [ 0.968228000000000, 0.964807320000000, 0.583028490000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 82 coordinates: [ 0.031772000000000, 0.964807320000000, 0.916971510000000 ] mass: 78.960000 reduced_to: 58 - symbol: Se # 83 coordinates: [ 0.031772000000000, 0.035192680000000, 0.416971510000000 ] mass: 78.960000 reduced_to: 59 - symbol: Se # 84 coordinates: [ 0.968228000000000, 0.035192680000000, 0.083028490000000 ] mass: 78.960000 reduced_to: 60 - symbol: Se # 85 coordinates: [ 0.146777620000000, 0.587228080000000, 0.304696150000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 86 coordinates: [ 0.853222380000000, 0.587228080000000, 0.195303850000000 ] mass: 78.960000 reduced_to: 62 - symbol: Se # 87 coordinates: [ 0.853222380000000, 0.412771920000000, 0.695303850000000 ] mass: 78.960000 reduced_to: 63 - symbol: Se # 88 coordinates: [ 0.146777620000000, 0.412771920000000, 0.804696150000000 ] mass: 78.960000 reduced_to: 64supercell: lattice: - [ 17.195762869999999, 0.000000000000000, 0.028547100000000 ] # a - [ 0.000000000000000, 10.033812770000001, 0.000000000000000 ] # b - [ -0.314605000000000, 0.000000000000000, 12.271999510000001 ] # c points: - symbol: Re # 1 coordinates: [ 0.840985450000000, 0.154375600000000, 0.026467850000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 2 coordinates: [ 0.159014550000000, 0.154375600000000, 0.473532150000000 ] mass: 186.207000 reduced_to: 2 - symbol: Re # 3 coordinates: [ 0.159014550000000, 0.845624400000000, 0.973532150000000 ] mass: 186.207000 reduced_to: 3 - symbol: Re # 4 coordinates: [ 0.840985450000000, 0.845624400000000, 0.526467850000000 ] mass: 186.207000 reduced_to: 4 - symbol: Re # 5 coordinates: [ 0.707723430000000, 0.178755620000000, 0.126818260000000 ] mass: 186.207000 reduced_to: 5 - symbol: Re # 6 coordinates: [ 0.292276570000000, 0.178755620000000, 0.373181740000000 ] mass: 186.207000 reduced_to: 6 - symbol: Re # 7 coordinates: [ 0.292276570000000, 0.821244380000000, 0.873181740000000 ] mass: 186.207000 reduced_to: 7 - symbol: Re # 8 coordinates: [ 0.707723430000000, 0.821244380000000, 0.626818260000000 ] mass: 186.207000 reduced_to: 8 - symbol: Re # 9 coordinates: [ 0.290895000000000, 0.892838160000000, 0.081680530000000 ] mass: 186.207000 reduced_to: 9 - symbol: Re # 10 coordinates: [ 0.709105000000000, 0.892838160000000, 0.418319470000000 ] mass: 186.207000 reduced_to: 10 - symbol: Re # 11 coordinates: [ 0.709105000000000, 0.107161840000000, 0.918319470000000 ] mass: 186.207000 reduced_to: 11 - symbol: Re # 12 coordinates: [ 0.290895000000000, 0.107161840000000, 0.581680530000000 ] mass: 186.207000 reduced_to: 12 - symbol: Re # 13 coordinates: [ 0.340985450000000, 0.654375600000000, 0.026467850000000 ] mass: 186.207000 reduced_to: 1 - symbol: Re # 14 coordinates: [ 0.659014550000000, 0.654375600000000, 0.473532150000000 ] mass: 186.207000 reduced_to: 2 - symbol: Re # 15 coordinates: [ 0.659014550000000, 0.345624400000000, 0.973532150000000 ] mass: 186.207000 reduced_to: 3 - symbol: Re # 16 coordinates: [ 0.340985450000000, 0.345624400000000, 0.526467850000000 ] mass: 186.207000 reduced_to: 4 - symbol: Re # 17 coordinates: [ 0.207723430000000, 0.678755620000000, 0.126818260000000 ] mass: 186.207000 reduced_to: 5 - symbol: Re # 18 coordinates: [ 0.792276570000000, 0.678755620000000, 0.373181740000000 ] mass: 186.207000 reduced_to: 6 - symbol: Re # 19 coordinates: [ 0.792276570000000, 0.321244380000000, 0.873181740000000 ] mass: 186.207000 reduced_to: 7 - symbol: Re # 20 coordinates: [ 0.207723430000000, 0.321244380000000, 0.626818260000000 ] mass: 186.207000 reduced_to: 8 - symbol: Re # 21 coordinates: [ 0.790895000000000, 0.392838160000000, 0.081680530000000 ] mass: 186.207000 reduced_to: 9 - symbol: Re # 22 coordinates: [ 0.209105000000000, 0.392838160000000, 0.418319470000000 ] mass: 186.207000 reduced_to: 10 - symbol: Re # 23 coordinates: [ 0.209105000000000, 0.607161840000000, 0.918319470000000 ] mass: 186.207000 reduced_to: 11 - symbol: Re # 24 coordinates: [ 0.790895000000000, 0.607161840000000, 0.581680530000000 ] mass: 186.207000 reduced_to: 12 - symbol: K # 25 coordinates: [ 0.500000000000000, 0.892859430000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 26 coordinates: [ 0.500000000000000, 0.107140570000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 26 - symbol: K # 27 coordinates: [ 0.500000000000000, 0.281121030000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 27 - symbol: K # 28 coordinates: [ 0.500000000000000, 0.718878970000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 28 - symbol: K # 29 coordinates: [ 0.613381650000000, 0.262076300000000, 0.517090850000000 ] mass: 39.098300 reduced_to: 29 - symbol: K # 30 coordinates: [ 0.386618350000000, 0.262076300000000, 0.982909150000000 ] mass: 39.098300 reduced_to: 30 - symbol: K # 31 coordinates: [ 0.386618350000000, 0.737923700000000, 0.482909150000000 ] mass: 39.098300 reduced_to: 31 - symbol: K # 32 coordinates: [ 0.613381650000000, 0.737923700000000, 0.017090850000000 ] mass: 39.098300 reduced_to: 32 - symbol: K # 33 coordinates: [ 0.000000000000000, 0.392859430000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 34 coordinates: [ 0.000000000000000, 0.607140570000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 26 - symbol: K # 35 coordinates: [ 0.000000000000000, 0.781121030000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 27 - symbol: K # 36 coordinates: [ 0.000000000000000, 0.218878970000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 28 - symbol: K # 37 coordinates: [ 0.113381650000000, 0.762076300000000, 0.517090850000000 ] mass: 39.098300 reduced_to: 29 - symbol: K # 38 coordinates: [ 0.886618350000000, 0.762076300000000, 0.982909150000000 ] mass: 39.098300 reduced_to: 30 - symbol: K # 39 coordinates: [ 0.886618350000000, 0.237923700000000, 0.482909150000000 ] mass: 39.098300 reduced_to: 31 - symbol: K # 40 coordinates: [ 0.113381650000000, 0.237923700000000, 0.017090850000000 ] mass: 39.098300 reduced_to: 32 - symbol: Se # 41 coordinates: [ 0.837807600000000, 0.087291580000000, 0.828904250000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 42 coordinates: [ 0.162192400000000, 0.087291580000000, 0.671095750000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 43 coordinates: [ 0.162192400000000, 0.912708420000000, 0.171095750000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 44 coordinates: [ 0.837807600000000, 0.912708420000000, 0.328904250000000 ] mass: 78.960000 reduced_to: 44 - symbol: Se # 45 coordinates: [ 0.243415150000000, 0.954771430000000, 0.428701550000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 46 coordinates: [ 0.756584850000000, 0.954771430000000, 0.071298450000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 47 coordinates: [ 0.756584850000000, 0.045228570000000, 0.571298450000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 48 coordinates: [ 0.243415150000000, 0.045228570000000, 0.928701550000000 ] mass: 78.960000 reduced_to: 48 - symbol: Se # 49 coordinates: [ 0.664995080000000, 0.275843220000000, 0.776641440000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 50 coordinates: [ 0.335004920000000, 0.275843220000000, 0.723358560000000 ] mass: 78.960000 reduced_to: 50 - symbol: Se # 51 coordinates: [ 0.335004920000000, 0.724156780000000, 0.223358560000000 ] mass: 78.960000 reduced_to: 51 - symbol: Se # 52 coordinates: [ 0.664995080000000, 0.724156780000000, 0.276641440000000 ] mass: 78.960000 reduced_to: 52 - symbol: Se # 53 coordinates: [ 0.582317900000000, 0.135333180000000, 0.018941690000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 54 coordinates: [ 0.417682100000000, 0.135333180000000, 0.481058310000000 ] mass: 78.960000 reduced_to: 54 - symbol: Se # 55 coordinates: [ 0.417682100000000, 0.864666820000000, 0.981058310000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 56 coordinates: [ 0.582317900000000, 0.864666820000000, 0.518941690000000 ] mass: 78.960000 reduced_to: 56 - symbol: Se # 57 coordinates: [ 0.468228000000000, 0.464807320000000, 0.583028490000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 58 coordinates: [ 0.531772000000000, 0.464807320000000, 0.916971510000000 ] mass: 78.960000 reduced_to: 58 - symbol: Se # 59 coordinates: [ 0.531772000000000, 0.535192680000000, 0.416971510000000 ] mass: 78.960000 reduced_to: 59 - symbol: Se # 60 coordinates: [ 0.468228000000000, 0.535192680000000, 0.083028490000000 ] mass: 78.960000 reduced_to: 60 - symbol: Se # 61 coordinates: [ 0.646777620000000, 0.087228080000000, 0.304696150000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 62 coordinates: [ 0.353222380000000, 0.087228080000000, 0.195303850000000 ] mass: 78.960000 reduced_to: 62 - symbol: Se # 63 coordinates: [ 0.353222380000000, 0.912771920000000, 0.695303850000000 ] mass: 78.960000 reduced_to: 63 - symbol: Se # 64 coordinates: [ 0.646777620000000, 0.912771920000000, 0.804696150000000 ] mass: 78.960000 reduced_to: 64 - symbol: Se # 65 coordinates: [ 0.337807600000000, 0.587291580000000, 0.828904250000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 66 coordinates: [ 0.662192400000000, 0.587291580000000, 0.671095750000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 67 coordinates: [ 0.662192400000000, 0.412708420000000, 0.171095750000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 68 coordinates: [ 0.337807600000000, 0.412708420000000, 0.328904250000000 ] mass: 78.960000 reduced_to: 44 - symbol: Se # 69 coordinates: [ 0.743415150000000, 0.454771430000000, 0.428701550000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 70 coordinates: [ 0.256584850000000, 0.454771430000000, 0.071298450000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 71 coordinates: [ 0.256584850000000, 0.545228570000000, 0.571298450000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 72 coordinates: [ 0.743415150000000, 0.545228570000000, 0.928701550000000 ] mass: 78.960000 reduced_to: 48 - symbol: Se # 73 coordinates: [ 0.164995080000000, 0.775843220000000, 0.776641440000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 74 coordinates: [ 0.835004920000000, 0.775843220000000, 0.723358560000000 ] mass: 78.960000 reduced_to: 50 - symbol: Se # 75 coordinates: [ 0.835004920000000, 0.224156780000000, 0.223358560000000 ] mass: 78.960000 reduced_to: 51 - symbol: Se # 76 coordinates: [ 0.164995080000000, 0.224156780000000, 0.276641440000000 ] mass: 78.960000 reduced_to: 52 - symbol: Se # 77 coordinates: [ 0.082317900000000, 0.635333180000000, 0.018941690000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 78 coordinates: [ 0.917682100000000, 0.635333180000000, 0.481058310000000 ] mass: 78.960000 reduced_to: 54 - symbol: Se # 79 coordinates: [ 0.917682100000000, 0.364666820000000, 0.981058310000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 80 coordinates: [ 0.082317900000000, 0.364666820000000, 0.518941690000000 ] mass: 78.960000 reduced_to: 56 - symbol: Se # 81 coordinates: [ 0.968228000000000, 0.964807320000000, 0.583028490000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 82 coordinates: [ 0.031772000000000, 0.964807320000000, 0.916971510000000 ] mass: 78.960000 reduced_to: 58 - symbol: Se # 83 coordinates: [ 0.031772000000000, 0.035192680000000, 0.416971510000000 ] mass: 78.960000 reduced_to: 59 - symbol: Se # 84 coordinates: [ 0.968228000000000, 0.035192680000000, 0.083028490000000 ] mass: 78.960000 reduced_to: 60 - symbol: Se # 85 coordinates: [ 0.146777620000000, 0.587228080000000, 0.304696150000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 86 coordinates: [ 0.853222380000000, 0.587228080000000, 0.195303850000000 ] mass: 78.960000 reduced_to: 62 - symbol: Se # 87 coordinates: [ 0.853222380000000, 0.412771920000000, 0.695303850000000 ] mass: 78.960000 reduced_to: 63 - symbol: Se # 88 coordinates: [ 0.146777620000000, 0.412771920000000, 0.804696150000000 ] mass: 78.960000 reduced_to: 64displacements:- atom: 1 displacement: [ 0.0099999862199687, 0.0000000000000000, 0.0000166012179150 ] forces: - [ -0.2840220200000000, -0.0008772000000000, 0.0025707400000000 ] - [ 0.0003178800000000, 0.0005418700000000, 0.0002074400000000 ] - [ 0.0004218200000000, -0.0001435900000000, -0.0013505800000000 ] - [ 0.0000206600000000, -0.0005094800000000, -0.0004625700000000 ] - [ 0.0784671100000000, -0.0144990500000000, -0.0292901800000000 ] - [ 0.0003890500000000, -0.0000893900000000, -0.0007309800000000 ] - [ 0.0003117500000000, 0.0000241900000000, -0.0006984400000000 ] - [ -0.0004438800000000, 0.0004481600000000, 0.0009002400000000 ] - [ 0.0000346700000000, 0.0000999400000000, -0.0004538600000000 ] - [ 0.0000031400000000, -0.0006590600000000, -0.0001240400000000 ] - [ 0.0682626400000000, 0.0038575500000000, 0.0334924500000000 ] - [ 0.0000130000000000, -0.0000935300000000, -0.0003392800000000 ] - [ -0.0005357500000000, 0.0004839500000000, -0.0003217600000000 ] - [ 0.0003194700000000, 0.0003495300000000, 0.0001215400000000 ] - [ 0.0044364100000000, -0.0038879300000000, 0.0011406300000000 ] - [ -0.0002854700000000, -0.0005176800000000, -0.0001720000000000 ] - [ -0.0001813500000000, -0.0001557200000000, 0.0008487200000000 ] - [ 0.0004091500000000, 0.0000347500000000, -0.0011628800000000 ] - [ 0.0197793300000000, -0.0112815200000000, 0.0085601400000000 ] - [ -0.0003204500000000, 0.0000601200000000, 0.0006658900000000 ] - [ 0.0210134100000000, -0.0169187300000000, -0.0022483700000000 ] - [ -0.0000602800000000, 0.0001300500000000, 0.0003998600000000 ] - [ 0.0001430700000000, -0.0001603100000000, 0.0002808700000000 ] - [ 0.0001974800000000, -0.0000625700000000, -0.0000151900000000 ] - [ 0.0001514600000000, -0.0007065600000000, 0.0000436700000000 ] - [ 0.0001194300000000, 0.0005137500000000, -0.0000877200000000 ] - [ 0.0000191700000000, -0.0004993400000000, 0.0001156400000000 ] - [ 0.0001232800000000, 0.0004618300000000, 0.0000030400000000 ] - [ -0.0002354500000000, -0.0002222400000000, -0.0003486000000000 ] - [ 0.0002171000000000, -0.0002004100000000, 0.0003081500000000 ] - [ 0.0003706500000000, 0.0002414200000000, 0.0003337200000000 ] - [ 0.0003337400000000, 0.0007337600000000, -0.0001071300000000 ] - [ -0.0005589100000000, -0.0003851900000000, 0.0004588900000000 ] - [ 0.0000511400000000, 0.0006046500000000, -0.0002983500000000 ] - [ 0.0000691700000000, -0.0009210700000000, 0.0004693700000000 ] - [ -0.0005813400000000, 0.0003501500000000, -0.0004199700000000 ] - [ -0.0003486100000000, -0.0002525400000000, -0.0003036800000000 ] - [ -0.0012134500000000, 0.0008197400000000, 0.0005528600000000 ] - [ 0.0002884800000000, 0.0003115000000000, 0.0003874300000000 ] - [ 0.0006144800000000, 0.0004119600000000, -0.0003827700000000 ] - [ 0.0040979100000000, 0.0036934300000000, -0.0047328600000000 ] - [ 0.0002483000000000, 0.0003830800000000, -0.0000231200000000 ] - [ 0.0000650300000000, -0.0003503600000000, 0.0001691800000000 ] - [ -0.0004760000000000, -0.0004145500000000, 0.0000294200000000 ] - [ 0.0001976300000000, 0.0004881900000000, 0.0003459600000000 ] - [ 0.0199802600000000, 0.0227262400000000, -0.0067721200000000 ] - [ 0.0001735300000000, -0.0002099700000000, -0.0001413800000000 ] - [ 0.0001309300000000, -0.0004890100000000, 0.0003631800000000 ] - [ 0.0008738700000000, 0.0016527500000000, 0.0007331900000000 ] - [ 0.0000812600000000, 0.0002665900000000, 0.0002079800000000 ] - [ 0.0000155600000000, -0.0002379500000000, 0.0002308300000000 ] - [ 0.0000592000000000, -0.0000446600000000, 0.0000211200000000 ] - [ 0.0032266900000000, 0.0013765800000000, -0.0000969400000000 ] - [ -0.0000170900000000, 0.0003506400000000, 0.0002240000000000 ] - [ -0.0000890900000000, -0.0002773700000000, 0.0002084600000000 ] - [ -0.0000754700000000, -0.0002581100000000, -0.0002776600000000 ] - [ 0.0001403800000000, 0.0001009800000000, 0.0002305600000000 ] - [ -0.0004486900000000, 0.0005147700000000, -0.0005983900000000 ] - [ -0.0000992800000000, -0.0001201800000000, -0.0003760100000000 ] - [ 0.0002261100000000, -0.0003228800000000, 0.0001567200000000 ] - [ -0.0002275800000000, 0.0009302800000000, -0.0014025700000000 ] - [ 0.0000587500000000, -0.0000925900000000, 0.0004586900000000 ] - [ -0.0000465200000000, 0.0001985600000000, 0.0005131300000000 ] - [ -0.0003476200000000, 0.0007830000000000, 0.0003507800000000 ] - [ -0.0002797900000000, 0.0003687200000000, 0.0001077200000000 ] - [ 0.0001825500000000, 0.0004301900000000, 0.0002204500000000 ] - [ 0.0017120300000000, -0.0005593400000000, -0.0015326200000000 ] - [ -0.0002534400000000, -0.0003783000000000, 0.0000233000000000 ] - [ 0.0001050700000000, 0.0005013800000000, 0.0001315800000000 ] - [ -0.0002243200000000, 0.0004535600000000, -0.0003225000000000 ] - [ -0.0002169300000000, -0.0005180500000000, -0.0003212300000000 ] - [ -0.0009023400000000, -0.0013419500000000, 0.0001153100000000 ] - [ 0.0001391300000000, 0.0000820700000000, -0.0002368500000000 ] - [ 0.0001742400000000, 0.0002544200000000, 0.0002690000000000 ] - [ 0.0022192400000000, 0.0021487500000000, -0.0016543900000000 ] - [ -0.0001522900000000, -0.0002510300000000, -0.0002762300000000 ] - [ -0.0001941900000000, 0.0004332300000000, -0.0001711300000000 ] - [ 0.0001634400000000, 0.0004344800000000, 0.0002392600000000 ] - [ 0.0174687700000000, 0.0249560200000000, -0.0071373200000000 ] - [ 0.0000382900000000, -0.0003496500000000, -0.0001870200000000 ] - [ 0.0001391800000000, 0.0002485800000000, 0.0000042800000000 ] - [ 0.0054765300000000, -0.0024143800000000, -0.0015481500000000 ] - [ -0.0000775900000000, -0.0003926900000000, -0.0002470700000000 ] - [ 0.0398727600000000, -0.0128127800000000, 0.0102191900000000 ] - [ -0.0001007900000000, -0.0001293300000000, -0.0004724200000000 ] - [ -0.0002579900000000, 0.0002379500000000, 0.0006038700000000 ] - [ -0.0008496200000000, 0.0003907500000000, 0.0002759700000000 ] - [ -0.0000411400000000, 0.0001242200000000, -0.0004680900000000 ]- atom: 1 displacement: [ -0.0099999862199687, 0.0000000000000000, -0.0000166012179150 ] forces: - [ 0.2877763500000000, 0.0028468600000000, -0.0034299900000000 ] - [ 0.0003093900000000, 0.0004399400000000, 0.0002749200000000 ] - [ 0.0002514700000000, -0.0008337800000000, 0.0017377900000000 ] - [ -0.0006498000000000, -0.0004951100000000, -0.0000043000000000 ] - [ -0.0817353100000000, 0.0144800300000000, 0.0319694200000000 ] - [ 0.0002100000000000, -0.0001138100000000, -0.0007910400000000 ] - [ 0.0003018600000000, 0.0001978500000000, -0.0008420900000000 ] - [ -0.0001716700000000, -0.0002451000000000, 0.0006754000000000 ] - [ -0.0000006400000000, 0.0001111000000000, -0.0002615100000000 ] - [ -0.0000399100000000, 0.0008864700000000, 0.0008198600000000 ] - [ -0.0707946200000000, -0.0045397100000000, -0.0339465000000000 ] - [ 0.0000153800000000, -0.0001226900000000, -0.0003438600000000 ] - [ -0.0001257200000000, 0.0004975800000000, -0.0001590900000000 ] - [ 0.0003372800000000, 0.0005790800000000, 0.0003307200000000 ] - [ -0.0038967400000000, 0.0030373400000000, -0.0007009200000000 ] - [ -0.0003629300000000, -0.0004336500000000, -0.0002623700000000 ] - [ -0.0004358500000000, -0.0000632500000000, 0.0007068100000000 ] - [ 0.0002097800000000, -0.0002743800000000, -0.0003617800000000 ] - [ -0.0191869000000000, 0.0117510200000000, -0.0102812800000000 ] - [ -0.0002849100000000, 0.0001414200000000, 0.0008296100000000 ] - [ -0.0210483300000000, 0.0174779400000000, 0.0016439600000000 ] - [ 0.0000034300000000, 0.0000956000000000, 0.0003226000000000 ] - [ -0.0001851200000000, -0.0000531500000000, 0.0004075900000000 ] - [ -0.0001394700000000, -0.0001574200000000, -0.0007106500000000 ] - [ -0.0001554600000000, -0.0004628000000000, -0.0000478200000000 ] - [ -0.0001283500000000, 0.0006547800000000, 0.0000823400000000 ] - [ -0.0000269300000000, -0.0004738400000000, -0.0001157300000000 ] - [ -0.0001316000000000, 0.0005135900000000, -0.0000064900000000 ] - [ -0.0003762600000000, -0.0002752800000000, -0.0003192000000000 ] - [ 0.0003858000000000, -0.0003037000000000, 0.0003527100000000 ] - [ 0.0002327500000000, 0.0002553700000000, 0.0003292600000000 ] - [ -0.0009421300000000, -0.0002239700000000, -0.0005498500000000 ] - [ 0.0005544000000000, -0.0007844700000000, -0.0004664500000000 ] - [ -0.0000538500000000, 0.0005635600000000, 0.0003047300000000 ] - [ -0.0000572600000000, -0.0000622000000000, -0.0004631000000000 ] - [ 0.0005736400000000, 0.0006223000000000, 0.0004338900000000 ] - [ -0.0002593000000000, -0.0002453000000000, -0.0003601300000000 ] - [ 0.0018237800000000, -0.0013148600000000, 0.0001023300000000 ] - [ 0.0003183500000000, 0.0001907300000000, 0.0002773300000000 ] - [ -0.0012210100000000, 0.0000940600000000, -0.0002907200000000 ] - [ -0.0045898000000000, -0.0029407100000000, 0.0047910600000000 ] - [ 0.0002922900000000, 0.0003881900000000, 0.0000043100000000 ] - [ 0.0004676100000000, -0.0004113700000000, -0.0001847200000000 ] - [ -0.0000476900000000, -0.0003709300000000, -0.0000330100000000 ] - [ 0.0001664000000000, 0.0005261100000000, 0.0003025600000000 ] - [ -0.0212225900000000, -0.0230178300000000, 0.0064933400000000 ] - [ -0.0005348000000000, -0.0008182400000000, -0.0004954500000000 ] - [ 0.0002442100000000, -0.0005637500000000, 0.0002711400000000 ] - [ -0.0010308500000000, -0.0010841100000000, -0.0012016400000000 ] - [ 0.0000640600000000, 0.0002879400000000, 0.0002209000000000 ] - [ 0.0001248200000000, -0.0003078300000000, 0.0002266000000000 ] - [ -0.0001816800000000, -0.0005333300000000, -0.0004754700000000 ] - [ -0.0033616600000000, -0.0006779200000000, -0.0003110500000000 ] - [ 0.0000549200000000, 0.0003225500000000, 0.0002136800000000 ] - [ 0.0001046800000000, -0.0003672500000000, 0.0001822700000000 ] - [ 0.0000335900000000, -0.0004074100000000, -0.0001312200000000 ] - [ 0.0001996900000000, 0.0002248600000000, 0.0002451000000000 ] - [ 0.0001188800000000, -0.0001949100000000, 0.0001184000000000 ] - [ -0.0002504600000000, -0.0002129100000000, -0.0001065000000000 ] - [ 0.0001428600000000, -0.0000281900000000, 0.0003396900000000 ] - [ 0.0003171900000000, -0.0012674200000000, 0.0004915600000000 ] - [ -0.0001206200000000, -0.0002698600000000, 0.0004412900000000 ] - [ -0.0000316000000000, 0.0001423900000000, 0.0004316600000000 ] - [ 0.0004725000000000, -0.0004534600000000, -0.0013191300000000 ] - [ -0.0002669500000000, 0.0004157300000000, -0.0001164800000000 ] - [ 0.0003584400000000, 0.0003256500000000, -0.0002325700000000 ] - [ -0.0011734400000000, -0.0001908600000000, 0.0015295800000000 ] - [ -0.0002775900000000, -0.0003640500000000, 0.0000036000000000 ] - [ 0.0002855400000000, 0.0005568800000000, 0.0004983200000000 ] - [ -0.0001646000000000, 0.0005762600000000, -0.0003153000000000 ] - [ -0.0001482500000000, -0.0005275700000000, -0.0003237300000000 ] - [ 0.0012815300000000, 0.0003333500000000, 0.0005365100000000 ] - [ -0.0002571000000000, 0.0004723100000000, -0.0001989600000000 ] - [ -0.0000221400000000, 0.0002979500000000, 0.0001711400000000 ] - [ -0.0020218800000000, -0.0026760600000000, 0.0020745100000000 ] - [ -0.0000152600000000, -0.0002993700000000, -0.0001714700000000 ] - [ 0.0001609000000000, 0.0002349300000000, -0.0002461300000000 ] - [ -0.0001670000000000, 0.0002328700000000, 0.0001614800000000 ] - [ -0.0171934400000000, -0.0249556900000000, 0.0073749700000000 ] - [ -0.0000556100000000, -0.0003124400000000, -0.0002270800000000 ] - [ 0.0002094300000000, 0.0000840900000000, 0.0004883000000000 ] - [ -0.0056894300000000, 0.0026668300000000, 0.0010840500000000 ] - [ -0.0002778500000000, 0.0000628100000000, -0.0002470600000000 ] - [ -0.0381897300000000, 0.0117889800000000, -0.0093197200000000 ] - [ 0.0001563500000000, -0.0002199100000000, -0.0004520100000000 ] - [ 0.0002139700000000, -0.0006007600000000, 0.0003383200000000 ] - [ 0.0008189400000000, -0.0000478700000000, 0.0006568300000000 ] - [ 0.0001096300000000, 0.0002232100000000, -0.0004689000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015022500000000, -0.2909445200000000, -0.0057859300000000 ] - [ 0.0002748200000000, 0.0004275900000000, 0.0001630000000000 ] - [ 0.0006909900000000, 0.0005867000000000, 0.0010755700000000 ] - [ -0.0003099100000000, -0.0005722800000000, -0.0003696800000000 ] - [ -0.0028495700000000, 0.0077451700000000, -0.0023309100000000 ] - [ 0.0001378200000000, 0.0000769500000000, -0.0007560800000000 ] - [ 0.0002427200000000, 0.0001499500000000, -0.0007310100000000 ] - [ -0.0003599200000000, 0.0002857200000000, 0.0006864500000000 ] - [ -0.0000430500000000, 0.0000042500000000, -0.0004172100000000 ] - [ -0.0004130000000000, -0.0009791800000000, -0.0000552000000000 ] - [ 0.0205464500000000, 0.0148070200000000, 0.0137479300000000 ] - [ 0.0000189300000000, -0.0000670000000000, -0.0003453800000000 ] - [ -0.0003461200000000, 0.0004358400000000, -0.0001994000000000 ] - [ 0.0004431000000000, 0.0004949800000000, 0.0004409700000000 ] - [ -0.0031655700000000, 0.0009845900000000, -0.0006939800000000 ] - [ -0.0002896000000000, -0.0004896400000000, -0.0001670000000000 ] - [ 0.0000454000000000, -0.0002994000000000, 0.0012156300000000 ] - [ 0.0004167000000000, -0.0001093000000000, -0.0008914900000000 ] - [ -0.0231691300000000, 0.0442838800000000, -0.0402753000000000 ] - [ -0.0003938700000000, 0.0000189700000000, 0.0005697000000000 ] - [ -0.0359838400000000, 0.0847567200000000, 0.0168553900000000 ] - [ 0.0000932000000000, -0.0000921300000000, 0.0003652100000000 ] - [ 0.0001161700000000, -0.0001928400000000, 0.0003945100000000 ] - [ -0.0002678400000000, 0.0005636000000000, -0.0001315300000000 ] - [ 0.0002598300000000, -0.0005946600000000, -0.0000895300000000 ] - [ 0.0002230800000000, 0.0006104700000000, 0.0000627900000000 ] - [ 0.0001784000000000, -0.0004699400000000, -0.0000665600000000 ] - [ 0.0000880700000000, 0.0004661700000000, -0.0000174300000000 ] - [ -0.0002602200000000, -0.0001882200000000, -0.0002907100000000 ] - [ 0.0003372500000000, -0.0002606700000000, 0.0003796200000000 ] - [ 0.0003408700000000, 0.0002346300000000, 0.0003398500000000 ] - [ 0.0000959100000000, 0.0004795800000000, -0.0000274100000000 ] - [ 0.0006146800000000, -0.0005978900000000, 0.0008741100000000 ] - [ 0.0001972000000000, 0.0010718600000000, -0.0007251500000000 ] - [ -0.0002738300000000, -0.0002391100000000, -0.0000526300000000 ] - [ 0.0000777700000000, -0.0002682000000000, -0.0007515300000000 ] - [ -0.0003400000000000, -0.0002285100000000, -0.0003438100000000 ] - [ -0.0007663000000000, 0.0020377700000000, 0.0008230300000000 ] - [ 0.0003631000000000, 0.0003581900000000, 0.0006006100000000 ] - [ 0.0005296100000000, -0.0003947600000000, 0.0001626300000000 ] - [ 0.0044717600000000, 0.0124515500000000, 0.0197330400000000 ] - [ 0.0002375900000000, 0.0003981000000000, -0.0000313200000000 ] - [ 0.0003664600000000, -0.0005643300000000, -0.0002949700000000 ] - [ -0.0002429200000000, -0.0003518600000000, -0.0000331000000000 ] - [ 0.0001669200000000, 0.0005179800000000, 0.0003169600000000 ] - [ 0.0285604000000000, 0.0400283100000000, -0.0088557300000000 ] - [ 0.0000534900000000, -0.0000236500000000, -0.0001731200000000 ] - [ 0.0000249100000000, -0.0006902900000000, 0.0003701900000000 ] - [ 0.0006881700000000, 0.0010565300000000, -0.0013322300000000 ] - [ 0.0000837400000000, 0.0002731400000000, 0.0002280900000000 ] - [ -0.0001169300000000, -0.0003108900000000, 0.0000929800000000 ] - [ 0.0003077000000000, 0.0003030200000000, 0.0001166900000000 ] - [ 0.0013075500000000, -0.0001660300000000, 0.0005035500000000 ] - [ 0.0000680600000000, 0.0003289500000000, 0.0002889900000000 ] - [ -0.0001102200000000, -0.0003142400000000, 0.0001100500000000 ] - [ -0.0000624300000000, -0.0003225700000000, -0.0002033400000000 ] - [ 0.0001381900000000, 0.0001315400000000, 0.0002345500000000 ] - [ 0.0002835200000000, 0.0001503500000000, -0.0001691700000000 ] - [ -0.0000388800000000, -0.0000742300000000, -0.0003080300000000 ] - [ 0.0001197200000000, -0.0002543200000000, 0.0002467600000000 ] - [ 0.0007849200000000, 0.0002353500000000, -0.0007048500000000 ] - [ -0.0000825000000000, -0.0002603500000000, 0.0003934800000000 ] - [ -0.0000142200000000, 0.0001699000000000, 0.0005163700000000 ] - [ 0.0003187300000000, 0.0004918900000000, 0.0005237100000000 ] - [ -0.0002741900000000, 0.0003684900000000, -0.0000397700000000 ] - [ 0.0003855300000000, 0.0005644600000000, -0.0001329600000000 ] - [ -0.0001984000000000, 0.0020973800000000, 0.0007838400000000 ] - [ -0.0002715700000000, -0.0003665800000000, 0.0000237600000000 ] - [ 0.0000503100000000, 0.0006284200000000, 0.0005558900000000 ] - [ -0.0001812800000000, 0.0004833500000000, -0.0003647400000000 ] - [ -0.0001840100000000, -0.0004661700000000, -0.0002878500000000 ] - [ -0.0008246700000000, 0.0028966700000000, 0.0004845700000000 ] - [ -0.0003083600000000, 0.0003856400000000, -0.0003060800000000 ] - [ 0.0003699400000000, 0.0002118500000000, 0.0004235200000000 ] - [ 0.0012667500000000, 0.0103577200000000, 0.0179209500000000 ] - [ 0.0000579700000000, -0.0003185300000000, -0.0000817900000000 ] - [ -0.0004727400000000, -0.0000966300000000, -0.0002209600000000 ] - [ 0.0001352000000000, 0.0003453400000000, 0.0002707800000000 ] - [ 0.0207213800000000, 0.0395827100000000, -0.0069106000000000 ] - [ 0.0000031400000000, -0.0003381300000000, -0.0002145900000000 ] - [ 0.0002789000000000, 0.0001456100000000, 0.0003711500000000 ] - [ -0.0024431200000000, 0.0020851800000000, 0.0007351000000000 ] - [ -0.0003242800000000, -0.0000375100000000, -0.0003635300000000 ] - [ -0.0127974600000000, 0.0239463300000000, -0.0074240200000000 ] - [ 0.0000750500000000, -0.0001133700000000, -0.0005713900000000 ] - [ 0.0012407000000000, 0.0008512800000000, 0.0013233900000000 ] - [ 0.0010312100000000, -0.0005494400000000, -0.0004881900000000 ] - [ -0.0002478000000000, 0.0002397300000000, -0.0002981500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022840500000000, 0.2872171300000000, 0.0057453000000000 ] - [ 0.0003050000000000, 0.0004946100000000, 0.0002867000000000 ] - [ -0.0000699300000000, -0.0015091800000000, -0.0006665800000000 ] - [ -0.0002685200000000, -0.0003589600000000, -0.0000720600000000 ] - [ 0.0021389200000000, -0.0081064900000000, 0.0040194800000000 ] - [ 0.0004891600000000, -0.0003266500000000, -0.0008230200000000 ] - [ 0.0004060900000000, 0.0001046800000000, -0.0008720500000000 ] - [ -0.0002790800000000, -0.0000200600000000, 0.0009283100000000 ] - [ 0.0001089300000000, 0.0002695500000000, -0.0002550200000000 ] - [ 0.0003469400000000, 0.0012541000000000, 0.0007329700000000 ] - [ -0.0208153100000000, -0.0152088900000000, -0.0131105100000000 ] - [ 0.0000424600000000, -0.0002189800000000, -0.0003224600000000 ] - [ -0.0002445100000000, 0.0004880400000000, -0.0002504300000000 ] - [ 0.0001456900000000, 0.0004058700000000, 0.0000013900000000 ] - [ 0.0036977400000000, -0.0019150900000000, 0.0011199600000000 ] - [ -0.0003022400000000, -0.0004251900000000, -0.0002659500000000 ] - [ -0.0006824200000000, 0.0000411000000000, 0.0003882300000000 ] - [ 0.0002470900000000, -0.0001640200000000, -0.0006933900000000 ] - [ 0.0234144000000000, -0.0427891800000000, 0.0377226100000000 ] - [ -0.0002427500000000, 0.0002228500000000, 0.0009970700000000 ] - [ 0.0349531600000000, -0.0813873900000000, -0.0169652500000000 ] - [ -0.0001682700000000, 0.0003777400000000, 0.0003152900000000 ] - [ -0.0001856100000000, -0.0000963300000000, 0.0002781400000000 ] - [ 0.0003416100000000, -0.0008475500000000, -0.0005655700000000 ] - [ -0.0002632100000000, -0.0005865700000000, 0.0000856200000000 ] - [ -0.0002277900000000, 0.0005712000000000, -0.0000622700000000 ] - [ -0.0001794600000000, -0.0005028700000000, 0.0000628100000000 ] - [ -0.0000935000000000, 0.0005070900000000, 0.0000167900000000 ] - [ -0.0003605400000000, -0.0003238400000000, -0.0003547900000000 ] - [ 0.0002803100000000, -0.0002564400000000, 0.0002611200000000 ] - [ 0.0002738900000000, 0.0002795700000000, 0.0003039200000000 ] - [ -0.0007118700000000, 0.0000455800000000, -0.0006182300000000 ] - [ -0.0006049100000000, -0.0005812300000000, -0.0008652300000000 ] - [ -0.0002017400000000, 0.0001120300000000, 0.0007370100000000 ] - [ 0.0002879200000000, -0.0007310900000000, 0.0000561500000000 ] - [ -0.0000785500000000, 0.0012339300000000, 0.0007486000000000 ] - [ -0.0002770800000000, -0.0002846000000000, -0.0002992300000000 ] - [ 0.0013946600000000, -0.0025927000000000, -0.0002015800000000 ] - [ 0.0002558400000000, 0.0001591800000000, 0.0000419000000000 ] - [ -0.0011365200000000, 0.0009172800000000, -0.0008121200000000 ] - [ -0.0049746400000000, -0.0117580500000000, -0.0199044700000000 ] - [ 0.0002823900000000, 0.0003429500000000, 0.0000276900000000 ] - [ 0.0001503100000000, -0.0001724600000000, 0.0002902300000000 ] - [ -0.0002647600000000, -0.0003954700000000, 0.0000265000000000 ] - [ 0.0002007300000000, 0.0004831700000000, 0.0003289800000000 ] - [ -0.0302534100000000, -0.0403452400000000, 0.0086072800000000 ] - [ -0.0004215000000000, -0.0009941000000000, -0.0004644400000000 ] - [ 0.0003505300000000, -0.0003197300000000, 0.0002658900000000 ] - [ -0.0008211900000000, -0.0005375500000000, 0.0008638500000000 ] - [ 0.0000939100000000, 0.0002815000000000, 0.0002571600000000 ] - [ 0.0002884600000000, -0.0002408700000000, 0.0004018400000000 ] - [ -0.0004752000000000, -0.0008772300000000, -0.0006223800000000 ] - [ -0.0013826600000000, 0.0007911300000000, -0.0009216800000000 ] - [ 0.0000131600000000, 0.0002994200000000, 0.0001478900000000 ] - [ 0.0001844400000000, -0.0003011800000000, 0.0003007300000000 ] - [ -0.0000195100000000, -0.0003041900000000, -0.0002130400000000 ] - [ 0.0002297700000000, 0.0001952100000000, 0.0002562200000000 ] - [ -0.0006552000000000, 0.0001839400000000, -0.0003245300000000 ] - [ -0.0003335800000000, -0.0002568500000000, -0.0001838500000000 ] - [ 0.0002596400000000, -0.0000812000000000, 0.0002522100000000 ] - [ -0.0006958800000000, -0.0005539700000000, -0.0002844600000000 ] - [ 0.0000276200000000, -0.0001058800000000, 0.0005077100000000 ] - [ -0.0000533800000000, 0.0001870100000000, 0.0004085800000000 ] - [ -0.0002367000000000, -0.0001176600000000, -0.0014388900000000 ] - [ -0.0002468300000000, 0.0003809700000000, 0.0000259000000000 ] - [ 0.0001308400000000, 0.0001707000000000, 0.0001401000000000 ] - [ 0.0007328700000000, -0.0028580800000000, -0.0007645900000000 ] - [ -0.0002463000000000, -0.0003577700000000, -0.0000171900000000 ] - [ 0.0003312800000000, 0.0003889900000000, 0.0000743700000000 ] - [ -0.0002043700000000, 0.0005265900000000, -0.0002738600000000 ] - [ -0.0001873700000000, -0.0005411200000000, -0.0003566400000000 ] - [ 0.0011254900000000, -0.0038304300000000, 0.0001351700000000 ] - [ 0.0001439600000000, 0.0001702100000000, -0.0001875200000000 ] - [ -0.0001906100000000, 0.0003708100000000, 0.0000748000000000 ] - [ -0.0010925800000000, -0.0109889100000000, -0.0170953300000000 ] - [ -0.0002486900000000, -0.0002357900000000, -0.0004049700000000 ] - [ 0.0003901800000000, 0.0007172000000000, -0.0002032000000000 ] - [ -0.0000713000000000, 0.0002795700000000, 0.0001416500000000 ] - [ -0.0193090100000000, -0.0379213600000000, 0.0066775700000000 ] - [ -0.0000763300000000, -0.0002853800000000, -0.0002111200000000 ] - [ 0.0000891300000000, 0.0001842500000000, 0.0001252900000000 ] - [ 0.0021271900000000, -0.0017986600000000, -0.0011753900000000 ] - [ -0.0000468300000000, -0.0002922800000000, -0.0001352600000000 ] - [ 0.0135006700000000, -0.0244730500000000, 0.0079970100000000 ] - [ -0.0000224400000000, -0.0002466100000000, -0.0003441600000000 ] - [ -0.0013371700000000, -0.0012183800000000, -0.0003736200000000 ] - [ -0.0011099300000000, 0.0008705000000000, 0.0014134800000000 ] - [ 0.0003047800000000, 0.0001171000000000, -0.0006211200000000 ]- atom: 1 displacement: [ -0.0002562758177658, 0.0000000000000000, 0.0099967155958959 ] forces: - [ 0.0119643200000000, -0.0061415100000000, -0.3159554900000000 ] - [ 0.0002104000000000, 0.0005028100000000, 0.0002816000000000 ] - [ -0.0013070100000000, 0.0004249900000000, 0.0017233300000000 ] - [ -0.0004932700000000, -0.0002759600000000, 0.0000171500000000 ] - [ -0.0460494000000000, 0.0053547800000000, 0.0293512700000000 ] - [ 0.0003306200000000, -0.0001714400000000, -0.0009205300000000 ] - [ 0.0005894300000000, 0.0004486100000000, -0.0008785000000000 ] - [ 0.0004640400000000, 0.0001660100000000, 0.0008080100000000 ] - [ 0.0001389700000000, 0.0001714000000000, -0.0001656500000000 ] - [ -0.0011073900000000, 0.0002282800000000, -0.0003492200000000 ] - [ 0.0345995000000000, 0.0022227700000000, 0.0278585000000000 ] - [ 0.0000757600000000, -0.0001052600000000, -0.0002609100000000 ] - [ -0.0003178300000000, 0.0004589000000000, -0.0000839100000000 ] - [ 0.0001428200000000, 0.0002253700000000, -0.0002009500000000 ] - [ 0.0010814600000000, -0.0012796900000000, -0.0002726800000000 ] - [ -0.0002059200000000, -0.0004783400000000, -0.0001791200000000 ] - [ -0.0002953300000000, -0.0001834000000000, 0.0006899100000000 ] - [ -0.0003876900000000, 0.0000845300000000, -0.0013420800000000 ] - [ 0.0240058700000000, -0.0405488700000000, 0.0499713100000000 ] - [ -0.0003398400000000, 0.0001150300000000, 0.0008234200000000 ] - [ -0.0099259000000000, 0.0230759100000000, 0.0129566600000000 ] - [ -0.0000167700000000, 0.0002505500000000, 0.0003048300000000 ] - [ -0.0003186200000000, -0.0003248700000000, 0.0006176300000000 ] - [ 0.0004494100000000, 0.0003458400000000, 0.0000805900000000 ] - [ 0.0001513100000000, -0.0004693600000000, 0.0000152700000000 ] - [ 0.0001122200000000, 0.0005604800000000, 0.0000706300000000 ] - [ 0.0001176000000000, -0.0004961600000000, -0.0000570000000000 ] - [ -0.0000275900000000, 0.0004441400000000, -0.0000510300000000 ] - [ -0.0003626700000000, -0.0002977400000000, -0.0004954200000000 ] - [ 0.0003947800000000, -0.0002618700000000, 0.0003974600000000 ] - [ 0.0003662900000000, 0.0002542400000000, 0.0002886500000000 ] - [ -0.0004652300000000, 0.0001191200000000, 0.0000294900000000 ] - [ 0.0004938200000000, 0.0000494200000000, -0.0002781800000000 ] - [ -0.0000225900000000, 0.0006921300000000, 0.0000065100000000 ] - [ 0.0000269400000000, -0.0003643900000000, -0.0001155900000000 ] - [ -0.0009914200000000, 0.0001674200000000, 0.0005472900000000 ] - [ -0.0003591600000000, -0.0002659300000000, -0.0003591900000000 ] - [ 0.0004522900000000, -0.0002078500000000, -0.0001110300000000 ] - [ 0.0002684900000000, 0.0001481300000000, 0.0007006200000000 ] - [ -0.0004959900000000, 0.0005205300000000, -0.0002794100000000 ] - [ 0.0013215100000000, 0.0167681900000000, 0.0725302100000000 ] - [ 0.0002577000000000, 0.0003687100000000, -0.0000000400000000 ] - [ 0.0009006500000000, -0.0005193300000000, -0.0000038000000000 ] - [ -0.0002019900000000, -0.0002853800000000, -0.0001767700000000 ] - [ 0.0001678800000000, 0.0004694500000000, 0.0002347700000000 ] - [ -0.0098642300000000, -0.0085716300000000, 0.0101796900000000 ] - [ 0.0000903000000000, -0.0007791500000000, 0.0009549400000000 ] - [ 0.0002198300000000, -0.0003082600000000, 0.0002973500000000 ] - [ 0.0018072800000000, -0.0000379000000000, 0.0018171800000000 ] - [ 0.0001003100000000, 0.0002527200000000, 0.0002533600000000 ] - [ 0.0001568100000000, -0.0002907600000000, 0.0002668200000000 ] - [ 0.0000845000000000, -0.0002558100000000, 0.0002702000000000 ] - [ -0.0005160900000000, 0.0007094300000000, 0.0016061900000000 ] - [ 0.0000231700000000, 0.0003076100000000, 0.0002641200000000 ] - [ 0.0000432100000000, -0.0002466800000000, 0.0000885400000000 ] - [ 0.0000082900000000, -0.0004598200000000, -0.0002344700000000 ] - [ 0.0001890400000000, 0.0001654300000000, 0.0002675700000000 ] - [ -0.0001729400000000, -0.0000489100000000, 0.0002233600000000 ] - [ -0.0001184800000000, -0.0000832100000000, -0.0002635800000000 ] - [ -0.0000105500000000, 0.0000511200000000, -0.0000557900000000 ] - [ -0.0002316500000000, -0.0009819800000000, 0.0005681800000000 ] - [ -0.0002151100000000, -0.0002885300000000, 0.0005120900000000 ] - [ -0.0000673800000000, 0.0001729200000000, 0.0004744900000000 ] - [ 0.0007695200000000, 0.0017753100000000, 0.0000176600000000 ] - [ -0.0001329500000000, 0.0002964100000000, -0.0000148100000000 ] - [ 0.0000905100000000, 0.0001702700000000, 0.0003785200000000 ] - [ -0.0021884100000000, 0.0006920900000000, 0.0008361600000000 ] - [ -0.0002653500000000, -0.0003579900000000, -0.0000006400000000 ] - [ 0.0001446000000000, 0.0004172500000000, 0.0003323100000000 ] - [ -0.0001748300000000, 0.0005276600000000, -0.0003806700000000 ] - [ -0.0002249400000000, -0.0004715700000000, -0.0003283900000000 ] - [ 0.0004459400000000, -0.0009814800000000, 0.0018035900000000 ] - [ -0.0004251900000000, 0.0003797900000000, -0.0004339200000000 ] - [ -0.0001815300000000, 0.0003963900000000, -0.0002499400000000 ] - [ -0.0090424000000000, 0.0216098700000000, 0.0722409900000000 ] - [ -0.0001257300000000, -0.0003141400000000, -0.0003018500000000 ] - [ 0.0002430600000000, 0.0004385200000000, -0.0003318100000000 ] - [ 0.0002415100000000, 0.0001650800000000, 0.0002582700000000 ] - [ -0.0060000600000000, -0.0073427100000000, 0.0108431200000000 ] - [ -0.0001024700000000, -0.0002879500000000, -0.0002273100000000 ] - [ 0.0002061300000000, 0.0002902700000000, 0.0002380200000000 ] - [ -0.0034205600000000, 0.0023585000000000, -0.0024077600000000 ] - [ -0.0002895100000000, -0.0001523200000000, -0.0003274400000000 ] - [ 0.0131681900000000, -0.0104989800000000, 0.0217682600000000 ] - [ 0.0000506900000000, -0.0002405600000000, -0.0004456300000000 ] - [ 0.0011793600000000, 0.0000190200000000, 0.0004886800000000 ] - [ -0.0009435400000000, -0.0004288800000000, 0.0014208900000000 ] - [ 0.0000591200000000, 0.0002732000000000, -0.0004351300000000 ]- atom: 1 displacement: [ 0.0002562758177658, 0.0000000000000000, -0.0099967155958959 ] forces: - [ -0.0098224100000000, 0.0053900800000000, 0.3173238600000000 ] - [ 0.0003506700000000, 0.0004118500000000, 0.0001564600000000 ] - [ 0.0018668200000000, -0.0013273700000000, -0.0013237000000000 ] - [ -0.0000793600000000, -0.0006328700000000, -0.0004638500000000 ] - [ 0.0445746700000000, -0.0053109600000000, -0.0271675500000000 ] - [ 0.0003015100000000, -0.0000859100000000, -0.0006908500000000 ] - [ 0.0000699600000000, -0.0001799300000000, -0.0007389800000000 ] - [ -0.0011114800000000, 0.0001198400000000, 0.0008058400000000 ] - [ -0.0000639100000000, 0.0001156700000000, -0.0004946300000000 ] - [ 0.0010293500000000, 0.0000614800000000, 0.0010018300000000 ] - [ -0.0354075700000000, -0.0026761100000000, -0.0279343500000000 ] - [ -0.0000031900000000, -0.0001961000000000, -0.0004030700000000 ] - [ -0.0002606900000000, 0.0004513500000000, -0.0003551000000000 ] - [ 0.0004290100000000, 0.0006734200000000, 0.0006430800000000 ] - [ -0.0004782400000000, 0.0003460300000000, 0.0007499700000000 ] - [ -0.0003695300000000, -0.0004222700000000, -0.0002579000000000 ] - [ -0.0003524300000000, -0.0000850700000000, 0.0009346500000000 ] - [ 0.0010497000000000, -0.0003479200000000, -0.0002716000000000 ] - [ -0.0240847600000000, 0.0419617300000000, -0.0532267500000000 ] - [ -0.0003134600000000, 0.0001456200000000, 0.0007694100000000 ] - [ 0.0098386100000000, -0.0225100500000000, -0.0133044300000000 ] - [ -0.0000684700000000, 0.0000419900000000, 0.0003638100000000 ] - [ 0.0002345200000000, 0.0000238400000000, 0.0000510000000000 ] - [ -0.0003623500000000, -0.0006405800000000, -0.0007736600000000 ] - [ -0.0001569800000000, -0.0007101500000000, -0.0000191700000000 ] - [ -0.0001189700000000, 0.0006201200000000, -0.0000742900000000 ] - [ -0.0001195200000000, -0.0004738500000000, 0.0000566200000000 ] - [ 0.0000168400000000, 0.0005270800000000, 0.0000501300000000 ] - [ -0.0002560300000000, -0.0002080100000000, -0.0001548900000000 ] - [ 0.0002113800000000, -0.0002479700000000, 0.0002466900000000 ] - [ 0.0002428200000000, 0.0002547100000000, 0.0003593400000000 ] - [ -0.0001543800000000, 0.0003943700000000, -0.0006678600000000 ] - [ -0.0004870300000000, -0.0012349000000000, 0.0002708800000000 ] - [ 0.0000234900000000, 0.0004884000000000, 0.0000073500000000 ] - [ -0.0000184600000000, -0.0005980800000000, 0.0001015500000000 ] - [ 0.0010151700000000, 0.0008101500000000, -0.0005470200000000 ] - [ -0.0002527000000000, -0.0002430800000000, -0.0002905600000000 ] - [ 0.0001800800000000, -0.0003015300000000, 0.0007667900000000 ] - [ 0.0003446800000000, 0.0003615700000000, -0.0000661000000000 ] - [ -0.0001324300000000, -0.0000174900000000, -0.0003714600000000 ] - [ -0.0020618900000000, -0.0169269200000000, -0.0760012000000000 ] - [ 0.0002546200000000, 0.0003735300000000, 0.0000024800000000 ] - [ -0.0003883800000000, -0.0002222700000000, -0.0000008600000000 ] - [ -0.0003021500000000, -0.0004583300000000, 0.0001747300000000 ] - [ 0.0002008700000000, 0.0005311200000000, 0.0004005000000000 ] - [ 0.0094362600000000, 0.0094024500000000, -0.0108092700000000 ] - [ -0.0004529200000000, -0.0002369700000000, -0.0015654300000000 ] - [ 0.0001580400000000, -0.0006990600000000, 0.0003334800000000 ] - [ -0.0020786500000000, 0.0006415400000000, -0.0023464600000000 ] - [ 0.0000799900000000, 0.0003045200000000, 0.0002411900000000 ] - [ 0.0000181100000000, -0.0002641200000000, 0.0002320600000000 ] - [ -0.0002466100000000, -0.0003161200000000, -0.0007672900000000 ] - [ 0.0005510600000000, -0.0001185400000000, -0.0020294400000000 ] - [ 0.0000683200000000, 0.0003146900000000, 0.0001658900000000 ] - [ 0.0000411500000000, -0.0003656800000000, 0.0003185600000000 ] - [ -0.0000939100000000, -0.0001623500000000, -0.0001852900000000 ] - [ 0.0001814500000000, 0.0001616100000000, 0.0002221700000000 ] - [ -0.0001981400000000, 0.0003658600000000, -0.0007168900000000 ] - [ -0.0002514700000000, -0.0002439000000000, -0.0002282100000000 ] - [ 0.0003910900000000, -0.0003793900000000, 0.0005489500000000 ] - [ 0.0002858600000000, 0.0006368000000000, -0.0015186900000000 ] - [ 0.0001579100000000, -0.0000719200000000, 0.0003962700000000 ] - [ 0.0000004000000000, 0.0001797100000000, 0.0004544000000000 ] - [ -0.0006968000000000, -0.0014033300000000, -0.0008985500000000 ] - [ -0.0003821800000000, 0.0004517900000000, -0.0000025500000000 ] - [ 0.0004132500000000, 0.0005645800000000, -0.0003720100000000 ] - [ 0.0026768000000000, -0.0014062800000000, -0.0008429100000000 ] - [ -0.0002492500000000, -0.0003715400000000, 0.0000006800000000 ] - [ 0.0002374600000000, 0.0005979000000000, 0.0002960000000000 ] - [ -0.0002079200000000, 0.0004821600000000, -0.0002550900000000 ] - [ -0.0001499300000000, -0.0005337900000000, -0.0003104000000000 ] - [ 0.0000058200000000, -0.0001191900000000, -0.0011432600000000 ] - [ 0.0002573600000000, 0.0001768700000000, -0.0000652900000000 ] - [ 0.0003706300000000, 0.0001910100000000, 0.0007570700000000 ] - [ 0.0088041300000000, -0.0210572800000000, -0.0685611100000000 ] - [ -0.0000600300000000, -0.0002433900000000, -0.0001870300000000 ] - [ -0.0003285500000000, 0.0001820000000000, -0.0000885900000000 ] - [ -0.0001680300000000, 0.0004583900000000, 0.0001563700000000 ] - [ 0.0062733300000000, 0.0069519700000000, -0.0104215400000000 ] - [ 0.0000228200000000, -0.0003329000000000, -0.0001967200000000 ] - [ 0.0001622000000000, 0.0000315600000000, 0.0002567800000000 ] - [ 0.0031348300000000, -0.0020679000000000, 0.0018526900000000 ] - [ -0.0000837600000000, -0.0001713800000000, -0.0001711500000000 ] - [ -0.0126767100000000, 0.0100690500000000, -0.0211409900000000 ] - [ 0.0000042400000000, -0.0001171100000000, -0.0004752900000000 ] - [ -0.0012845900000000, -0.0004198700000000, 0.0004096400000000 ] - [ 0.0008664400000000, 0.0008089000000000, -0.0004830300000000 ] - [ 0.0000024700000000, 0.0000825000000000, -0.0004968700000000 ]- atom: 5 displacement: [ 0.0099999862199687, 0.0000000000000000, 0.0000166012179150 ] forces: - [ 0.0812586300000000, -0.0021259000000000, -0.0441065700000000 ] - [ 0.0003211800000000, 0.0005586500000000, 0.0001945100000000 ] - [ 0.0002307500000000, -0.0004795200000000, 0.0004450500000000 ] - [ -0.0003645800000000, -0.0003398000000000, 0.0005997300000000 ] - [ -0.3084448100000000, 0.0081457800000000, -0.0073728900000000 ] - [ 0.0004182100000000, -0.0002183800000000, -0.0008752900000000 ] - [ 0.0005245500000000, 0.0001954500000000, -0.0007895200000000 ] - [ 0.0011088700000000, 0.0003309100000000, 0.0007785700000000 ] - [ 0.0001391000000000, 0.0001586100000000, -0.0003080600000000 ] - [ -0.0027986800000000, 0.0033892000000000, 0.0028865500000000 ] - [ 0.0074209800000000, 0.0031248500000000, 0.0028846300000000 ] - [ 0.0000320400000000, -0.0003247000000000, -0.0002519600000000 ] - [ -0.0000911200000000, 0.0007493700000000, -0.0001524100000000 ] - [ 0.0003200200000000, 0.0003317100000000, -0.0005188100000000 ] - [ 0.0196006200000000, -0.0236538300000000, 0.0246277800000000 ] - [ -0.0002500100000000, -0.0003249100000000, -0.0002078400000000 ] - [ -0.0003227000000000, -0.0002295100000000, 0.0007074500000000 ] - [ -0.0006756800000000, -0.0004233100000000, -0.0006706300000000 ] - [ 0.0008934300000000, 0.0011009200000000, -0.0028855400000000 ] - [ -0.0002212900000000, 0.0001358500000000, 0.0009693300000000 ] - [ 0.0341565700000000, 0.0372158700000000, -0.0140834700000000 ] - [ -0.0000564500000000, 0.0001640400000000, 0.0002922300000000 ] - [ -0.0000754800000000, -0.0002634300000000, 0.0003655800000000 ] - [ 0.0000173400000000, 0.0000653800000000, -0.0002500400000000 ] - [ 0.0004890300000000, -0.0002020700000000, -0.0005893400000000 ] - [ 0.0001905200000000, 0.0005975900000000, 0.0006469600000000 ] - [ 0.0008725300000000, -0.0009727100000000, -0.0009151700000000 ] - [ -0.0001240100000000, 0.0005541300000000, -0.0000181300000000 ] - [ -0.0000991600000000, -0.0002796500000000, -0.0003587900000000 ] - [ 0.0007669500000000, -0.0005610800000000, 0.0002532400000000 ] - [ 0.0003198200000000, 0.0002546600000000, 0.0003040400000000 ] - [ -0.0009903200000000, 0.0001746500000000, -0.0001148800000000 ] - [ 0.0007814900000000, -0.0002034000000000, -0.0001320000000000 ] - [ -0.0000120100000000, 0.0005667300000000, 0.0000651100000000 ] - [ 0.0000468800000000, -0.0003636100000000, -0.0000573800000000 ] - [ -0.0000398300000000, 0.0004242100000000, 0.0001677800000000 ] - [ -0.0003062200000000, -0.0002745900000000, -0.0002749100000000 ] - [ 0.0009937700000000, -0.0002517700000000, 0.0001820000000000 ] - [ 0.0002661600000000, 0.0002079800000000, 0.0015875100000000 ] - [ -0.0003778200000000, 0.0002666700000000, -0.0004192000000000 ] - [ 0.0017340700000000, -0.0001000900000000, -0.0006781800000000 ] - [ 0.0002982200000000, 0.0003500900000000, -0.0000061600000000 ] - [ 0.0001941200000000, -0.0003535800000000, -0.0000696500000000 ] - [ 0.0003481000000000, -0.0005952400000000, 0.0001061300000000 ] - [ 0.0001677100000000, 0.0004867200000000, 0.0003277200000000 ] - [ 0.0155416200000000, -0.0200377400000000, -0.0051039700000000 ] - [ 0.0002048100000000, -0.0009779900000000, 0.0002550900000000 ] - [ 0.0001965900000000, -0.0005147200000000, 0.0003311000000000 ] - [ -0.0002919000000000, -0.0005836600000000, 0.0016566300000000 ] - [ -0.0000237900000000, 0.0003050400000000, 0.0001867700000000 ] - [ 0.0000778700000000, -0.0002553200000000, 0.0002708300000000 ] - [ 0.0001587000000000, -0.0011139000000000, -0.0000952000000000 ] - [ 0.0442684000000000, 0.0065815900000000, 0.0272190500000000 ] - [ 0.0000596800000000, 0.0002832100000000, 0.0000869000000000 ] - [ -0.0001016300000000, -0.0003792600000000, 0.0002158500000000 ] - [ -0.0001710300000000, -0.0002777000000000, -0.0005372100000000 ] - [ 0.0001598400000000, 0.0001414200000000, 0.0002368600000000 ] - [ 0.0003189300000000, -0.0009954000000000, -0.0003023000000000 ] - [ -0.0002167200000000, 0.0001270000000000, -0.0002038500000000 ] - [ 0.0004045400000000, -0.0001511300000000, 0.0005840400000000 ] - [ 0.0257129300000000, 0.0002491100000000, -0.0128660900000000 ] - [ -0.0002175900000000, -0.0002577900000000, 0.0006026600000000 ] - [ -0.0001419900000000, 0.0001557500000000, 0.0004036000000000 ] - [ -0.0000948400000000, 0.0008281600000000, 0.0004088200000000 ] - [ -0.0001886600000000, 0.0003349300000000, -0.0000649300000000 ] - [ 0.0000300800000000, 0.0001420900000000, 0.0003384500000000 ] - [ 0.0132975000000000, -0.0200493800000000, -0.0007576600000000 ] - [ -0.0002651100000000, -0.0003659100000000, 0.0000105000000000 ] - [ 0.0004070700000000, 0.0004551300000000, 0.0004108900000000 ] - [ -0.0002593000000000, 0.0004539400000000, -0.0003005800000000 ] - [ -0.0001692300000000, -0.0005022300000000, -0.0003302200000000 ] - [ 0.0015855600000000, -0.0000984100000000, 0.0017491800000000 ] - [ -0.0001664800000000, 0.0002644800000000, -0.0003079500000000 ] - [ 0.0000126600000000, 0.0003265300000000, 0.0002125900000000 ] - [ 0.0559713300000000, 0.0100586200000000, 0.0257463600000000 ] - [ -0.0002417000000000, -0.0002393200000000, -0.0003515400000000 ] - [ -0.0000726300000000, 0.0002549100000000, -0.0002018200000000 ] - [ 0.0003651500000000, -0.0000391200000000, 0.0001487900000000 ] - [ 0.0034399300000000, 0.0004895000000000, -0.0014134500000000 ] - [ -0.0002465700000000, -0.0003031900000000, -0.0003344100000000 ] - [ 0.0002035300000000, 0.0003401500000000, 0.0002511000000000 ] - [ 0.0001728300000000, 0.0002779600000000, -0.0005888700000000 ] - [ -0.0003831100000000, 0.0000090900000000, -0.0004772000000000 ] - [ 0.0017827600000000, -0.0016657800000000, 0.0009926000000000 ] - [ -0.0001636600000000, -0.0002961200000000, -0.0004805300000000 ] - [ -0.0002856500000000, -0.0000326100000000, 0.0003344200000000 ] - [ 0.0005659000000000, -0.0001632300000000, 0.0002704400000000 ] - [ 0.0001019100000000, 0.0002123400000000, -0.0004907700000000 ]- atom: 5 displacement: [ -0.0099999862199687, 0.0000000000000000, -0.0000166012179150 ] forces: - [ -0.0790999000000000, 0.0030034000000000, 0.0423055500000000 ] - [ 0.0002368900000000, 0.0003411400000000, 0.0002476800000000 ] - [ 0.0003256500000000, -0.0004133700000000, -0.0000152100000000 ] - [ -0.0001813200000000, -0.0005675800000000, -0.0010452500000000 ] - [ 0.3034550700000000, -0.0093872600000000, 0.0107076900000000 ] - [ 0.0002331100000000, -0.0000496800000000, -0.0007385000000000 ] - [ 0.0001254700000000, 0.0000805100000000, -0.0008372300000000 ] - [ -0.0017716500000000, -0.0000628800000000, 0.0008478300000000 ] - [ -0.0000634900000000, 0.0001510100000000, -0.0003601900000000 ] - [ 0.0026063200000000, -0.0031214200000000, -0.0022169700000000 ] - [ -0.0076696300000000, -0.0035048500000000, -0.0023380400000000 ] - [ 0.0000514700000000, 0.0000131800000000, -0.0004080900000000 ] - [ -0.0004713100000000, 0.0001505600000000, -0.0002813300000000 ] - [ 0.0002328500000000, 0.0005622200000000, 0.0009557300000000 ] - [ -0.0192220500000000, 0.0229731300000000, -0.0245690900000000 ] - [ -0.0003154900000000, -0.0005750400000000, -0.0002217600000000 ] - [ -0.0003382500000000, -0.0000454300000000, 0.0009167700000000 ] - [ 0.0013456600000000, 0.0001583000000000, -0.0009740100000000 ] - [ -0.0002615700000000, -0.0008254600000000, 0.0012593600000000 ] - [ -0.0004302100000000, 0.0001355800000000, 0.0006463900000000 ] - [ -0.0331629800000000, -0.0360300000000000, 0.0131958900000000 ] - [ -0.0000307200000000, 0.0001523600000000, 0.0003712000000000 ] - [ -0.0000157600000000, -0.0000467700000000, 0.0002962300000000 ] - [ 0.0000788800000000, -0.0003854500000000, -0.0004122500000000 ] - [ -0.0004994900000000, -0.0009848500000000, 0.0005886300000000 ] - [ -0.0001928500000000, 0.0005906000000000, -0.0006357600000000 ] - [ -0.0008907300000000, 0.0000144400000000, 0.0009202500000000 ] - [ 0.0001180900000000, 0.0004170800000000, 0.0000168100000000 ] - [ -0.0005311700000000, -0.0002410400000000, -0.0002751400000000 ] - [ -0.0001387000000000, 0.0000325800000000, 0.0003786400000000 ] - [ 0.0002984800000000, 0.0002689900000000, 0.0003345000000000 ] - [ 0.0003673800000000, 0.0003454300000000, -0.0005137500000000 ] - [ -0.0007847000000000, -0.0009909900000000, 0.0001274800000000 ] - [ 0.0000116700000000, 0.0006177300000000, -0.0000623600000000 ] - [ -0.0000439200000000, -0.0006111800000000, 0.0000566600000000 ] - [ 0.0000432500000000, 0.0005511600000000, -0.0001681200000000 ] - [ -0.0003134700000000, -0.0002499500000000, -0.0003625300000000 ] - [ -0.0003688000000000, -0.0002765300000000, 0.0004535000000000 ] - [ 0.0003631200000000, 0.0003180200000000, -0.0009620400000000 ] - [ -0.0002443200000000, 0.0002576400000000, -0.0002187100000000 ] - [ -0.0022451300000000, 0.0008204700000000, 0.0006952800000000 ] - [ 0.0002190600000000, 0.0003892700000000, 0.0000093700000000 ] - [ 0.0003184200000000, -0.0003845700000000, 0.0000734000000000 ] - [ -0.0008425400000000, -0.0001365400000000, -0.0001285800000000 ] - [ 0.0002056300000000, 0.0005128600000000, 0.0003178200000000 ] - [ -0.0158462300000000, 0.0205245800000000, 0.0043288700000000 ] - [ -0.0005796200000000, -0.0000134300000000, -0.0008996500000000 ] - [ 0.0001804500000000, -0.0004971300000000, 0.0003079200000000 ] - [ 0.0001180200000000, 0.0011442000000000, -0.0021631300000000 ] - [ 0.0002038100000000, 0.0002487800000000, 0.0003048100000000 ] - [ 0.0001006900000000, -0.0002976600000000, 0.0002302000000000 ] - [ -0.0003251300000000, 0.0005557000000000, -0.0003935000000000 ] - [ -0.0460925500000000, -0.0062917400000000, -0.0290452600000000 ] - [ 0.0000281000000000, 0.0003350500000000, 0.0003488900000000 ] - [ 0.0001870600000000, -0.0002309900000000, 0.0002036600000000 ] - [ 0.0000907400000000, -0.0003642100000000, 0.0001282900000000 ] - [ 0.0002097100000000, 0.0001841200000000, 0.0002534400000000 ] - [ -0.0006470200000000, 0.0013120400000000, -0.0001853900000000 ] - [ -0.0001512600000000, -0.0004580400000000, -0.0002867900000000 ] - [ -0.0000264100000000, -0.0001813200000000, -0.0000786600000000 ] - [ -0.0256888200000000, -0.0006899900000000, 0.0122392300000000 ] - [ 0.0001583900000000, -0.0001139500000000, 0.0003024600000000 ] - [ 0.0000720200000000, 0.0002056700000000, 0.0005174800000000 ] - [ 0.0001966800000000, -0.0004175300000000, -0.0012900800000000 ] - [ -0.0003290600000000, 0.0004075300000000, 0.0000523300000000 ] - [ 0.0004857100000000, 0.0005952700000000, -0.0003322800000000 ] - [ -0.0128472400000000, 0.0195486400000000, 0.0008057900000000 ] - [ -0.0002510200000000, -0.0003615400000000, -0.0000078300000000 ] - [ -0.0000197400000000, 0.0005493900000000, 0.0002200400000000 ] - [ -0.0001267000000000, 0.0005542700000000, -0.0003381900000000 ] - [ -0.0002060000000000, -0.0005058800000000, -0.0003138400000000 ] - [ -0.0012385600000000, -0.0009452600000000, -0.0010492100000000 ] - [ -0.0000090300000000, 0.0002929100000000, -0.0001894100000000 ] - [ 0.0001729100000000, 0.0002257500000000, 0.0002825600000000 ] - [ -0.0528949000000000, -0.0099091500000000, -0.0237068200000000 ] - [ 0.0000548300000000, -0.0003153200000000, -0.0001417300000000 ] - [ -0.0000122900000000, 0.0003645300000000, -0.0002220200000000 ] - [ -0.0002929900000000, 0.0006588800000000, 0.0002652100000000 ] - [ -0.0033143500000000, -0.0010694900000000, 0.0017804300000000 ] - [ 0.0001647600000000, -0.0003114100000000, -0.0000890000000000 ] - [ 0.0001700500000000, -0.0000118000000000, 0.0002460100000000 ] - [ -0.0005525600000000, 0.0000365300000000, 0.0000929000000000 ] - [ 0.0000123700000000, -0.0003360300000000, -0.0000138700000000 ] - [ -0.0013955100000000, 0.0013423300000000, -0.0005091900000000 ] - [ 0.0002284900000000, -0.0000655300000000, -0.0004345100000000 ] - [ 0.0001710400000000, -0.0003495700000000, 0.0005910600000000 ] - [ -0.0006281600000000, 0.0005325700000000, 0.0006412800000000 ] - [ -0.0000370300000000, 0.0001513900000000, -0.0004302500000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0146920300000000, 0.0082588800000000, 0.0047476000000000 ] - [ 0.0002191000000000, 0.0005846000000000, 0.0002155800000000 ] - [ 0.0001461800000000, -0.0003785700000000, 0.0004932300000000 ] - [ -0.0005731300000000, -0.0002333100000000, -0.0002109500000000 ] - [ 0.0078887200000000, -0.3044294700000000, -0.0086939200000000 ] - [ 0.0004005800000000, -0.0002914300000000, -0.0007946600000000 ] - [ 0.0003832600000000, 0.0003325700000000, -0.0009656300000000 ] - [ -0.0005240400000000, -0.0002554300000000, 0.0009025300000000 ] - [ 0.0000505300000000, 0.0003748900000000, -0.0002101600000000 ] - [ 0.0039618800000000, 0.0043899000000000, -0.0003499000000000 ] - [ 0.0005085900000000, 0.0150741200000000, 0.0298927700000000 ] - [ 0.0001062400000000, -0.0000921100000000, -0.0004427800000000 ] - [ -0.0002769300000000, 0.0002146900000000, -0.0002317100000000 ] - [ 0.0000731000000000, 0.0004410400000000, -0.0000303400000000 ] - [ -0.0114217900000000, 0.0437683300000000, -0.0418829000000000 ] - [ -0.0001948100000000, -0.0004927800000000, -0.0001661600000000 ] - [ -0.0004128300000000, -0.0001923500000000, 0.0007303500000000 ] - [ 0.0006193300000000, -0.0006572600000000, -0.0012316900000000 ] - [ 0.0012890900000000, 0.0005548800000000, -0.0028693000000000 ] - [ -0.0003128400000000, 0.0001417200000000, 0.0008665200000000 ] - [ 0.0395823800000000, 0.0658530700000000, -0.0209459100000000 ] - [ -0.0000722700000000, 0.0002394900000000, 0.0002987500000000 ] - [ -0.0001318500000000, -0.0001925800000000, 0.0003835000000000 ] - [ 0.0004347500000000, 0.0000657400000000, 0.0001231300000000 ] - [ 0.0005974600000000, -0.0000300300000000, -0.0000780500000000 ] - [ 0.0000527500000000, 0.0009387600000000, -0.0000378800000000 ] - [ -0.0008814300000000, -0.0015136700000000, 0.0005552900000000 ] - [ 0.0000814600000000, 0.0003665000000000, 0.0000261100000000 ] - [ -0.0003470800000000, -0.0006161800000000, -0.0002096200000000 ] - [ 0.0007169400000000, -0.0002761700000000, 0.0002144400000000 ] - [ 0.0003476900000000, 0.0002624500000000, 0.0003030200000000 ] - [ 0.0003651100000000, 0.0013766800000000, -0.0003928500000000 ] - [ -0.0001071100000000, -0.0002314100000000, -0.0000528500000000 ] - [ -0.0001576100000000, 0.0005412700000000, 0.0001472100000000 ] - [ -0.0001131100000000, -0.0006259000000000, -0.0000763200000000 ] - [ -0.0000133700000000, 0.0005602700000000, 0.0000361000000000 ] - [ -0.0002948100000000, -0.0003066600000000, -0.0003212300000000 ] - [ 0.0000245600000000, -0.0002412000000000, 0.0003289900000000 ] - [ 0.0000843300000000, 0.0004138600000000, 0.0005061400000000 ] - [ -0.0003291000000000, 0.0003064100000000, -0.0003310800000000 ] - [ -0.0012469300000000, 0.0000840800000000, 0.0019467000000000 ] - [ 0.0001639100000000, 0.0003478200000000, 0.0000579700000000 ] - [ 0.0002880100000000, -0.0003671600000000, -0.0000723100000000 ] - [ -0.0007743700000000, -0.0002719000000000, 0.0000488100000000 ] - [ 0.0001762300000000, 0.0004794300000000, 0.0002936500000000 ] - [ -0.0235508300000000, 0.0644799200000000, 0.0195950500000000 ] - [ 0.0002049700000000, -0.0009892700000000, -0.0004693600000000 ] - [ 0.0002029000000000, -0.0004961700000000, 0.0003126600000000 ] - [ -0.0011307200000000, 0.0016673900000000, -0.0005349400000000 ] - [ 0.0000688600000000, 0.0003013600000000, 0.0002134700000000 ] - [ 0.0001482900000000, -0.0003020500000000, 0.0002839100000000 ] - [ -0.0004040000000000, 0.0002712300000000, 0.0001233900000000 ] - [ 0.0069080000000000, 0.0086655800000000, 0.0088369300000000 ] - [ -0.0001869400000000, 0.0002863400000000, 0.0002876100000000 ] - [ 0.0001366900000000, -0.0001302500000000, 0.0001453200000000 ] - [ -0.0001298800000000, -0.0003109800000000, -0.0007324100000000 ] - [ 0.0000834200000000, 0.0001332300000000, 0.0001470000000000 ] - [ -0.0022430000000000, 0.0016712800000000, -0.0010729600000000 ] - [ -0.0002098900000000, 0.0001834800000000, -0.0002840200000000 ] - [ 0.0009039900000000, -0.0006738500000000, 0.0001317200000000 ] - [ -0.0025456200000000, 0.0176587100000000, -0.0085355900000000 ] - [ -0.0002161700000000, -0.0002450700000000, 0.0004830000000000 ] - [ -0.0000483400000000, 0.0001426200000000, 0.0005034900000000 ] - [ 0.0009287000000000, 0.0005519000000000, 0.0001394200000000 ] - [ -0.0002337700000000, 0.0003570800000000, 0.0000788500000000 ] - [ 0.0002856700000000, 0.0006180600000000, -0.0001921500000000 ] - [ -0.0155304200000000, 0.0573239700000000, 0.0116851100000000 ] - [ -0.0002392900000000, -0.0003571700000000, 0.0000081100000000 ] - [ 0.0001076700000000, 0.0003498100000000, 0.0002246600000000 ] - [ -0.0001424200000000, 0.0006360500000000, -0.0003236300000000 ] - [ -0.0002239400000000, -0.0004659800000000, -0.0003163000000000 ] - [ 0.0010432800000000, 0.0023195800000000, -0.0007651600000000 ] - [ -0.0001286500000000, 0.0002853200000000, -0.0003101700000000 ] - [ -0.0000340700000000, 0.0002913200000000, 0.0002482500000000 ] - [ 0.0094635800000000, 0.0085951100000000, 0.0078570500000000 ] - [ -0.0001715300000000, -0.0002673000000000, -0.0003265900000000 ] - [ 0.0001295900000000, 0.0003320500000000, -0.0001600700000000 ] - [ 0.0000856500000000, 0.0002817500000000, 0.0003115600000000 ] - [ 0.0008269200000000, 0.0025395200000000, 0.0000475500000000 ] - [ -0.0001266100000000, -0.0003079600000000, -0.0002292900000000 ] - [ -0.0000506000000000, -0.0000216400000000, 0.0002338900000000 ] - [ -0.0003887200000000, 0.0005769100000000, 0.0004375600000000 ] - [ -0.0002492200000000, -0.0001686100000000, -0.0004710000000000 ] - [ 0.0010663100000000, -0.0015846800000000, -0.0006906100000000 ] - [ 0.0000376800000000, -0.0001950900000000, -0.0004639500000000 ] - [ 0.0002119300000000, 0.0013678200000000, 0.0010659100000000 ] - [ -0.0003791900000000, 0.0001490900000000, 0.0003777300000000 ] - [ 0.0000349500000000, 0.0002036700000000, -0.0004211500000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0142047800000000, -0.0074717000000000, -0.0052434300000000 ] - [ 0.0003213500000000, 0.0003084400000000, 0.0002222600000000 ] - [ 0.0003991100000000, -0.0005120200000000, -0.0000671700000000 ] - [ 0.0000429000000000, -0.0006810800000000, -0.0002358300000000 ] - [ -0.0097294900000000, 0.3010124300000000, 0.0124994800000000 ] - [ 0.0002505900000000, 0.0000227600000000, -0.0008221100000000 ] - [ 0.0002764900000000, -0.0000535600000000, -0.0006720500000000 ] - [ -0.0001543900000000, 0.0005252100000000, 0.0007357700000000 ] - [ 0.0000299200000000, -0.0000619500000000, -0.0004464800000000 ] - [ -0.0041248900000000, -0.0040369300000000, 0.0011351200000000 ] - [ -0.0004614000000000, -0.0156136700000000, -0.0295743500000000 ] - [ -0.0000231400000000, -0.0002183800000000, -0.0002133000000000 ] - [ -0.0002706500000000, 0.0006717800000000, -0.0002045300000000 ] - [ 0.0004753900000000, 0.0004589600000000, 0.0004620800000000 ] - [ 0.0115630500000000, -0.0434121300000000, 0.0413315800000000 ] - [ -0.0003580300000000, -0.0004063200000000, -0.0002634300000000 ] - [ -0.0002472600000000, -0.0000875200000000, 0.0009056900000000 ] - [ 0.0000512900000000, 0.0003942400000000, -0.0004079600000000 ] - [ -0.0006172400000000, -0.0003036000000000, 0.0012279500000000 ] - [ -0.0003413800000000, 0.0001237500000000, 0.0007436200000000 ] - [ -0.0382702500000000, -0.0633081600000000, 0.0196200700000000 ] - [ -0.0000153100000000, 0.0000701000000000, 0.0003611200000000 ] - [ 0.0000382700000000, -0.0001238100000000, 0.0002728500000000 ] - [ -0.0003395700000000, -0.0003588000000000, -0.0007755900000000 ] - [ -0.0005971400000000, -0.0011390500000000, 0.0000775100000000 ] - [ -0.0000586200000000, 0.0002376500000000, 0.0000451300000000 ] - [ 0.0008660500000000, 0.0005300300000000, -0.0005575700000000 ] - [ -0.0000855900000000, 0.0006079300000000, -0.0000303500000000 ] - [ -0.0002707600000000, 0.0001061500000000, -0.0004329500000000 ] - [ -0.0001034700000000, -0.0002412600000000, 0.0004304800000000 ] - [ 0.0002617600000000, 0.0002454400000000, 0.0003480700000000 ] - [ -0.0009690300000000, -0.0008744700000000, -0.0002453400000000 ] - [ 0.0001056100000000, -0.0009514300000000, 0.0000524300000000 ] - [ 0.0001578500000000, 0.0006411700000000, -0.0001481000000000 ] - [ 0.0001142000000000, -0.0003459400000000, 0.0000764600000000 ] - [ 0.0000123800000000, 0.0004069300000000, -0.0000362200000000 ] - [ -0.0003171500000000, -0.0002002800000000, -0.0003285300000000 ] - [ 0.0005808500000000, -0.0002605700000000, 0.0003189000000000 ] - [ 0.0005315700000000, 0.0000960300000000, 0.0001286400000000 ] - [ -0.0002820500000000, 0.0002008800000000, -0.0003201500000000 ] - [ 0.0007482600000000, 0.0006510600000000, -0.0019673100000000 ] - [ 0.0003471700000000, 0.0003891600000000, -0.0000530900000000 ] - [ 0.0002185700000000, -0.0003689800000000, 0.0000773000000000 ] - [ 0.0002885500000000, -0.0004860900000000, -0.0000770600000000 ] - [ 0.0001951500000000, 0.0005193800000000, 0.0003477500000000 ] - [ 0.0244227000000000, -0.0661266500000000, -0.0212962100000000 ] - [ -0.0005758100000000, -0.0000221700000000, -0.0001612600000000 ] - [ 0.0001716500000000, -0.0005081000000000, 0.0003228800000000 ] - [ 0.0009273600000000, -0.0011412900000000, 0.0001226800000000 ] - [ 0.0001166900000000, 0.0002545500000000, 0.0002831700000000 ] - [ 0.0000342400000000, -0.0002549000000000, 0.0002198800000000 ] - [ 0.0002299700000000, -0.0008392300000000, -0.0006423500000000 ] - [ -0.0070932700000000, -0.0080523000000000, -0.0092665000000000 ] - [ 0.0002798900000000, 0.0003333100000000, 0.0001456300000000 ] - [ -0.0000419500000000, -0.0004820300000000, 0.0002745500000000 ] - [ 0.0000473800000000, -0.0003292600000000, 0.0003212600000000 ] - [ 0.0002848700000000, 0.0001877100000000, 0.0003423900000000 ] - [ 0.0018873300000000, -0.0013769400000000, 0.0005661800000000 ] - [ -0.0001602700000000, -0.0005127300000000, -0.0002123700000000 ] - [ -0.0005208900000000, 0.0003413900000000, 0.0003701200000000 ] - [ 0.0025571800000000, -0.0182187400000000, 0.0077854200000000 ] - [ 0.0001586800000000, -0.0001194000000000, 0.0004256000000000 ] - [ -0.0000172400000000, 0.0002141600000000, 0.0004183800000000 ] - [ -0.0008330900000000, -0.0001578300000000, -0.0010594700000000 ] - [ -0.0002782600000000, 0.0003818500000000, -0.0000927600000000 ] - [ 0.0002251000000000, 0.0001165600000000, 0.0002033800000000 ] - [ 0.0150420600000000, -0.0549737200000000, -0.0111449100000000 ] - [ -0.0002703600000000, -0.0003691600000000, -0.0000087800000000 ] - [ 0.0002707100000000, 0.0006438500000000, 0.0003954600000000 ] - [ -0.0002381500000000, 0.0003698000000000, -0.0003123100000000 ] - [ -0.0001492400000000, -0.0005347000000000, -0.0003235500000000 ] - [ -0.0006288200000000, -0.0032783900000000, 0.0013202300000000 ] - [ -0.0000526200000000, 0.0002738800000000, -0.0001898800000000 ] - [ 0.0002205300000000, 0.0002655000000000, 0.0002502600000000 ] - [ -0.0091515500000000, -0.0092829900000000, -0.0072103300000000 ] - [ -0.0000182900000000, -0.0002909100000000, -0.0001664900000000 ] - [ -0.0002220600000000, 0.0002856600000000, -0.0002664400000000 ] - [ -0.0000027700000000, 0.0003389100000000, 0.0001021800000000 ] - [ -0.0007962500000000, -0.0032043300000000, 0.0004324600000000 ] - [ 0.0000397500000000, -0.0003096200000000, -0.0001955500000000 ] - [ 0.0004253100000000, 0.0003495300000000, 0.0002602800000000 ] - [ 0.0000321400000000, -0.0002531400000000, -0.0009402400000000 ] - [ -0.0001188900000000, -0.0001572900000000, -0.0000190200000000 ] - [ -0.0007470100000000, 0.0012864300000000, 0.0011737600000000 ] - [ 0.0000218800000000, -0.0001614500000000, -0.0004525100000000 ] - [ -0.0002643300000000, -0.0017476200000000, -0.0001261800000000 ] - [ 0.0003177000000000, 0.0002031600000000, 0.0005518800000000 ] - [ 0.0000237100000000, 0.0001568200000000, -0.0004982200000000 ]- atom: 5 displacement: [ -0.0002562758177658, 0.0000000000000000, 0.0099967155958959 ] forces: - [ -0.0326910600000000, -0.0026642200000000, 0.0281212300000000 ] - [ 0.0003426500000000, 0.0004934300000000, 0.0001642500000000 ] - [ 0.0003935800000000, -0.0004330600000000, 0.0001855300000000 ] - [ -0.0001838600000000, -0.0004106600000000, -0.0002895300000000 ] - [ -0.0008367500000000, -0.0106473200000000, -0.2722323900000000 ] - [ 0.0002830200000000, -0.0001658300000000, -0.0006798800000000 ] - [ 0.0003729000000000, 0.0000159700000000, -0.0006163900000000 ] - [ -0.0004181200000000, 0.0000432900000000, 0.0012119700000000 ] - [ 0.0001465700000000, 0.0000018500000000, -0.0005120000000000 ] - [ 0.0030345800000000, -0.0013631600000000, 0.0041117200000000 ] - [ -0.0072644800000000, 0.0141536500000000, 0.0834657100000000 ] - [ -0.0000697300000000, -0.0002383700000000, -0.0002210100000000 ] - [ -0.0002643500000000, 0.0009257200000000, -0.0003841100000000 ] - [ -0.0000767400000000, 0.0005958100000000, -0.0002602900000000 ] - [ 0.0088848600000000, -0.0383950100000000, 0.0507557300000000 ] - [ -0.0004088100000000, -0.0003081200000000, -0.0002417800000000 ] - [ -0.0004653700000000, -0.0002422300000000, 0.0006122100000000 ] - [ 0.0005748500000000, 0.0002482600000000, -0.0015556700000000 ] - [ -0.0016815100000000, -0.0018766900000000, 0.0031674500000000 ] - [ -0.0002169200000000, 0.0001039500000000, 0.0008131000000000 ] - [ -0.0049820200000000, -0.0042978100000000, 0.0136138700000000 ] - [ -0.0000615200000000, 0.0000922700000000, 0.0003333100000000 ] - [ -0.0000235600000000, -0.0001580400000000, 0.0004267300000000 ] - [ 0.0006899000000000, -0.0003451000000000, 0.0001128800000000 ] - [ -0.0003300700000000, -0.0006905800000000, -0.0006632400000000 ] - [ -0.0000774700000000, 0.0006825100000000, 0.0008651100000000 ] - [ -0.0003690800000000, -0.0001176700000000, -0.0010946400000000 ] - [ -0.0001329700000000, 0.0004835600000000, 0.0001706700000000 ] - [ -0.0006223800000000, 0.0001529900000000, 0.0005186500000000 ] - [ 0.0011568900000000, -0.0006559400000000, 0.0002766300000000 ] - [ 0.0001502300000000, 0.0002170300000000, 0.0003805900000000 ] - [ 0.0000818400000000, 0.0009635000000000, -0.0004505100000000 ] - [ -0.0001640100000000, -0.0005898600000000, 0.0000221100000000 ] - [ 0.0000491100000000, 0.0005559700000000, 0.0000937500000000 ] - [ -0.0000605600000000, -0.0005166700000000, -0.0001934800000000 ] - [ 0.0000404600000000, 0.0005349600000000, 0.0000071700000000 ] - [ -0.0002499700000000, -0.0002524500000000, -0.0003344800000000 ] - [ -0.0000074800000000, 0.0000186600000000, 0.0009111800000000 ] - [ 0.0008294800000000, 0.0003880700000000, 0.0006789300000000 ] - [ -0.0002424800000000, 0.0002170400000000, -0.0003591000000000 ] - [ -0.0005062500000000, 0.0018703800000000, 0.0017935200000000 ] - [ 0.0003360000000000, 0.0003797700000000, 0.0000005100000000 ] - [ 0.0001683200000000, -0.0003451700000000, -0.0000271100000000 ] - [ -0.0008557300000000, -0.0004260500000000, 0.0007254900000000 ] - [ 0.0001761000000000, 0.0004796300000000, 0.0003172000000000 ] - [ -0.0032379000000000, 0.0163988400000000, 0.0092697300000000 ] - [ 0.0002050100000000, -0.0000288200000000, -0.0000270900000000 ] - [ 0.0001677500000000, -0.0005723200000000, 0.0003809800000000 ] - [ 0.0010145500000000, 0.0009747100000000, 0.0023252200000000 ] - [ -0.0000251300000000, 0.0003062800000000, 0.0001466900000000 ] - [ 0.0002618800000000, -0.0001938500000000, 0.0003479900000000 ] - [ -0.0001601100000000, 0.0006918500000000, -0.0001133200000000 ] - [ 0.0194353300000000, 0.0079307300000000, 0.0157413400000000 ] - [ 0.0002427100000000, 0.0002792200000000, 0.0000358000000000 ] - [ -0.0002440800000000, -0.0007086300000000, 0.0003728100000000 ] - [ -0.0003622300000000, -0.0003980200000000, -0.0008412600000000 ] - [ 0.0002082600000000, 0.0002101100000000, 0.0002958800000000 ] - [ 0.0007682300000000, 0.0002390100000000, -0.0001225500000000 ] - [ -0.0001713600000000, -0.0004957800000000, -0.0003036400000000 ] - [ 0.0002297600000000, -0.0002044900000000, 0.0002637300000000 ] - [ -0.0109737700000000, -0.0102169900000000, 0.0340338200000000 ] - [ 0.0001921400000000, -0.0001421500000000, 0.0007445000000000 ] - [ -0.0000723900000000, 0.0001641900000000, 0.0003432600000000 ] - [ 0.0012882300000000, 0.0012110900000000, -0.0006410400000000 ] - [ -0.0002586900000000, 0.0004130900000000, 0.0000026600000000 ] - [ 0.0002588600000000, 0.0002832200000000, 0.0002767900000000 ] - [ -0.0024960200000000, 0.0178755500000000, 0.0069524000000000 ] - [ -0.0002362100000000, -0.0003321800000000, -0.0000476900000000 ] - [ 0.0000779900000000, 0.0005307800000000, -0.0000553700000000 ] - [ -0.0003420400000000, 0.0004517600000000, -0.0002769800000000 ] - [ -0.0001401400000000, -0.0005502800000000, -0.0003222200000000 ] - [ 0.0014024600000000, -0.0016632100000000, 0.0005785700000000 ] - [ -0.0001327300000000, 0.0002316800000000, -0.0002912200000000 ] - [ -0.0001584300000000, 0.0002214700000000, -0.0000385700000000 ] - [ 0.0298354900000000, 0.0078675100000000, 0.0185086500000000 ] - [ -0.0000945300000000, -0.0002667400000000, -0.0002238500000000 ] - [ 0.0000530800000000, 0.0003249800000000, -0.0001615100000000 ] - [ -0.0002727400000000, 0.0005515900000000, 0.0001623500000000 ] - [ -0.0006962300000000, 0.0001917100000000, -0.0003193600000000 ] - [ -0.0000180400000000, -0.0003112300000000, -0.0002451300000000 ] - [ 0.0000049700000000, 0.0000219300000000, 0.0003532100000000 ] - [ 0.0000788000000000, 0.0004276900000000, -0.0002495000000000 ] - [ -0.0001400800000000, -0.0002458700000000, -0.0003648200000000 ] - [ 0.0001543700000000, -0.0001126900000000, -0.0005724600000000 ] - [ -0.0000237800000000, -0.0002254100000000, -0.0004110200000000 ] - [ -0.0000586300000000, -0.0001783400000000, 0.0011576500000000 ] - [ -0.0000400900000000, 0.0004269700000000, 0.0001262400000000 ] - [ 0.0000274100000000, 0.0001427600000000, -0.0005332900000000 ]- atom: 5 displacement: [ 0.0002562758177658, 0.0000000000000000, -0.0099967155958959 ] forces: - [ 0.0328212400000000, 0.0034227100000000, -0.0289563900000000 ] - [ 0.0002118700000000, 0.0004150000000000, 0.0002748500000000 ] - [ 0.0001704100000000, -0.0004670600000000, 0.0002442800000000 ] - [ -0.0003511700000000, -0.0005208000000000, -0.0001677800000000 ] - [ 0.0006768300000000, 0.0110128100000000, 0.2782149100000000 ] - [ 0.0003603400000000, -0.0000971000000000, -0.0009375600000000 ] - [ 0.0002828600000000, 0.0002631400000000, -0.0010183400000000 ] - [ -0.0002454300000000, 0.0002021600000000, 0.0004461000000000 ] - [ -0.0000714800000000, 0.0003004400000000, -0.0001544600000000 ] - [ -0.0031968400000000, 0.0016875000000000, -0.0033306900000000 ] - [ 0.0073649600000000, -0.0151530300000000, -0.0861782500000000 ] - [ 0.0001447900000000, -0.0000674500000000, -0.0004333000000000 ] - [ -0.0003057300000000, -0.0000160600000000, -0.0000497400000000 ] - [ 0.0006401000000000, 0.0002950500000000, 0.0006942300000000 ] - [ -0.0088574400000000, 0.0385074100000000, -0.0517942600000000 ] - [ -0.0001649200000000, -0.0005883400000000, -0.0001902800000000 ] - [ -0.0002020900000000, -0.0000350500000000, 0.0010238300000000 ] - [ 0.0001284700000000, -0.0005286200000000, -0.0000633800000000 ] - [ 0.0024270700000000, 0.0022263900000000, -0.0048751900000000 ] - [ -0.0004357500000000, 0.0001629100000000, 0.0007910100000000 ] - [ 0.0052260900000000, 0.0047489400000000, -0.0142984200000000 ] - [ -0.0000238600000000, 0.0002095800000000, 0.0003370400000000 ] - [ -0.0000674700000000, -0.0001454100000000, 0.0002319200000000 ] - [ -0.0006099500000000, 0.0000536300000000, -0.0007916800000000 ] - [ 0.0003088900000000, -0.0004986300000000, 0.0006547200000000 ] - [ 0.0000782400000000, 0.0004967600000000, -0.0008446800000000 ] - [ 0.0003620800000000, -0.0008372600000000, 0.0010796000000000 ] - [ 0.0001270400000000, 0.0004918300000000, -0.0001693800000000 ] - [ -0.0000003800000000, -0.0006456400000000, -0.0011498700000000 ] - [ -0.0005379100000000, 0.0001419500000000, 0.0003651100000000 ] - [ 0.0004550600000000, 0.0002884500000000, 0.0002734200000000 ] - [ -0.0006870600000000, -0.0004675000000000, -0.0001971500000000 ] - [ 0.0001580900000000, -0.0005947700000000, -0.0000247600000000 ] - [ -0.0000489400000000, 0.0006259800000000, -0.0000900400000000 ] - [ 0.0000610400000000, -0.0004584900000000, 0.0001908500000000 ] - [ -0.0000358000000000, 0.0004369100000000, -0.0000043900000000 ] - [ -0.0003601700000000, -0.0002544000000000, -0.0003170400000000 ] - [ 0.0006213600000000, -0.0005311000000000, -0.0002641300000000 ] - [ -0.0002091700000000, 0.0001207900000000, -0.0000405200000000 ] - [ -0.0003725900000000, 0.0002897000000000, -0.0002941900000000 ] - [ 0.0000333100000000, -0.0011531900000000, -0.0018377900000000 ] - [ 0.0001762000000000, 0.0003639500000000, 0.0000069700000000 ] - [ 0.0003379600000000, -0.0003941300000000, 0.0000321100000000 ] - [ 0.0003655700000000, -0.0003289400000000, -0.0007341100000000 ] - [ 0.0001933500000000, 0.0005150600000000, 0.0003203600000000 ] - [ 0.0030646000000000, -0.0158392300000000, -0.0098603900000000 ] - [ -0.0005710600000000, -0.0009581500000000, -0.0006082900000000 ] - [ 0.0002079700000000, -0.0004354700000000, 0.0002509400000000 ] - [ -0.0012003300000000, -0.0003875100000000, -0.0029127200000000 ] - [ 0.0002001700000000, 0.0002524400000000, 0.0003473400000000 ] - [ -0.0000843600000000, -0.0003601500000000, 0.0001585800000000 ] - [ -0.0000233600000000, -0.0012700400000000, -0.0004088500000000 ] - [ -0.0206754600000000, -0.0075143800000000, -0.0167391900000000 ] - [ -0.0001495400000000, 0.0003423900000000, 0.0003929300000000 ] - [ 0.0003282400000000, 0.0001002000000000, 0.0000418700000000 ] - [ 0.0002757100000000, -0.0002420900000000, 0.0004217300000000 ] - [ 0.0001630200000000, 0.0001161400000000, 0.0001967900000000 ] - [ -0.0011351100000000, 0.0000869600000000, -0.0003121900000000 ] - [ -0.0001980700000000, 0.0001612500000000, -0.0001902400000000 ] - [ 0.0001410200000000, -0.0001243200000000, 0.0002272300000000 ] - [ 0.0105824100000000, 0.0092835400000000, -0.0337526100000000 ] - [ -0.0002431400000000, -0.0002181400000000, 0.0001674000000000 ] - [ 0.0000012500000000, 0.0001842100000000, 0.0005872100000000 ] - [ -0.0012536000000000, -0.0009098900000000, -0.0002883800000000 ] - [ -0.0002569400000000, 0.0003347900000000, -0.0000187500000000 ] - [ 0.0002553100000000, 0.0004533500000000, -0.0002705700000000 ] - [ 0.0030091000000000, -0.0185311300000000, -0.0069059800000000 ] - [ -0.0002767100000000, -0.0003961500000000, 0.0000464400000000 ] - [ 0.0003095100000000, 0.0004830600000000, 0.0006898600000000 ] - [ -0.0000446800000000, 0.0005525800000000, -0.0003556600000000 ] - [ -0.0002350600000000, -0.0004564200000000, -0.0003151000000000 ] - [ -0.0010350700000000, 0.0006848800000000, 0.0000802700000000 ] - [ -0.0000414300000000, 0.0003291100000000, -0.0002058200000000 ] - [ 0.0003415500000000, 0.0003403700000000, 0.0005353800000000 ] - [ -0.0291429600000000, -0.0082644800000000, -0.0178328300000000 ] - [ -0.0000917700000000, -0.0002902700000000, -0.0002697000000000 ] - [ -0.0001384300000000, 0.0002973000000000, -0.0002594800000000 ] - [ 0.0003402100000000, 0.0000733600000000, 0.0002532700000000 ] - [ 0.0007991400000000, -0.0008069000000000, 0.0007529900000000 ] - [ -0.0000587300000000, -0.0003071900000000, -0.0001737600000000 ] - [ 0.0003671600000000, 0.0003031000000000, 0.0001428000000000 ] - [ -0.0004485700000000, -0.0000969600000000, -0.0002651400000000 ] - [ -0.0002345700000000, -0.0000844100000000, -0.0001280300000000 ] - [ 0.0001607800000000, -0.0001908200000000, 0.0011175600000000 ] - [ 0.0000831900000000, -0.0001294700000000, -0.0005087900000000 ] - [ -0.0000502800000000, -0.0001907000000000, -0.0002023700000000 ] - [ -0.0000234800000000, -0.0000806400000000, 0.0007984100000000 ] - [ 0.0000332900000000, 0.0002098300000000, -0.0003977100000000 ]- atom: 9 displacement: [ 0.0099999862199687, 0.0000000000000000, 0.0000166012179150 ] forces: - [ -0.0002257100000000, 0.0003699000000000, -0.0001374400000000 ] - [ 0.0002690000000000, 0.0008177500000000, -0.0008534500000000 ] - [ 0.0685256500000000, 0.0199049500000000, 0.0364501100000000 ] - [ -0.0002548200000000, -0.0004312500000000, -0.0001880100000000 ] - [ -0.0002668600000000, -0.0001715000000000, 0.0009723800000000 ] - [ -0.0022844600000000, -0.0042091900000000, 0.0022237400000000 ] - [ 0.0079865100000000, 0.0006817400000000, -0.0078900000000000 ] - [ -0.0003874900000000, 0.0001182400000000, 0.0007545800000000 ] - [ -0.3045640900000000, 0.0069815400000000, 0.0106990500000000 ] - [ 0.0000430600000000, 0.0001960400000000, 0.0003075200000000 ] - [ 0.0000021900000000, -0.0002128300000000, 0.0002977300000000 ] - [ 0.0008412900000000, 0.0000947200000000, -0.0001933500000000 ] - [ 0.0209261000000000, -0.0352150900000000, -0.0096871700000000 ] - [ 0.0002161400000000, 0.0003131200000000, 0.0002424100000000 ] - [ 0.0004144100000000, -0.0002940600000000, -0.0000559400000000 ] - [ -0.0000868100000000, -0.0001363800000000, 0.0001874200000000 ] - [ 0.0328218200000000, 0.0382572100000000, -0.0032293400000000 ] - [ 0.0003384600000000, -0.0001347300000000, -0.0008706100000000 ] - [ 0.0003317800000000, 0.0000838000000000, -0.0008327000000000 ] - [ -0.0003888500000000, -0.0002252900000000, 0.0015007800000000 ] - [ -0.0000352600000000, 0.0001814000000000, -0.0002483500000000 ] - [ 0.0001609000000000, -0.0006677100000000, -0.0006251500000000 ] - [ 0.0006488200000000, 0.0010406900000000, 0.0014020800000000 ] - [ 0.0000678400000000, -0.0001513200000000, -0.0003471100000000 ] - [ 0.0010327900000000, -0.0005115000000000, 0.0009994100000000 ] - [ 0.0001116800000000, 0.0009918300000000, -0.0002784700000000 ] - [ 0.0001851900000000, -0.0004865900000000, 0.0000527400000000 ] - [ 0.0001379700000000, -0.0000016600000000, -0.0004119800000000 ] - [ -0.0003120400000000, -0.0002382000000000, -0.0003327900000000 ] - [ -0.0002589900000000, -0.0004975700000000, 0.0002904700000000 ] - [ 0.0005235400000000, 0.0001059600000000, 0.0005445800000000 ] - [ 0.0000849900000000, 0.0000423100000000, -0.0001207400000000 ] - [ -0.0000535000000000, -0.0006232700000000, 0.0000223000000000 ] - [ -0.0000874000000000, 0.0005610000000000, -0.0000838600000000 ] - [ 0.0005727200000000, -0.0000504200000000, 0.0000575100000000 ] - [ -0.0000108900000000, 0.0005135400000000, -0.0000358100000000 ] - [ -0.0003611200000000, -0.0001905500000000, -0.0005799300000000 ] - [ 0.0002141400000000, -0.0002259400000000, 0.0004106500000000 ] - [ 0.0003089000000000, 0.0002538900000000, 0.0003079300000000 ] - [ 0.0001680300000000, -0.0005256500000000, -0.0000338600000000 ] - [ -0.0002626200000000, 0.0003698500000000, -0.0001230900000000 ] - [ 0.0007453500000000, 0.0004155600000000, 0.0001171500000000 ] - [ 0.0639656300000000, -0.0048087100000000, -0.0259791000000000 ] - [ -0.0002974100000000, -0.0003602900000000, 0.0000020400000000 ] - [ 0.0007297200000000, 0.0015495200000000, 0.0000229600000000 ] - [ -0.0001827000000000, 0.0004757600000000, -0.0003178000000000 ] - [ -0.0001895000000000, -0.0004760100000000, -0.0003167000000000 ] - [ 0.0137513900000000, -0.0106243900000000, 0.0094632200000000 ] - [ -0.0000509400000000, 0.0002823900000000, -0.0002382300000000 ] - [ -0.0001711200000000, 0.0001040300000000, -0.0002252200000000 ] - [ 0.0133018300000000, -0.0151475500000000, 0.0103330500000000 ] - [ -0.0001266500000000, -0.0002702400000000, -0.0002901200000000 ] - [ -0.0002544900000000, 0.0001882600000000, -0.0002335300000000 ] - [ -0.0001201500000000, 0.0002349400000000, 0.0005961400000000 ] - [ 0.0503802300000000, -0.0097854600000000, -0.0266090900000000 ] - [ -0.0001602700000000, -0.0002781000000000, -0.0001847000000000 ] - [ 0.0002029300000000, 0.0001451000000000, 0.0004445300000000 ] - [ -0.0001237000000000, -0.0002544000000000, -0.0009075200000000 ] - [ -0.0001617100000000, -0.0001216200000000, -0.0001820200000000 ] - [ -0.0001001300000000, 0.0003545900000000, 0.0018558100000000 ] - [ 0.0000452000000000, -0.0002499400000000, -0.0004695400000000 ] - [ 0.0229306400000000, 0.0127322800000000, 0.0034215500000000 ] - [ -0.0007696800000000, 0.0005609300000000, -0.0000503100000000 ] - [ -0.0002295900000000, 0.0000543600000000, -0.0004009500000000 ] - [ -0.0002793600000000, -0.0013728900000000, -0.0012255700000000 ] - [ 0.0002053400000000, 0.0003497900000000, 0.0000343300000000 ] - [ 0.0002512100000000, -0.0003133600000000, 0.0000313900000000 ] - [ 0.0000131600000000, -0.0003929500000000, -0.0006295900000000 ] - [ 0.0001876800000000, 0.0004993100000000, 0.0003329300000000 ] - [ 0.0015191600000000, 0.0001072700000000, -0.0014038400000000 ] - [ -0.0001474900000000, -0.0003662300000000, -0.0003103600000000 ] - [ 0.0001357700000000, -0.0005207900000000, 0.0003076000000000 ] - [ 0.0024620300000000, 0.0003221700000000, 0.0004365200000000 ] - [ 0.0001562500000000, 0.0002662700000000, 0.0003180000000000 ] - [ 0.0000637500000000, -0.0002989800000000, 0.0002390300000000 ] - [ 0.0001616500000000, -0.0004367700000000, -0.0002235800000000 ] - [ 0.0027327800000000, 0.0013816800000000, 0.0008309800000000 ] - [ 0.0000446600000000, 0.0002765700000000, 0.0002672000000000 ] - [ 0.0001451000000000, -0.0002378200000000, 0.0002220800000000 ] - [ 0.0000259300000000, -0.0003538800000000, -0.0002542900000000 ] - [ 0.0001647800000000, 0.0003328600000000, 0.0003765700000000 ] - [ 0.0023370000000000, -0.0014522200000000, 0.0008348800000000 ] - [ -0.0001031000000000, -0.0002623200000000, 0.0000757900000000 ] - [ -0.0002684600000000, 0.0000816200000000, 0.0003534000000000 ] - [ -0.0000610400000000, 0.0004835200000000, -0.0012206100000000 ] - [ -0.0000647100000000, -0.0002578200000000, 0.0004046000000000 ] - [ 0.0000460900000000, 0.0002101400000000, 0.0004564400000000 ] - [ 0.0000639100000000, 0.0005550400000000, -0.0006697300000000 ]- atom: 9 displacement: [ -0.0099999862199687, 0.0000000000000000, -0.0000166012179150 ] forces: - [ -0.0003490500000000, 0.0005456400000000, -0.0003013600000000 ] - [ 0.0002854200000000, 0.0000882100000000, 0.0012912900000000 ] - [ -0.0704621600000000, -0.0215131600000000, -0.0372602900000000 ] - [ -0.0003096800000000, -0.0004884400000000, -0.0002511900000000 ] - [ -0.0003628900000000, -0.0000841700000000, 0.0006326200000000 ] - [ 0.0030164500000000, 0.0039725700000000, -0.0037571600000000 ] - [ -0.0072161700000000, -0.0004695600000000, 0.0061751400000000 ] - [ -0.0002637800000000, 0.0001470500000000, 0.0008705500000000 ] - [ 0.3086448300000000, -0.0048502300000000, -0.0102707700000000 ] - [ -0.0001147900000000, 0.0000994200000000, 0.0003607100000000 ] - [ -0.0000685000000000, -0.0000880700000000, 0.0003779600000000 ] - [ -0.0007861100000000, -0.0004007200000000, -0.0004642200000000 ] - [ -0.0212407000000000, 0.0356902600000000, 0.0089622600000000 ] - [ 0.0003535600000000, 0.0005878100000000, 0.0001957000000000 ] - [ 0.0001575900000000, -0.0006155600000000, 0.0005054300000000 ] - [ -0.0004872000000000, -0.0007736900000000, -0.0006227400000000 ] - [ -0.0343896200000000, -0.0394292900000000, 0.0051122800000000 ] - [ 0.0003193800000000, -0.0001262200000000, -0.0007344900000000 ] - [ 0.0003286900000000, 0.0001788900000000, -0.0007732600000000 ] - [ -0.0002611100000000, 0.0004607500000000, 0.0000794300000000 ] - [ 0.0001172400000000, 0.0000996400000000, -0.0004165300000000 ] - [ -0.0002376300000000, 0.0009717500000000, 0.0012931600000000 ] - [ -0.0007059200000000, -0.0013447300000000, -0.0007389500000000 ] - [ 0.0000122700000000, -0.0001341400000000, -0.0003214200000000 ] - [ -0.0010256000000000, -0.0006715500000000, -0.0009921800000000 ] - [ -0.0001129300000000, 0.0001880600000000, 0.0002796200000000 ] - [ -0.0001832400000000, -0.0004772400000000, -0.0000489400000000 ] - [ -0.0001423900000000, 0.0009764900000000, 0.0004252300000000 ] - [ -0.0003028600000000, -0.0002689200000000, -0.0003175600000000 ] - [ 0.0008718200000000, -0.0000154200000000, 0.0003575000000000 ] - [ 0.0000879000000000, 0.0004008400000000, 0.0000965600000000 ] - [ -0.0007058200000000, 0.0004708700000000, -0.0005331300000000 ] - [ 0.0000484800000000, -0.0005583900000000, -0.0000251600000000 ] - [ 0.0000793700000000, 0.0006221100000000, 0.0000838400000000 ] - [ -0.0005777900000000, -0.0009180000000000, -0.0000626800000000 ] - [ 0.0000082900000000, 0.0004582100000000, 0.0000344400000000 ] - [ -0.0002536000000000, -0.0003146200000000, -0.0000661100000000 ] - [ 0.0003982100000000, -0.0002856300000000, 0.0002383200000000 ] - [ 0.0003041200000000, 0.0002564400000000, 0.0003365800000000 ] - [ -0.0007811900000000, 0.0010426100000000, -0.0006217800000000 ] - [ -0.0002498000000000, 0.0003705600000000, 0.0001239400000000 ] - [ -0.0002294400000000, 0.0003310300000000, -0.0001157800000000 ] - [ -0.0665774300000000, 0.0042141700000000, 0.0275227800000000 ] - [ -0.0002104500000000, -0.0003901000000000, -0.0000067900000000 ] - [ -0.0003736000000000, -0.0005614100000000, 0.0006102400000000 ] - [ -0.0001880400000000, 0.0005462600000000, -0.0003176900000000 ] - [ -0.0001762800000000, -0.0005333100000000, -0.0003170200000000 ] - [ -0.0134042400000000, 0.0099183500000000, -0.0091688400000000 ] - [ -0.0001258700000000, 0.0002770200000000, -0.0002516200000000 ] - [ 0.0003472400000000, 0.0004499100000000, 0.0007212500000000 ] - [ -0.0130793800000000, 0.0144705000000000, -0.0096942800000000 ] - [ -0.0000445300000000, -0.0002978300000000, -0.0002032300000000 ] - [ 0.0001746900000000, 0.0004319300000000, -0.0001824000000000 ] - [ 0.0001967000000000, 0.0003903900000000, -0.0001532200000000 ] - [ -0.0483365600000000, 0.0087336800000000, 0.0257090400000000 ] - [ 0.0000776100000000, -0.0003514600000000, -0.0002335200000000 ] - [ 0.0001630700000000, 0.0001788500000000, 0.0000456100000000 ] - [ -0.0002403300000000, 0.0005815100000000, 0.0004035700000000 ] - [ -0.0002090500000000, -0.0002047900000000, -0.0003080900000000 ] - [ 0.0004283900000000, -0.0006614000000000, -0.0013556200000000 ] - [ 0.0000182200000000, -0.0000885400000000, -0.0004701900000000 ] - [ -0.0228904700000000, -0.0127802100000000, -0.0023430400000000 ] - [ 0.0007044500000000, -0.0002058900000000, 0.0010035100000000 ] - [ 0.0002980400000000, 0.0003008300000000, -0.0005260300000000 ] - [ -0.0002498100000000, 0.0021025700000000, 0.0012135900000000 ] - [ 0.0003082300000000, 0.0003912100000000, -0.0000338900000000 ] - [ 0.0002730000000000, -0.0004361800000000, -0.0000264100000000 ] - [ -0.0005319000000000, -0.0003312400000000, 0.0006312800000000 ] - [ 0.0001909000000000, 0.0005107400000000, 0.0002989600000000 ] - [ -0.0018818200000000, 0.0009915100000000, 0.0008000400000000 ] - [ -0.0002278200000000, -0.0006410800000000, -0.0003336900000000 ] - [ 0.0002416800000000, -0.0004872100000000, 0.0003356000000000 ] - [ -0.0025993700000000, 0.0002690600000000, -0.0008949900000000 ] - [ 0.0000274800000000, 0.0002915000000000, 0.0001714500000000 ] - [ 0.0001082800000000, -0.0002546500000000, 0.0002465400000000 ] - [ -0.0003607600000000, -0.0001359600000000, -0.0002938700000000 ] - [ -0.0028600600000000, -0.0008447000000000, -0.0012860600000000 ] - [ 0.0000342200000000, 0.0003508200000000, 0.0001502700000000 ] - [ -0.0000682300000000, -0.0003861700000000, 0.0002058000000000 ] - [ -0.0001072900000000, -0.0002709200000000, -0.0001682700000000 ] - [ 0.0002026500000000, -0.0000086000000000, 0.0001195700000000 ] - [ -0.0027066000000000, 0.0018019200000000, -0.0013417400000000 ] - [ -0.0002578100000000, -0.0000632300000000, -0.0005704500000000 ] - [ 0.0006390000000000, -0.0004143900000000, 0.0001390400000000 ] - [ 0.0001615700000000, -0.0008436300000000, 0.0002771200000000 ] - [ -0.0000023800000000, -0.0001011400000000, 0.0005243600000000 ] - [ -0.0000998500000000, 0.0001430300000000, 0.0004644300000000 ] - [ 0.0000008200000000, -0.0001832100000000, -0.0002499600000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003362500000000, 0.0003891300000000, -0.0002214300000000 ] - [ 0.0010856200000000, -0.0005982900000000, 0.0002053400000000 ] - [ 0.0044681500000000, 0.0145120400000000, 0.0027576400000000 ] - [ -0.0003291300000000, -0.0004548700000000, -0.0003093800000000 ] - [ -0.0003310700000000, 0.0000794100000000, 0.0006436100000000 ] - [ -0.0028861500000000, 0.0041331500000000, 0.0006483400000000 ] - [ 0.0036425900000000, 0.0154525100000000, 0.0138013200000000 ] - [ -0.0001869500000000, 0.0002120300000000, 0.0009101700000000 ] - [ 0.0057178400000000, -0.2829949500000000, 0.0090455500000000 ] - [ -0.0000407400000000, -0.0000256700000000, 0.0004519300000000 ] - [ -0.0000579100000000, -0.0003161800000000, 0.0001754800000000 ] - [ -0.0002615600000000, -0.0016886600000000, -0.0006690100000000 ] - [ -0.0171840400000000, 0.0820970800000000, 0.0217319100000000 ] - [ 0.0003039100000000, 0.0002631700000000, 0.0001519100000000 ] - [ 0.0002659400000000, -0.0005593400000000, 0.0001033800000000 ] - [ -0.0003714100000000, 0.0001996200000000, -0.0007491100000000 ] - [ 0.0357230200000000, 0.0633510400000000, -0.0025502100000000 ] - [ 0.0003575700000000, -0.0000662900000000, -0.0007394800000000 ] - [ 0.0002540300000000, 0.0001126300000000, -0.0008114400000000 ] - [ -0.0005781700000000, 0.0003465600000000, 0.0009690300000000 ] - [ 0.0000269600000000, 0.0000579800000000, -0.0003391300000000 ] - [ 0.0008131400000000, 0.0015749400000000, 0.0003563500000000 ] - [ 0.0011623700000000, 0.0031633900000000, 0.0025767300000000 ] - [ 0.0000072300000000, -0.0001068300000000, -0.0003447100000000 ] - [ -0.0013010800000000, -0.0018137800000000, -0.0005220600000000 ] - [ 0.0000021700000000, 0.0001551500000000, 0.0003131300000000 ] - [ 0.0001927300000000, 0.0001364600000000, -0.0000203900000000 ] - [ 0.0000240500000000, 0.0009150800000000, 0.0001981200000000 ] - [ -0.0002084700000000, -0.0001903600000000, -0.0002923100000000 ] - [ 0.0010603600000000, 0.0006148300000000, -0.0002771300000000 ] - [ 0.0002066400000000, -0.0000351400000000, -0.0004830900000000 ] - [ -0.0003587800000000, 0.0004258600000000, -0.0004456100000000 ] - [ -0.0001853400000000, -0.0006294200000000, 0.0000505300000000 ] - [ -0.0000562900000000, 0.0005740600000000, 0.0000189500000000 ] - [ 0.0000761200000000, -0.0001077600000000, -0.0001449100000000 ] - [ -0.0000717400000000, 0.0005021900000000, 0.0000381000000000 ] - [ -0.0003185000000000, -0.0002391900000000, -0.0002891800000000 ] - [ 0.0002994500000000, -0.0001912200000000, 0.0002984500000000 ] - [ 0.0002603900000000, 0.0002623500000000, 0.0003342700000000 ] - [ -0.0008858300000000, 0.0001168600000000, -0.0005592300000000 ] - [ -0.0003274000000000, 0.0003895300000000, 0.0001011800000000 ] - [ 0.0001762700000000, 0.0005744000000000, -0.0002501700000000 ] - [ -0.0072219300000000, 0.0044638500000000, 0.0007083500000000 ] - [ -0.0002187000000000, -0.0003735200000000, -0.0000253300000000 ] - [ -0.0000759600000000, -0.0002750700000000, 0.0002997400000000 ] - [ -0.0001863700000000, 0.0005252400000000, -0.0003205200000000 ] - [ -0.0001720100000000, -0.0005201000000000, -0.0003234100000000 ] - [ -0.0145989000000000, 0.0273463500000000, -0.0316140300000000 ] - [ -0.0000096600000000, 0.0002599300000000, -0.0002066000000000 ] - [ 0.0001967500000000, 0.0004718100000000, 0.0004171500000000 ] - [ -0.0102031900000000, 0.0290037900000000, -0.0222950900000000 ] - [ -0.0000759600000000, -0.0003001100000000, -0.0002289500000000 ] - [ -0.0002044800000000, 0.0003568200000000, -0.0000681800000000 ] - [ 0.0002551200000000, -0.0000757100000000, -0.0007621300000000 ] - [ -0.0047044800000000, 0.0036227100000000, -0.0006324400000000 ] - [ -0.0000427800000000, -0.0002741700000000, -0.0002441300000000 ] - [ 0.0001020900000000, -0.0000890900000000, 0.0002953400000000 ] - [ -0.0003776200000000, 0.0000104200000000, -0.0003764200000000 ] - [ -0.0000303800000000, -0.0002453500000000, -0.0001795200000000 ] - [ -0.0015792100000000, 0.0006316500000000, 0.0000734300000000 ] - [ -0.0002699300000000, -0.0000766000000000, -0.0004754200000000 ] - [ 0.0104420400000000, 0.0307710800000000, 0.0123866100000000 ] - [ 0.0001529800000000, 0.0004472600000000, -0.0002198000000000 ] - [ 0.0003272000000000, 0.0001563400000000, -0.0006887700000000 ] - [ -0.0017652400000000, 0.0019129700000000, 0.0006366500000000 ] - [ 0.0002915100000000, 0.0003649300000000, -0.0000019700000000 ] - [ 0.0001947200000000, -0.0003330900000000, 0.0000945800000000 ] - [ -0.0007087400000000, 0.0002946400000000, 0.0001110400000000 ] - [ 0.0001989300000000, 0.0005304400000000, 0.0003117100000000 ] - [ -0.0000579800000000, 0.0040494800000000, -0.0004810100000000 ] - [ -0.0002052400000000, -0.0009918300000000, -0.0003981800000000 ] - [ 0.0001888100000000, -0.0005062200000000, 0.0003244200000000 ] - [ -0.0004448500000000, -0.0008065600000000, -0.0000365400000000 ] - [ 0.0000527900000000, 0.0002840500000000, 0.0002075800000000 ] - [ 0.0000708500000000, -0.0002549800000000, 0.0002325700000000 ] - [ 0.0004156100000000, -0.0010243100000000, -0.0002113300000000 ] - [ 0.0005403700000000, 0.0016243100000000, -0.0015431800000000 ] - [ 0.0000612400000000, 0.0003320200000000, 0.0001821800000000 ] - [ 0.0000904400000000, -0.0003370000000000, 0.0002666900000000 ] - [ -0.0000289100000000, -0.0002765700000000, -0.0002356000000000 ] - [ 0.0002330600000000, 0.0003082700000000, 0.0003386800000000 ] - [ -0.0005633800000000, -0.0007990700000000, 0.0003225500000000 ] - [ -0.0002412700000000, -0.0002955200000000, -0.0002113500000000 ] - [ -0.0001648500000000, 0.0002402300000000, 0.0000663000000000 ] - [ 0.0005179700000000, -0.0009213800000000, -0.0015760200000000 ] - [ 0.0000342600000000, -0.0001649900000000, 0.0005009100000000 ] - [ -0.0000150400000000, 0.0001689900000000, 0.0004411700000000 ] - [ -0.0000494000000000, 0.0001701300000000, -0.0007252100000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003215500000000, 0.0005889100000000, -0.0002079500000000 ] - [ -0.0004621200000000, 0.0015839300000000, 0.0002769400000000 ] - [ -0.0039191400000000, -0.0154664800000000, -0.0024108000000000 ] - [ -0.0003020800000000, -0.0005506200000000, -0.0001608500000000 ] - [ -0.0002448100000000, -0.0002735900000000, 0.0008779800000000 ] - [ 0.0035396500000000, -0.0042125300000000, -0.0021686300000000 ] - [ -0.0030125800000000, -0.0152952100000000, -0.0156440900000000 ] - [ -0.0004215600000000, 0.0000014000000000, 0.0006565500000000 ] - [ -0.0060329300000000, 0.2884811400000000, -0.0102659100000000 ] - [ 0.0000081500000000, 0.0002554500000000, 0.0002360900000000 ] - [ 0.0000231000000000, 0.0000624300000000, 0.0005420300000000 ] - [ 0.0002949100000000, 0.0014519300000000, -0.0000003500000000 ] - [ 0.0173113300000000, -0.0841279800000000, -0.0229288500000000 ] - [ 0.0003494400000000, 0.0006720600000000, 0.0003008900000000 ] - [ 0.0003835900000000, -0.0003971100000000, 0.0003931700000000 ] - [ -0.0002832200000000, -0.0011488600000000, 0.0003074500000000 ] - [ -0.0374528600000000, -0.0657247300000000, 0.0045687400000000 ] - [ 0.0002824200000000, -0.0001636800000000, -0.0007882300000000 ] - [ 0.0003779100000000, 0.0001083200000000, -0.0007158200000000 ] - [ -0.0000230100000000, -0.0001545700000000, 0.0005141100000000 ] - [ 0.0000193300000000, 0.0001502000000000, -0.0003384400000000 ] - [ -0.0008739900000000, -0.0013291700000000, 0.0003644500000000 ] - [ -0.0012709300000000, -0.0034314800000000, -0.0019744700000000 ] - [ 0.0000575200000000, -0.0001105400000000, -0.0003746600000000 ] - [ 0.0012994200000000, 0.0006378800000000, 0.0005140800000000 ] - [ -0.0000022000000000, 0.0010128400000000, -0.0003152000000000 ] - [ -0.0001756400000000, -0.0010883400000000, 0.0000283900000000 ] - [ -0.0000255200000000, 0.0000626800000000, -0.0001913300000000 ] - [ -0.0004039100000000, -0.0003106100000000, -0.0003720900000000 ] - [ -0.0004413600000000, -0.0011141900000000, 0.0009135400000000 ] - [ 0.0003965000000000, 0.0005301200000000, 0.0011375100000000 ] - [ -0.0002554600000000, 0.0000796500000000, -0.0002248100000000 ] - [ 0.0001830000000000, -0.0005397300000000, -0.0000526800000000 ] - [ 0.0000505900000000, 0.0005996100000000, -0.0000205100000000 ] - [ -0.0000722400000000, -0.0008597400000000, 0.0001410200000000 ] - [ 0.0000708800000000, 0.0004686200000000, -0.0000386200000000 ] - [ -0.0002948200000000, -0.0002600400000000, -0.0003731200000000 ] - [ 0.0003158000000000, -0.0003099800000000, 0.0003619800000000 ] - [ 0.0003525900000000, 0.0002423000000000, 0.0003239800000000 ] - [ 0.0002769200000000, 0.0003747100000000, -0.0001060200000000 ] - [ -0.0002065200000000, 0.0003565300000000, -0.0000831700000000 ] - [ 0.0003756400000000, 0.0001962300000000, 0.0002400200000000 ] - [ 0.0077695900000000, -0.0051727700000000, -0.0007316600000000 ] - [ -0.0003099700000000, -0.0004189300000000, 0.0000309500000000 ] - [ 0.0004376300000000, 0.0012477800000000, 0.0003561800000000 ] - [ -0.0001836100000000, 0.0005315000000000, -0.0003247600000000 ] - [ -0.0001925700000000, -0.0005115900000000, -0.0003133600000000 ] - [ 0.0146098100000000, -0.0279845100000000, 0.0314401200000000 ] - [ -0.0001430200000000, 0.0002927900000000, -0.0002350800000000 ] - [ -0.0000580900000000, 0.0000753300000000, 0.0000241300000000 ] - [ 0.0109575600000000, -0.0309410200000000, 0.0242742500000000 ] - [ -0.0000450400000000, -0.0002744500000000, -0.0002198200000000 ] - [ 0.0001809700000000, 0.0003067400000000, -0.0003412500000000 ] - [ -0.0002238000000000, 0.0007316700000000, 0.0011897400000000 ] - [ 0.0048463000000000, -0.0041798600000000, 0.0009390800000000 ] - [ 0.0000049700000000, -0.0003956400000000, -0.0001670700000000 ] - [ 0.0002355500000000, 0.0004137800000000, 0.0001824600000000 ] - [ 0.0000290600000000, 0.0003280300000000, -0.0000985200000000 ] - [ -0.0003261500000000, -0.0000879800000000, -0.0003046800000000 ] - [ 0.0020071400000000, -0.0009757200000000, 0.0004245500000000 ] - [ 0.0003306800000000, -0.0002479000000000, -0.0004762400000000 ] - [ -0.0101782900000000, -0.0303696500000000, -0.0108329400000000 ] - [ -0.0002578200000000, -0.0000797800000000, 0.0011769900000000 ] - [ -0.0002449700000000, 0.0001940700000000, -0.0002471700000000 ] - [ 0.0012378900000000, -0.0011273100000000, -0.0006674400000000 ] - [ 0.0002504900000000, 0.0003947600000000, -0.0000142000000000 ] - [ 0.0003691800000000, -0.0004426500000000, -0.0001165000000000 ] - [ 0.0001584700000000, -0.0010430200000000, -0.0000893600000000 ] - [ 0.0001923500000000, 0.0005262900000000, 0.0003202600000000 ] - [ -0.0003593300000000, -0.0031378900000000, -0.0001779600000000 ] - [ -0.0001623600000000, -0.0000565500000000, -0.0002551900000000 ] - [ 0.0001828600000000, -0.0005259300000000, 0.0003384100000000 ] - [ 0.0003126900000000, 0.0013761900000000, -0.0004192200000000 ] - [ 0.0000981000000000, 0.0002648800000000, 0.0002321900000000 ] - [ 0.0000571800000000, -0.0002865800000000, 0.0001870200000000 ] - [ -0.0005661900000000, 0.0004846000000000, -0.0002349900000000 ] - [ -0.0005910900000000, -0.0009248600000000, 0.0011229600000000 ] - [ -0.0000688400000000, 0.0003348100000000, 0.0002189300000000 ] - [ -0.0000765500000000, -0.0003245200000000, 0.0001659100000000 ] - [ 0.0000178900000000, -0.0003867500000000, -0.0001772600000000 ] - [ 0.0001195600000000, 0.0000288800000000, 0.0001517200000000 ] - [ 0.0002085600000000, 0.0011434600000000, -0.0008051500000000 ] - [ -0.0001061000000000, -0.0000423100000000, -0.0002775200000000 ] - [ 0.0005016600000000, -0.0005595000000000, 0.0004151700000000 ] - [ -0.0004608700000000, 0.0005903700000000, 0.0006732600000000 ] - [ -0.0001217500000000, -0.0001927600000000, 0.0004445900000000 ] - [ -0.0000389800000000, 0.0001842700000000, 0.0004694000000000 ] - [ 0.0001289600000000, 0.0001924600000000, -0.0001932600000000 ]- atom: 9 displacement: [ -0.0002562758177658, 0.0000000000000000, 0.0099967155958959 ] forces: - [ -0.0004273100000000, 0.0004280000000000, -0.0000746400000000 ] - [ -0.0001662800000000, 0.0008758000000000, -0.0004034200000000 ] - [ 0.0318490900000000, 0.0123437500000000, 0.0277498200000000 ] - [ -0.0003154400000000, -0.0004957700000000, -0.0001688900000000 ] - [ -0.0002888000000000, 0.0000002500000000, 0.0005934900000000 ] - [ 0.0029671700000000, 0.0007807200000000, 0.0029570900000000 ] - [ 0.0025811900000000, 0.0293525000000000, 0.0826087500000000 ] - [ -0.0002364200000000, 0.0002312200000000, 0.0008968200000000 ] - [ 0.0190788900000000, 0.0101606700000000, -0.2839683200000000 ] - [ -0.0000337600000000, -0.0000000100000000, 0.0004058800000000 ] - [ -0.0000282100000000, -0.0002967500000000, 0.0002109600000000 ] - [ 0.0001018100000000, 0.0002151300000000, 0.0005332800000000 ] - [ -0.0027442600000000, 0.0181644800000000, 0.0130305900000000 ] - [ 0.0003627800000000, 0.0004691300000000, 0.0002257000000000 ] - [ 0.0002540600000000, -0.0004370100000000, 0.0005472300000000 ] - [ 0.0000222000000000, -0.0007169500000000, 0.0001803100000000 ] - [ -0.0148805800000000, -0.0215102700000000, 0.0145218400000000 ] - [ 0.0003093700000000, -0.0001063700000000, -0.0007845600000000 ] - [ 0.0003647500000000, 0.0001766900000000, -0.0006721600000000 ] - [ -0.0002548900000000, -0.0003232400000000, 0.0012055300000000 ] - [ 0.0000988900000000, 0.0000920800000000, -0.0004107900000000 ] - [ -0.0009656400000000, 0.0001339400000000, -0.0001927000000000 ] - [ 0.0010356700000000, 0.0021151600000000, 0.0010897000000000 ] - [ -0.0000086600000000, -0.0001103400000000, -0.0003509000000000 ] - [ 0.0013070100000000, -0.0007819600000000, -0.0004238000000000 ] - [ 0.0000025800000000, 0.0004594600000000, 0.0002557000000000 ] - [ 0.0006603400000000, -0.0001987500000000, 0.0003015400000000 ] - [ 0.0001161100000000, 0.0006514800000000, 0.0006153600000000 ] - [ -0.0002392400000000, -0.0002670900000000, -0.0002660100000000 ] - [ -0.0006054600000000, -0.0012628200000000, -0.0003883300000000 ] - [ 0.0004313500000000, 0.0000658300000000, 0.0008646900000000 ] - [ -0.0010395500000000, 0.0005051900000000, -0.0005897200000000 ] - [ 0.0000654600000000, -0.0005626000000000, -0.0000929900000000 ] - [ 0.0000056700000000, 0.0005570900000000, 0.0000356300000000 ] - [ 0.0001329200000000, -0.0005886900000000, 0.0002271800000000 ] - [ 0.0001970400000000, 0.0004425300000000, 0.0001417600000000 ] - [ -0.0004587900000000, -0.0002440100000000, -0.0005389400000000 ] - [ 0.0002966500000000, -0.0002417600000000, 0.0003097700000000 ] - [ 0.0003319000000000, 0.0002387700000000, 0.0003351200000000 ] - [ 0.0005282200000000, -0.0003257300000000, -0.0011143200000000 ] - [ -0.0003021100000000, 0.0003481100000000, 0.0000932300000000 ] - [ 0.0008057600000000, 0.0004496800000000, 0.0009602300000000 ] - [ -0.0330432700000000, -0.0014582900000000, 0.0216374700000000 ] - [ -0.0002579900000000, -0.0003957600000000, 0.0000090500000000 ] - [ 0.0006652500000000, 0.0009319500000000, 0.0000231300000000 ] - [ -0.0001311200000000, 0.0005740300000000, -0.0003459300000000 ] - [ -0.0001764600000000, -0.0005181800000000, -0.0003187900000000 ] - [ 0.0089520100000000, -0.0220734000000000, 0.0344616600000000 ] - [ -0.0001260100000000, 0.0002596100000000, -0.0002492200000000 ] - [ -0.0002631000000000, 0.0000664200000000, -0.0001675000000000 ] - [ 0.0088640000000000, -0.0315146700000000, 0.0361321000000000 ] - [ -0.0001130400000000, -0.0002766400000000, -0.0002355100000000 ] - [ -0.0001172200000000, 0.0004445600000000, -0.0001294000000000 ] - [ -0.0000018600000000, 0.0004113400000000, 0.0007468100000000 ] - [ -0.0222712100000000, 0.0001000100000000, 0.0190972900000000 ] - [ -0.0001329400000000, -0.0003337100000000, -0.0002681700000000 ] - [ 0.0000206800000000, 0.0001835900000000, 0.0002687800000000 ] - [ -0.0002247300000000, 0.0001589600000000, -0.0000668300000000 ] - [ -0.0002347000000000, -0.0002202200000000, -0.0003338800000000 ] - [ 0.0007429100000000, -0.0014712200000000, -0.0002896000000000 ] - [ -0.0002064300000000, -0.0001090400000000, -0.0005189900000000 ] - [ -0.0003111600000000, 0.0083161200000000, 0.0235240600000000 ] - [ -0.0013371700000000, -0.0010677800000000, 0.0016794800000000 ] - [ 0.0003123600000000, 0.0002166900000000, -0.0006982700000000 ] - [ -0.0006136200000000, 0.0003468200000000, 0.0022775300000000 ] - [ 0.0002700500000000, 0.0003734500000000, 0.0000217900000000 ] - [ 0.0001695000000000, -0.0003793800000000, -0.0000876300000000 ] - [ -0.0000130300000000, -0.0009178600000000, -0.0004350100000000 ] - [ 0.0001702300000000, 0.0005296600000000, 0.0003025700000000 ] - [ -0.0016341900000000, -0.0000130100000000, -0.0006780000000000 ] - [ -0.0001026900000000, -0.0000888900000000, 0.0000088200000000 ] - [ 0.0002369600000000, -0.0005605000000000, 0.0003106400000000 ] - [ 0.0005063200000000, 0.0004836500000000, 0.0029209700000000 ] - [ 0.0000327800000000, 0.0002890500000000, 0.0001639900000000 ] - [ 0.0000391600000000, -0.0002779500000000, 0.0001978000000000 ] - [ -0.0007150100000000, -0.0001950900000000, -0.0009328600000000 ] - [ 0.0002576700000000, -0.0016623600000000, 0.0007751300000000 ] - [ -0.0000090000000000, 0.0003418800000000, 0.0001998400000000 ] - [ -0.0001298400000000, -0.0003560800000000, 0.0002121200000000 ] - [ 0.0002932600000000, -0.0004935900000000, -0.0002845100000000 ] - [ 0.0000717800000000, 0.0001415500000000, 0.0003100900000000 ] - [ -0.0001133800000000, 0.0002701300000000, -0.0010442300000000 ] - [ -0.0000052400000000, -0.0001602400000000, 0.0000016800000000 ] - [ 0.0007042500000000, -0.0005067100000000, 0.0002656600000000 ] - [ -0.0005047400000000, -0.0005109300000000, 0.0008320700000000 ] - [ -0.0000819700000000, -0.0001876800000000, 0.0004965700000000 ] - [ -0.0000560100000000, 0.0002052700000000, 0.0004513200000000 ] - [ -0.0002935300000000, 0.0003168900000000, -0.0007008100000000 ]- atom: 9 displacement: [ 0.0002562758177658, 0.0000000000000000, -0.0099967155958959 ] forces: - [ -0.0001427800000000, 0.0004846900000000, -0.0003511700000000 ] - [ 0.0007018300000000, 0.0000220800000000, 0.0008530800000000 ] - [ -0.0319849400000000, -0.0133587400000000, -0.0279545700000000 ] - [ -0.0002501600000000, -0.0004210600000000, -0.0002684100000000 ] - [ -0.0003414500000000, -0.0002564000000000, 0.0010060900000000 ] - [ -0.0022418600000000, -0.0009475800000000, -0.0045308700000000 ] - [ -0.0019936200000000, -0.0300828700000000, -0.0875678900000000 ] - [ -0.0004118600000000, 0.0000353000000000, 0.0007233300000000 ] - [ -0.0184324900000000, -0.0087529700000000, 0.2876102000000000 ] - [ -0.0000372000000000, 0.0002887500000000, 0.0002679700000000 ] - [ -0.0000334700000000, -0.0000019200000000, 0.0004612500000000 ] - [ -0.0000575900000000, -0.0005231600000000, -0.0011977000000000 ] - [ 0.0023690900000000, -0.0175379400000000, -0.0135662200000000 ] - [ 0.0002039200000000, 0.0004308400000000, 0.0002120400000000 ] - [ 0.0003128600000000, -0.0004660500000000, -0.0001030200000000 ] - [ -0.0005856900000000, -0.0001798500000000, -0.0006160600000000 ] - [ 0.0141409800000000, 0.0210020400000000, -0.0128432600000000 ] - [ 0.0003486200000000, -0.0001616500000000, -0.0008233500000000 ] - [ 0.0002865200000000, 0.0000839100000000, -0.0009283200000000 ] - [ -0.0003947800000000, 0.0005690200000000, 0.0003874200000000 ] - [ -0.0000195000000000, 0.0001914200000000, -0.0002514200000000 ] - [ 0.0008914400000000, 0.0001655000000000, 0.0008523700000000 ] - [ -0.0011316400000000, -0.0024559900000000, -0.0004064600000000 ] - [ 0.0000856400000000, -0.0001752200000000, -0.0003191600000000 ] - [ -0.0012962800000000, -0.0004070200000000, 0.0004274500000000 ] - [ 0.0000007100000000, 0.0007212200000000, -0.0002523000000000 ] - [ -0.0006496400000000, -0.0007579500000000, -0.0002926600000000 ] - [ -0.0001143100000000, 0.0003216200000000, -0.0006056100000000 ] - [ -0.0003789500000000, -0.0002479500000000, -0.0003762600000000 ] - [ 0.0012276300000000, 0.0007523400000000, 0.0010214800000000 ] - [ 0.0001863600000000, 0.0004425100000000, -0.0002307300000000 ] - [ 0.0004219400000000, 0.0000116500000000, -0.0000575200000000 ] - [ -0.0000679100000000, -0.0006206200000000, 0.0000918100000000 ] - [ -0.0000101900000000, 0.0006274800000000, -0.0000360500000000 ] - [ -0.0001318900000000, -0.0003773900000000, -0.0002291000000000 ] - [ -0.0001981300000000, 0.0005270800000000, -0.0001423300000000 ] - [ -0.0001614100000000, -0.0002680100000000, -0.0001020000000000 ] - [ 0.0003240300000000, -0.0002756900000000, 0.0003317500000000 ] - [ 0.0002871500000000, 0.0002786400000000, 0.0003040100000000 ] - [ -0.0011489800000000, 0.0008419500000000, 0.0004749800000000 ] - [ -0.0002094900000000, 0.0003904100000000, -0.0000847500000000 ] - [ -0.0002825900000000, 0.0002969300000000, -0.0009584000000000 ] - [ 0.0329375300000000, 0.0007419200000000, -0.0214154900000000 ] - [ -0.0002491500000000, -0.0003573600000000, -0.0000112500000000 ] - [ -0.0002970500000000, 0.0000642200000000, 0.0006438100000000 ] - [ -0.0002372300000000, 0.0004499600000000, -0.0002905400000000 ] - [ -0.0001914100000000, -0.0004948800000000, -0.0003137800000000 ] - [ -0.0093143600000000, 0.0223626400000000, -0.0354105300000000 ] - [ -0.0000542200000000, 0.0003005800000000, -0.0002362500000000 ] - [ 0.0004444500000000, 0.0004850500000000, 0.0006620100000000 ] - [ -0.0083186600000000, 0.0298536400000000, -0.0347412500000000 ] - [ -0.0000587400000000, -0.0002927600000000, -0.0002563200000000 ] - [ 0.0000333700000000, 0.0001804100000000, -0.0002848100000000 ] - [ 0.0000857400000000, 0.0002081400000000, -0.0003154100000000 ] - [ 0.0233102600000000, -0.0008533600000000, -0.0190740700000000 ] - [ 0.0000485700000000, -0.0002976900000000, -0.0001480300000000 ] - [ 0.0003413300000000, 0.0001374200000000, 0.0002200800000000 ] - [ -0.0001405200000000, 0.0001533100000000, -0.0004509400000000 ] - [ -0.0001353600000000, -0.0001056200000000, -0.0001543100000000 ] - [ -0.0004311500000000, 0.0011881000000000, 0.0008207100000000 ] - [ 0.0002651500000000, -0.0002310700000000, -0.0004213400000000 ] - [ 0.0003799500000000, -0.0083175100000000, -0.0222015500000000 ] - [ 0.0012663700000000, 0.0014244200000000, -0.0007222500000000 ] - [ -0.0002436500000000, 0.0001395200000000, -0.0002308000000000 ] - [ 0.0000965200000000, 0.0003821900000000, -0.0022846900000000 ] - [ 0.0002427000000000, 0.0003689800000000, -0.0000234000000000 ] - [ 0.0003537400000000, -0.0003687400000000, 0.0000883400000000 ] - [ -0.0005164700000000, 0.0002064700000000, 0.0004403400000000 ] - [ 0.0002078800000000, 0.0004856300000000, 0.0003293700000000 ] - [ 0.0012563900000000, 0.0010405700000000, 0.0000425600000000 ] - [ -0.0002662800000000, -0.0009146300000000, -0.0006423900000000 ] - [ 0.0001348400000000, -0.0004489600000000, 0.0003351600000000 ] - [ -0.0007264800000000, 0.0000416800000000, -0.0034586300000000 ] - [ 0.0001490700000000, 0.0002709900000000, 0.0003223400000000 ] - [ 0.0001337600000000, -0.0002782300000000, 0.0002811500000000 ] - [ 0.0005222700000000, -0.0003511900000000, 0.0004353500000000 ] - [ -0.0003282800000000, 0.0023115300000000, -0.0011798300000000 ] - [ 0.0000813400000000, 0.0002878300000000, 0.0002152600000000 ] - [ 0.0002056500000000, -0.0002730200000000, 0.0002182400000000 ] - [ -0.0003721700000000, -0.0001348000000000, -0.0001377900000000 ] - [ 0.0002957800000000, 0.0001843800000000, 0.0001850600000000 ] - [ -0.0002505400000000, 0.0000343900000000, 0.0006021400000000 ] - [ -0.0003515300000000, -0.0001649700000000, -0.0004938900000000 ] - [ -0.0003428400000000, 0.0001905400000000, 0.0002148200000000 ] - [ 0.0005844000000000, 0.0001669800000000, -0.0017696900000000 ] - [ 0.0000118200000000, -0.0001718600000000, 0.0004353800000000 ] - [ 0.0000021000000000, 0.0001499400000000, 0.0004686500000000 ] - [ 0.0003552100000000, 0.0000358400000000, -0.0002211600000000 ]- atom: 25 displacement: [ 0.0099999862199687, 0.0000000000000000, 0.0000166012179150 ] forces: - [ -0.0001832500000000, 0.0007565400000000, -0.0000592400000000 ] - [ 0.0004771800000000, 0.0002375800000000, 0.0004055500000000 ] - [ 0.0004555000000000, -0.0002557600000000, 0.0003466300000000 ] - [ -0.0001974400000000, -0.0007354300000000, -0.0001152100000000 ] - [ 0.0002149900000000, 0.0005075100000000, 0.0004491700000000 ] - [ 0.0007769700000000, -0.0006922700000000, -0.0010600900000000 ] - [ 0.0004982000000000, 0.0001616700000000, -0.0008328000000000 ] - [ -0.0001065100000000, 0.0000440900000000, 0.0007013600000000 ] - [ 0.0010333100000000, -0.0011907300000000, 0.0009589900000000 ] - [ 0.0010239100000000, 0.0014187100000000, 0.0016885300000000 ] - [ 0.0000998400000000, -0.0001159100000000, 0.0003686700000000 ] - [ 0.0001151500000000, -0.0001024900000000, -0.0003404800000000 ] - [ -0.0008962200000000, 0.0011085100000000, 0.0002375200000000 ] - [ -0.0002279300000000, -0.0001406700000000, 0.0007080300000000 ] - [ 0.0003814500000000, -0.0002841800000000, 0.0002287900000000 ] - [ -0.0002813400000000, -0.0006808800000000, -0.0002393100000000 ] - [ 0.0004895700000000, -0.0002129800000000, 0.0006306500000000 ] - [ 0.0010959700000000, -0.0000066400000000, -0.0009020800000000 ] - [ 0.0002993100000000, -0.0000559400000000, -0.0007000200000000 ] - [ -0.0003131300000000, 0.0002484900000000, 0.0007832700000000 ] - [ -0.0000311300000000, -0.0000928500000000, -0.0002797100000000 ] - [ -0.0000775900000000, 0.0002894800000000, 0.0004316300000000 ] - [ -0.0001014900000000, -0.0001566800000000, 0.0003562100000000 ] - [ -0.0000543500000000, -0.0000432500000000, -0.0003583800000000 ] - [ -0.0224451200000000, -0.0006213700000000, -0.0027827200000000 ] - [ -0.0004623500000000, 0.0005873300000000, -0.0000668300000000 ] - [ -0.0010063900000000, -0.0004900400000000, -0.0000313800000000 ] - [ -0.0004953400000000, 0.0004867600000000, 0.0001452800000000 ] - [ -0.0006032600000000, -0.0000909400000000, -0.0001885000000000 ] - [ 0.0000049600000000, -0.0004032500000000, 0.0004795200000000 ] - [ 0.0005683500000000, 0.0011880000000000, -0.0012728100000000 ] - [ -0.0000419700000000, -0.0007014500000000, -0.0019468900000000 ] - [ 0.0004028800000000, -0.0005867700000000, 0.0000514100000000 ] - [ 0.0004305600000000, 0.0005881800000000, 0.0001644800000000 ] - [ 0.0004267200000000, -0.0004875000000000, -0.0001146100000000 ] - [ 0.0003471900000000, 0.0004859900000000, -0.0000292900000000 ] - [ 0.0000035500000000, -0.0002612800000000, -0.0003308800000000 ] - [ 0.0006122600000000, -0.0002301700000000, 0.0003365100000000 ] - [ 0.0006022500000000, 0.0002456100000000, 0.0003456900000000 ] - [ -0.0000072100000000, 0.0002489500000000, -0.0003226400000000 ] - [ -0.0002855700000000, 0.0004140000000000, 0.0000658400000000 ] - [ 0.0002577400000000, 0.0003515800000000, 0.0000356900000000 ] - [ 0.0003215600000000, -0.0004237100000000, 0.0000678100000000 ] - [ -0.0002124000000000, -0.0003581300000000, 0.0000826800000000 ] - [ 0.0000724000000000, 0.0008253800000000, 0.0002819300000000 ] - [ -0.0002912700000000, 0.0002149500000000, -0.0003702500000000 ] - [ -0.0002803300000000, -0.0006297300000000, -0.0005589000000000 ] - [ 0.0000903400000000, -0.0004224300000000, 0.0000824500000000 ] - [ -0.0000447500000000, 0.0002897100000000, -0.0001548400000000 ] - [ 0.0001003600000000, 0.0002615000000000, 0.0002713500000000 ] - [ 0.0044270400000000, 0.0036784500000000, -0.0005889100000000 ] - [ 0.0044740500000000, -0.0043516600000000, -0.0010034700000000 ] - [ -0.0004332000000000, -0.0000081000000000, -0.0004695600000000 ] - [ -0.0004135600000000, 0.0006876100000000, -0.0000406600000000 ] - [ -0.0001673900000000, -0.0003534100000000, 0.0011858700000000 ] - [ -0.0001746000000000, -0.0003137100000000, 0.0007905600000000 ] - [ 0.0003712900000000, 0.0001997000000000, 0.0003104100000000 ] - [ 0.0000213500000000, 0.0001331800000000, -0.0001686800000000 ] - [ 0.0000555600000000, -0.0004761800000000, 0.0001238400000000 ] - [ 0.0004200100000000, 0.0001303600000000, 0.0006027500000000 ] - [ 0.0059845600000000, 0.0046376700000000, 0.0013756400000000 ] - [ 0.0057589200000000, -0.0048372300000000, 0.0022391400000000 ] - [ 0.0001510200000000, 0.0002589500000000, 0.0003837200000000 ] - [ 0.0002279400000000, 0.0000862600000000, -0.0005546000000000 ] - [ -0.0002320400000000, 0.0003765900000000, -0.0001889800000000 ] - [ 0.0003175100000000, 0.0004008700000000, -0.0002043900000000 ] - [ 0.0002766100000000, -0.0003972900000000, -0.0000695700000000 ] - [ -0.0002759000000000, -0.0003642500000000, -0.0000389900000000 ] - [ 0.0001970100000000, 0.0005256500000000, 0.0003239000000000 ] - [ -0.0001928500000000, 0.0005275100000000, -0.0003144200000000 ] - [ -0.0002624900000000, -0.0005200300000000, -0.0003085500000000 ] - [ 0.0001058400000000, -0.0005242000000000, 0.0003492900000000 ] - [ -0.0002785600000000, 0.0002501600000000, -0.0004509600000000 ] - [ -0.0001412800000000, 0.0003027200000000, -0.0000193100000000 ] - [ 0.0000261100000000, -0.0002746700000000, 0.0001444600000000 ] - [ -0.0001184100000000, -0.0002698800000000, -0.0002723100000000 ] - [ -0.0005758900000000, 0.0002061800000000, -0.0004396300000000 ] - [ -0.0005693800000000, 0.0004676700000000, -0.0000286200000000 ] - [ -0.0002075100000000, -0.0004543000000000, 0.0002390000000000 ] - [ -0.0002107500000000, -0.0002187600000000, -0.0001852800000000 ] - [ 0.0000321400000000, 0.0001253600000000, 0.0001590800000000 ] - [ -0.0003343800000000, 0.0002162700000000, -0.0003269300000000 ] - [ -0.0003078300000000, -0.0001859200000000, -0.0004032200000000 ] - [ 0.0000340500000000, -0.0001443000000000, 0.0000729600000000 ] - [ -0.0000842500000000, -0.0002431700000000, -0.0003512900000000 ] - [ -0.0001560400000000, -0.0001124500000000, 0.0005828600000000 ] - [ -0.0001790000000000, 0.0002397900000000, 0.0004090400000000 ] - [ -0.0001218900000000, 0.0001114700000000, -0.0005119600000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004514300000000, 0.0004456100000000, -0.0000952800000000 ] - [ 0.0004514300000000, 0.0004456100000000, 0.0000952800000000 ] - [ 0.0002466500000000, -0.0004212700000000, 0.0001789000000000 ] - [ -0.0002466500000000, -0.0004212700000000, -0.0001789000000000 ] - [ 0.0000886400000000, 0.0004252000000000, 0.0007137600000000 ] - [ -0.0000886400000000, 0.0004252000000000, -0.0007137600000000 ] - [ 0.0003164700000000, 0.0004848900000000, -0.0006969400000000 ] - [ -0.0003164700000000, 0.0004848900000000, 0.0006969400000000 ] - [ 0.0001184700000000, -0.0010821100000000, -0.0005385000000000 ] - [ -0.0001184700000000, -0.0010821100000000, 0.0005385000000000 ] - [ 0.0003775600000000, -0.0005799700000000, 0.0002239200000000 ] - [ -0.0003775600000000, -0.0005799700000000, -0.0002239200000000 ] - [ -0.0001187100000000, 0.0004462100000000, 0.0004339800000000 ] - [ 0.0001187100000000, 0.0004462100000000, -0.0004339800000000 ] - [ 0.0003358100000000, 0.0000322000000000, 0.0003135100000000 ] - [ -0.0003358100000000, 0.0000322000000000, -0.0003135100000000 ] - [ 0.0000916900000000, 0.0002275800000000, 0.0008166900000000 ] - [ -0.0000916900000000, 0.0002275800000000, -0.0008166900000000 ] - [ 0.0002781800000000, 0.0000787900000000, -0.0008280200000000 ] - [ -0.0002781800000000, 0.0000787900000000, 0.0008280200000000 ] - [ -0.0000001200000000, 0.0001032600000000, -0.0003188000000000 ] - [ 0.0000001200000000, 0.0001032600000000, 0.0003188000000000 ] - [ -0.0000590200000000, -0.0001625800000000, 0.0003060500000000 ] - [ 0.0000590200000000, -0.0001625800000000, -0.0003060500000000 ] - [ 0.0000000000000000, -0.0142511300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006223200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0031423500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004028700000000, 0.0000000000000000 ] - [ -0.0002252500000000, -0.0000050300000000, -0.0001064300000000 ] - [ 0.0002252500000000, -0.0000050300000000, 0.0001064300000000 ] - [ 0.0012365500000000, 0.0002414900000000, -0.0008763300000000 ] - [ -0.0012365500000000, 0.0002414900000000, 0.0008763300000000 ] - [ 0.0000000000000000, -0.0005541500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006196000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005114200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005037500000000, 0.0000000000000000 ] - [ -0.0003480600000000, -0.0002871500000000, -0.0003086200000000 ] - [ 0.0003480600000000, -0.0002871500000000, 0.0003086200000000 ] - [ 0.0002936300000000, 0.0002855100000000, 0.0003336700000000 ] - [ -0.0002936300000000, 0.0002855100000000, -0.0003336700000000 ] - [ -0.0004400800000000, 0.0003767900000000, 0.0000497500000000 ] - [ 0.0004400800000000, 0.0003767900000000, -0.0000497500000000 ] - [ 0.0002634000000000, -0.0003407100000000, 0.0000514100000000 ] - [ -0.0002634000000000, -0.0003407100000000, -0.0000514100000000 ] - [ 0.0001097000000000, 0.0004712200000000, 0.0003577900000000 ] - [ -0.0001097000000000, 0.0004712200000000, -0.0003577900000000 ] - [ -0.0001712400000000, -0.0003696700000000, -0.0002728500000000 ] - [ 0.0001712400000000, -0.0003696700000000, 0.0002728500000000 ] - [ -0.0000466300000000, 0.0002953800000000, -0.0002279200000000 ] - [ 0.0000466300000000, 0.0002953800000000, 0.0002279200000000 ] - [ 0.0033471600000000, 0.0012241000000000, -0.0003159700000000 ] - [ -0.0033471600000000, 0.0012241000000000, 0.0003159700000000 ] - [ -0.0009082400000000, 0.0001443500000000, -0.0004561300000000 ] - [ 0.0009082400000000, 0.0001443500000000, 0.0004561300000000 ] - [ -0.0000350500000000, -0.0007055600000000, 0.0004074000000000 ] - [ 0.0000350500000000, -0.0007055600000000, -0.0004074000000000 ] - [ 0.0004775700000000, -0.0000524800000000, 0.0003000200000000 ] - [ -0.0004775700000000, -0.0000524800000000, -0.0003000200000000 ] - [ -0.0001131500000000, -0.0003163100000000, 0.0001186500000000 ] - [ 0.0001131500000000, -0.0003163100000000, -0.0001186500000000 ] - [ 0.0048949200000000, 0.0041011200000000, 0.0009192800000000 ] - [ -0.0048949200000000, 0.0041011200000000, -0.0009192800000000 ] - [ -0.0001211900000000, 0.0002879200000000, 0.0004232900000000 ] - [ 0.0001211900000000, 0.0002879200000000, -0.0004232900000000 ] - [ -0.0002195000000000, 0.0003634800000000, -0.0000814500000000 ] - [ 0.0002195000000000, 0.0003634800000000, 0.0000814500000000 ] - [ 0.0002411100000000, -0.0003043200000000, 0.0000081800000000 ] - [ -0.0002411100000000, -0.0003043200000000, -0.0000081800000000 ] - [ 0.0002242500000000, 0.0005518200000000, 0.0003251000000000 ] - [ -0.0002242500000000, 0.0005518200000000, -0.0003251000000000 ] - [ -0.0000897200000000, -0.0007352900000000, -0.0003285200000000 ] - [ 0.0000897200000000, -0.0007352900000000, 0.0003285200000000 ] - [ -0.0001529900000000, 0.0002383700000000, -0.0003223500000000 ] - [ 0.0001529900000000, 0.0002383700000000, 0.0003223500000000 ] - [ 0.0000495600000000, -0.0002675700000000, 0.0002342300000000 ] - [ -0.0000495600000000, -0.0002675700000000, -0.0002342300000000 ] - [ -0.0002726000000000, 0.0002461500000000, -0.0003579200000000 ] - [ 0.0002726000000000, 0.0002461500000000, 0.0003579200000000 ] - [ -0.0000015900000000, -0.0003055400000000, 0.0002293800000000 ] - [ 0.0000015900000000, -0.0003055400000000, -0.0002293800000000 ] - [ 0.0002019100000000, 0.0001722200000000, 0.0002667900000000 ] - [ -0.0002019100000000, 0.0001722200000000, -0.0002667900000000 ] - [ -0.0001861800000000, -0.0001590500000000, -0.0002132600000000 ] - [ 0.0001861800000000, -0.0001590500000000, 0.0002132600000000 ] - [ 0.0000879500000000, -0.0002911100000000, -0.0003691300000000 ] - [ -0.0000879500000000, -0.0002911100000000, 0.0003691300000000 ] - [ -0.0000523600000000, 0.0001549600000000, 0.0005265400000000 ] - [ 0.0000523600000000, 0.0001549600000000, -0.0005265400000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001954700000000, 0.0004567900000000, -0.0003462900000000 ] - [ 0.0001954700000000, 0.0004567900000000, 0.0003462900000000 ] - [ 0.0003768900000000, -0.0004608000000000, 0.0002573800000000 ] - [ -0.0003768900000000, -0.0004608000000000, -0.0002573800000000 ] - [ -0.0007198000000000, -0.0007103200000000, 0.0009197000000000 ] - [ 0.0007198000000000, -0.0007103200000000, -0.0009197000000000 ] - [ 0.0003355700000000, -0.0001894300000000, -0.0009190100000000 ] - [ -0.0003355700000000, -0.0001894300000000, 0.0009190100000000 ] - [ -0.0000394200000000, 0.0013917000000000, -0.0001426600000000 ] - [ 0.0000394200000000, 0.0013917000000000, 0.0001426600000000 ] - [ -0.0004288900000000, 0.0002603800000000, 0.0004438300000000 ] - [ 0.0004288900000000, 0.0002603800000000, -0.0004438300000000 ] - [ -0.0005004100000000, 0.0004679100000000, -0.0008739800000000 ] - [ 0.0005004100000000, 0.0004679100000000, 0.0008739800000000 ] - [ 0.0002894700000000, -0.0009373400000000, 0.0001232400000000 ] - [ -0.0002894700000000, -0.0009373400000000, -0.0001232400000000 ] - [ -0.0007142800000000, -0.0005158900000000, 0.0008297600000000 ] - [ 0.0007142800000000, -0.0005158900000000, -0.0008297600000000 ] - [ 0.0003470200000000, 0.0002036300000000, -0.0007942600000000 ] - [ -0.0003470200000000, 0.0002036300000000, 0.0007942600000000 ] - [ 0.0000631300000000, 0.0002144600000000, -0.0003539100000000 ] - [ -0.0000631300000000, 0.0002144600000000, 0.0003539100000000 ] - [ 0.0000028100000000, -0.0001632100000000, 0.0003526500000000 ] - [ -0.0000028100000000, -0.0001632100000000, -0.0003526500000000 ] - [ 0.0000000000000000, 0.0128940800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005700900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0040709500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005701400000000, 0.0000000000000000 ] - [ -0.0003907600000000, -0.0005337500000000, -0.0005161100000000 ] - [ 0.0003907600000000, -0.0005337500000000, 0.0005161100000000 ] - [ -0.0006223200000000, 0.0003024900000000, 0.0015036700000000 ] - [ 0.0006223200000000, 0.0003024900000000, -0.0015036700000000 ] - [ 0.0000000000000000, -0.0006395000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005760900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004622400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004668600000000, 0.0000000000000000 ] - [ -0.0002660200000000, -0.0002499200000000, -0.0003163600000000 ] - [ 0.0002660200000000, -0.0002499200000000, 0.0003163600000000 ] - [ 0.0003212500000000, 0.0002525100000000, 0.0002914000000000 ] - [ -0.0003212500000000, 0.0002525100000000, -0.0002914000000000 ] - [ -0.0001012800000000, 0.0003452000000000, -0.0000676000000000 ] - [ 0.0001012800000000, 0.0003452000000000, 0.0000676000000000 ] - [ 0.0002676600000000, -0.0003809200000000, -0.0000242600000000 ] - [ -0.0002676600000000, -0.0003809200000000, 0.0000242600000000 ] - [ 0.0002914000000000, 0.0005264400000000, 0.0003078500000000 ] - [ -0.0002914000000000, 0.0005264400000000, -0.0003078500000000 ] - [ -0.0002307800000000, -0.0006258300000000, -0.0003864700000000 ] - [ 0.0002307800000000, -0.0006258300000000, 0.0003864700000000 ] - [ -0.0001371300000000, 0.0002276900000000, -0.0003096500000000 ] - [ 0.0001371300000000, 0.0002276900000000, 0.0003096500000000 ] - [ -0.0032321800000000, -0.0017611600000000, 0.0008415600000000 ] - [ 0.0032321800000000, -0.0017611600000000, -0.0008415600000000 ] - [ 0.0007905000000000, 0.0004200100000000, 0.0000076100000000 ] - [ -0.0007905000000000, 0.0004200100000000, -0.0000076100000000 ] - [ 0.0001330700000000, 0.0001387300000000, 0.0000351900000000 ] - [ -0.0001330700000000, 0.0001387300000000, -0.0000351900000000 ] - [ -0.0000861700000000, 0.0003886400000000, 0.0002001300000000 ] - [ 0.0000861700000000, 0.0003886400000000, -0.0002001300000000 ] - [ -0.0002749100000000, -0.0000266100000000, -0.0006122000000000 ] - [ 0.0002749100000000, -0.0000266100000000, 0.0006122000000000 ] - [ -0.0046499400000000, -0.0044337100000000, -0.0017994100000000 ] - [ 0.0046499400000000, -0.0044337100000000, 0.0017994100000000 ] - [ 0.0000040000000000, 0.0001093200000000, 0.0004868300000000 ] - [ -0.0000040000000000, 0.0001093200000000, -0.0004868300000000 ] - [ -0.0003078300000000, 0.0003601400000000, 0.0000602800000000 ] - [ 0.0003078300000000, 0.0003601400000000, -0.0000602800000000 ] - [ 0.0002891500000000, -0.0004158200000000, 0.0000155000000000 ] - [ -0.0002891500000000, -0.0004158200000000, -0.0000155000000000 ] - [ 0.0001740000000000, 0.0004307700000000, 0.0003322900000000 ] - [ -0.0001740000000000, 0.0004307700000000, -0.0003322900000000 ] - [ -0.0003094800000000, -0.0002516500000000, -0.0003348800000000 ] - [ 0.0003094800000000, -0.0002516500000000, 0.0003348800000000 ] - [ -0.0000337600000000, 0.0002895800000000, -0.0002258800000000 ] - [ 0.0000337600000000, 0.0002895800000000, 0.0002258800000000 ] - [ 0.0001321200000000, -0.0002588400000000, 0.0002994700000000 ] - [ -0.0001321200000000, -0.0002588400000000, -0.0002994700000000 ] - [ 0.0001460300000000, 0.0003108000000000, -0.0000797300000000 ] - [ -0.0001460300000000, 0.0003108000000000, 0.0000797300000000 ] - [ 0.0001054500000000, -0.0002534800000000, 0.0002104700000000 ] - [ -0.0001054500000000, -0.0002534800000000, -0.0002104700000000 ] - [ 0.0001937000000000, 0.0001622200000000, 0.0002326800000000 ] - [ -0.0001937000000000, 0.0001622200000000, -0.0002326800000000 ] - [ -0.0002061900000000, -0.0001764000000000, -0.0002827900000000 ] - [ 0.0002061900000000, -0.0001764000000000, 0.0002827900000000 ] - [ 0.0000288700000000, -0.0001063300000000, -0.0005377700000000 ] - [ -0.0000288700000000, -0.0001063300000000, 0.0005377700000000 ] - [ -0.0000625200000000, 0.0002396900000000, 0.0003854000000000 ] - [ 0.0000625200000000, 0.0002396900000000, -0.0003854000000000 ]- atom: 25 displacement: [ -0.0002562758177658, 0.0000000000000000, 0.0099967155958959 ] forces: - [ -0.0002980200000000, 0.0003981200000000, -0.0002001100000000 ] - [ 0.0003678100000000, 0.0005937800000000, 0.0002618100000000 ] - [ 0.0002463000000000, -0.0004195400000000, 0.0002963200000000 ] - [ -0.0004114900000000, -0.0005651300000000, -0.0001652700000000 ] - [ -0.0008851800000000, -0.0001881700000000, 0.0000906300000000 ] - [ -0.0003109000000000, -0.0000091200000000, -0.0014222500000000 ] - [ 0.0009435000000000, 0.0000659000000000, 0.0001115900000000 ] - [ 0.0003291400000000, 0.0001471800000000, 0.0016549800000000 ] - [ 0.0009788500000000, -0.0003834700000000, -0.0007896800000000 ] - [ 0.0009572500000000, 0.0005953900000000, -0.0000909400000000 ] - [ -0.0002995600000000, 0.0001918900000000, 0.0006118700000000 ] - [ -0.0002775000000000, -0.0004172200000000, -0.0000966100000000 ] - [ 0.0001332900000000, 0.0013514700000000, -0.0005068200000000 ] - [ 0.0008129700000000, -0.0003876700000000, -0.0000495600000000 ] - [ 0.0000266700000000, -0.0012191400000000, 0.0002423100000000 ] - [ -0.0006373600000000, 0.0002556900000000, -0.0002217300000000 ] - [ -0.0004479200000000, -0.0001554800000000, 0.0007945300000000 ] - [ 0.0001632400000000, -0.0000650400000000, -0.0007357000000000 ] - [ 0.0003748500000000, 0.0002579000000000, -0.0006637400000000 ] - [ -0.0002367400000000, -0.0000578100000000, 0.0008296200000000 ] - [ 0.0000463000000000, 0.0001533700000000, -0.0004335700000000 ] - [ -0.0000057200000000, 0.0000528700000000, 0.0002737100000000 ] - [ -0.0001006400000000, -0.0000861400000000, 0.0003837500000000 ] - [ -0.0000500900000000, -0.0001236900000000, -0.0003282800000000 ] - [ -0.0021962400000000, -0.0005639200000000, -0.0061781500000000 ] - [ -0.0000555900000000, 0.0005876100000000, 0.0002676800000000 ] - [ -0.0001048600000000, -0.0004920900000000, -0.0006952600000000 ] - [ -0.0001473300000000, 0.0004862800000000, 0.0003928600000000 ] - [ -0.0002105500000000, -0.0001543600000000, -0.0001865900000000 ] - [ 0.0004023400000000, -0.0003488900000000, 0.0004724200000000 ] - [ -0.0013085500000000, -0.0008911500000000, 0.0019034300000000 ] - [ -0.0019056600000000, 0.0013814900000000, 0.0012364000000000 ] - [ 0.0000429000000000, -0.0005869100000000, -0.0000596500000000 ] - [ 0.0001520800000000, 0.0005881800000000, 0.0000956700000000 ] - [ 0.0001312900000000, -0.0004871100000000, -0.0000935200000000 ] - [ 0.0000243500000000, 0.0004861700000000, 0.0000620900000000 ] - [ -0.0002767100000000, -0.0002572500000000, -0.0002965500000000 ] - [ 0.0003375800000000, -0.0002453800000000, 0.0003621700000000 ] - [ 0.0003766300000000, 0.0002519000000000, 0.0003176700000000 ] - [ -0.0002374600000000, 0.0002526700000000, -0.0003416700000000 ] - [ -0.0001365900000000, 0.0003522300000000, -0.0000042300000000 ] - [ 0.0004063700000000, 0.0004057000000000, -0.0000240600000000 ] - [ 0.0001122100000000, -0.0003995500000000, 0.0000597700000000 ] - [ -0.0004238500000000, -0.0003745200000000, 0.0000695000000000 ] - [ 0.0001983400000000, 0.0003379900000000, 0.0003092900000000 ] - [ -0.0001729900000000, 0.0006965100000000, -0.0003405400000000 ] - [ -0.0001143300000000, -0.0005190600000000, -0.0002678100000000 ] - [ 0.0002598100000000, -0.0005200700000000, 0.0003704200000000 ] - [ -0.0001045800000000, 0.0002691600000000, -0.0002017000000000 ] - [ 0.0000435800000000, 0.0002813700000000, 0.0002343300000000 ] - [ 0.0006158900000000, 0.0000000000000000, -0.0003514300000000 ] - [ 0.0004715000000000, -0.0005426000000000, -0.0007997000000000 ] - [ 0.0008754800000000, 0.0008524300000000, 0.0000213100000000 ] - [ 0.0008996700000000, -0.0001814700000000, 0.0004513200000000 ] - [ -0.0007700800000000, -0.0006093500000000, 0.0022046200000000 ] - [ -0.0007529900000000, -0.0000517500000000, 0.0018874000000000 ] - [ 0.0000207600000000, 0.0002411200000000, 0.0002678600000000 ] - [ -0.0003327400000000, 0.0000905000000000, -0.0002113000000000 ] - [ -0.0002577800000000, 0.0001921200000000, -0.0004125300000000 ] - [ 0.0001114500000000, -0.0005327500000000, 0.0000686100000000 ] - [ 0.0015523500000000, 0.0008160100000000, -0.0001388300000000 ] - [ 0.0015030600000000, -0.0011833200000000, 0.0007980200000000 ] - [ 0.0001779500000000, 0.0002543900000000, 0.0001206100000000 ] - [ 0.0002523600000000, 0.0000969200000000, -0.0008113400000000 ] - [ -0.0002113200000000, 0.0004538400000000, 0.0001061100000000 ] - [ 0.0003344500000000, 0.0003140500000000, 0.0001003800000000 ] - [ 0.0002106300000000, -0.0004453500000000, -0.0000889700000000 ] - [ -0.0003392400000000, -0.0003110500000000, -0.0000670100000000 ] - [ 0.0000550800000000, 0.0006531000000000, 0.0003373400000000 ] - [ -0.0003355600000000, 0.0003925100000000, -0.0003013100000000 ] - [ 0.0000639100000000, -0.0006082200000000, -0.0003559300000000 ] - [ 0.0004356700000000, -0.0004292400000000, 0.0003014800000000 ] - [ -0.0004963200000000, 0.0001871400000000, -0.0004893500000000 ] - [ -0.0003559300000000, 0.0003653100000000, -0.0000475200000000 ] - [ 0.0001699900000000, -0.0002562900000000, 0.0002979000000000 ] - [ 0.0000243900000000, -0.0002876300000000, -0.0001319000000000 ] - [ -0.0001233300000000, 0.0002772000000000, -0.0001965800000000 ] - [ -0.0001082500000000, 0.0003860000000000, 0.0002150800000000 ] - [ 0.0000236000000000, -0.0003055900000000, 0.0002087400000000 ] - [ 0.0000113600000000, -0.0003550000000000, -0.0002151000000000 ] - [ 0.0001466900000000, 0.0001811900000000, 0.0002127500000000 ] - [ -0.0002221900000000, 0.0001580500000000, -0.0002723400000000 ] - [ -0.0001823400000000, -0.0001794800000000, -0.0002690000000000 ] - [ 0.0001682400000000, -0.0001517600000000, 0.0002091800000000 ] - [ -0.0000149900000000, -0.0002622600000000, -0.0003040800000000 ] - [ -0.0000863800000000, -0.0000969400000000, 0.0006270800000000 ] - [ -0.0000520600000000, 0.0002630300000000, 0.0003184900000000 ] - [ 0.0000057800000000, 0.0000922300000000, -0.0006009000000000 ]- atom: 27 displacement: [ 0.0099999862199687, 0.0000000000000000, 0.0000166012179150 ] forces: - [ -0.0003042300000000, 0.0006658200000000, -0.0000963300000000 ] - [ 0.0003447700000000, 0.0003210500000000, 0.0003657900000000 ] - [ 0.0004605900000000, -0.0003878800000000, 0.0002074900000000 ] - [ -0.0001896300000000, -0.0005960000000000, -0.0002543200000000 ] - [ 0.0006036400000000, -0.0009761900000000, 0.0004095300000000 ] - [ 0.0011681600000000, 0.0007631400000000, -0.0011005800000000 ] - [ 0.0001857800000000, 0.0001957700000000, -0.0009028500000000 ] - [ -0.0004252000000000, 0.0000219500000000, 0.0006497100000000 ] - [ 0.0001922400000000, 0.0002902100000000, 0.0003002900000000 ] - [ 0.0001748100000000, -0.0000680600000000, 0.0010029400000000 ] - [ 0.0001209200000000, -0.0001003300000000, 0.0004814800000000 ] - [ 0.0001482800000000, -0.0001283000000000, -0.0002240500000000 ] - [ -0.0002747400000000, 0.0002188500000000, -0.0002153800000000 ] - [ 0.0003909800000000, 0.0007488700000000, 0.0002522300000000 ] - [ -0.0002565700000000, -0.0004019200000000, -0.0007714400000000 ] - [ -0.0009051100000000, -0.0005559100000000, -0.0012318700000000 ] - [ -0.0002652800000000, -0.0002262900000000, 0.0007201300000000 ] - [ 0.0003655900000000, -0.0000014200000000, -0.0008227100000000 ] - [ 0.0002764500000000, 0.0000975700000000, -0.0007228600000000 ] - [ -0.0003470000000000, 0.0001117600000000, 0.0007803200000000 ] - [ 0.0005951400000000, 0.0001820100000000, -0.0001925900000000 ] - [ 0.0005490000000000, 0.0000396600000000, 0.0005125800000000 ] - [ -0.0000295200000000, -0.0001756900000000, 0.0005456800000000 ] - [ 0.0000229700000000, -0.0000345800000000, -0.0001648100000000 ] - [ -0.0010087500000000, -0.0005771900000000, -0.0001334500000000 ] - [ -0.0004948700000000, 0.0005825600000000, -0.0001588100000000 ] - [ -0.0245243800000000, -0.0004394600000000, -0.0012987600000000 ] - [ -0.0003231900000000, 0.0004873200000000, 0.0000703400000000 ] - [ -0.0001022500000000, -0.0002599400000000, 0.0016671100000000 ] - [ 0.0005135700000000, -0.0002366200000000, 0.0023273200000000 ] - [ 0.0000011500000000, 0.0002585500000000, 0.0002562500000000 ] - [ -0.0006050400000000, 0.0002344800000000, -0.0004135000000000 ] - [ 0.0004276600000000, -0.0005825800000000, 0.0001414100000000 ] - [ 0.0003452600000000, 0.0005833500000000, 0.0000324800000000 ] - [ 0.0003404200000000, -0.0004884500000000, -0.0000220000000000 ] - [ 0.0003763200000000, 0.0004871900000000, -0.0001366000000000 ] - [ -0.0000500500000000, -0.0002654800000000, -0.0003458200000000 ] - [ 0.0005597200000000, -0.0002294600000000, 0.0003221700000000 ] - [ 0.0006084500000000, 0.0002361600000000, 0.0003768600000000 ] - [ -0.0000019400000000, 0.0002604700000000, -0.0002916800000000 ] - [ -0.0003728300000000, 0.0004256200000000, 0.0001119700000000 ] - [ 0.0001659100000000, 0.0003371600000000, 0.0000925000000000 ] - [ 0.0003506400000000, -0.0003563700000000, 0.0000502700000000 ] - [ -0.0001797800000000, -0.0004248400000000, 0.0000618400000000 ] - [ 0.0001137500000000, 0.0003888500000000, 0.0004573100000000 ] - [ -0.0002541600000000, 0.0006491000000000, -0.0001908800000000 ] - [ -0.0003188300000000, -0.0004758400000000, -0.0004350100000000 ] - [ 0.0000538300000000, -0.0005687500000000, 0.0002025700000000 ] - [ -0.0000134900000000, 0.0003846100000000, 0.0000041100000000 ] - [ 0.0001355700000000, 0.0001679200000000, 0.0004381000000000 ] - [ 0.0000212800000000, -0.0003489700000000, 0.0001569500000000 ] - [ -0.0001063800000000, -0.0002101500000000, -0.0002960700000000 ] - [ 0.0001984300000000, -0.0004380600000000, -0.0014035300000000 ] - [ 0.0002177000000000, 0.0011019900000000, -0.0009702800000000 ] - [ 0.0001078900000000, -0.0002519400000000, 0.0001579700000000 ] - [ 0.0000840700000000, -0.0004045400000000, -0.0002405200000000 ] - [ 0.0002764400000000, -0.0001360800000000, 0.0001319700000000 ] - [ -0.0000695000000000, 0.0004679900000000, -0.0003505500000000 ] - [ 0.0000335800000000, 0.0008362200000000, 0.0005738800000000 ] - [ 0.0004041600000000, -0.0011888000000000, 0.0010685600000000 ] - [ 0.0049586300000000, -0.0045206000000000, 0.0010671300000000 ] - [ 0.0047577200000000, 0.0040303900000000, 0.0019403200000000 ] - [ 0.0001772300000000, 0.0000971400000000, 0.0005094400000000 ] - [ 0.0002587400000000, 0.0002466800000000, -0.0004341400000000 ] - [ -0.0002614200000000, 0.0003783600000000, -0.0000347400000000 ] - [ 0.0002835500000000, 0.0003956400000000, -0.0000392300000000 ] - [ 0.0066831000000000, 0.0037839800000000, -0.0020279900000000 ] - [ 0.0059195700000000, -0.0044402200000000, -0.0019176800000000 ] - [ 0.0002399600000000, 0.0003714500000000, 0.0003513400000000 ] - [ -0.0001545200000000, 0.0006730200000000, -0.0002843100000000 ] - [ -0.0001831100000000, -0.0004920200000000, -0.0003791100000000 ] - [ 0.0001883500000000, -0.0005490500000000, 0.0002766600000000 ] - [ -0.0001072900000000, 0.0003011400000000, -0.0003375000000000 ] - [ 0.0000334100000000, 0.0002521800000000, 0.0001037900000000 ] - [ 0.0000839400000000, -0.0003302700000000, 0.0001323400000000 ] - [ -0.0000654700000000, -0.0002130100000000, -0.0002999200000000 ] - [ -0.0001983600000000, 0.0002498800000000, -0.0002203800000000 ] - [ -0.0001852300000000, 0.0004147900000000, 0.0001873800000000 ] - [ -0.0004987400000000, -0.0003492200000000, 0.0004003300000000 ] - [ -0.0005130500000000, -0.0003132800000000, -0.0000202200000000 ] - [ 0.0000368500000000, 0.0001196200000000, 0.0001752200000000 ] - [ -0.0003246800000000, 0.0002183000000000, -0.0003112700000000 ] - [ -0.0002858000000000, -0.0001733700000000, -0.0004060200000000 ] - [ 0.0000571300000000, -0.0001572600000000, 0.0000733500000000 ] - [ -0.0000159700000000, -0.0001358800000000, -0.0005745200000000 ] - [ -0.0000925000000000, -0.0002183300000000, 0.0003659200000000 ] - [ -0.0001820100000000, 0.0001703300000000, 0.0005435500000000 ] - [ -0.0001224300000000, 0.0001795200000000, -0.0003825900000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003286500000000, 0.0004653400000000, -0.0002350100000000 ] - [ 0.0003286500000000, 0.0004653400000000, 0.0002350100000000 ] - [ 0.0002802400000000, -0.0004613100000000, 0.0001787800000000 ] - [ -0.0002802400000000, -0.0004613100000000, -0.0001787800000000 ] - [ -0.0008176300000000, -0.0011640600000000, 0.0011588300000000 ] - [ 0.0008176300000000, -0.0011640600000000, -0.0011588300000000 ] - [ 0.0003952700000000, 0.0000279300000000, -0.0008166700000000 ] - [ -0.0003952700000000, 0.0000279300000000, 0.0008166700000000 ] - [ 0.0000244500000000, 0.0007648800000000, -0.0000592800000000 ] - [ -0.0000244500000000, 0.0007648800000000, 0.0000592800000000 ] - [ -0.0005162600000000, 0.0002711900000000, 0.0004876500000000 ] - [ 0.0005162600000000, 0.0002711900000000, -0.0004876500000000 ] - [ -0.0007296200000000, 0.0007066000000000, -0.0001168500000000 ] - [ 0.0007296200000000, 0.0007066000000000, 0.0001168500000000 ] - [ 0.0001733800000000, -0.0012023800000000, -0.0001034300000000 ] - [ -0.0001733800000000, -0.0012023800000000, 0.0001034300000000 ] - [ -0.0001946800000000, -0.0002867600000000, 0.0007990600000000 ] - [ 0.0001946800000000, -0.0002867600000000, -0.0007990600000000 ] - [ 0.0002494300000000, 0.0002185400000000, -0.0007659400000000 ] - [ -0.0002494300000000, 0.0002185400000000, 0.0007659400000000 ] - [ 0.0004604600000000, 0.0005361800000000, -0.0004305800000000 ] - [ -0.0004604600000000, 0.0005361800000000, 0.0004305800000000 ] - [ 0.0000010600000000, -0.0001452400000000, 0.0002883400000000 ] - [ -0.0000010600000000, -0.0001452400000000, -0.0002883400000000 ] - [ 0.0000000000000000, 0.0029870300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005137200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0216591900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006838900000000, 0.0000000000000000 ] - [ -0.0003605800000000, -0.0009997600000000, -0.0005796000000000 ] - [ 0.0003605800000000, -0.0009997600000000, 0.0005796000000000 ] - [ 0.0002199700000000, 0.0004905200000000, 0.0003139100000000 ] - [ -0.0002199700000000, 0.0004905200000000, -0.0003139100000000 ] - [ 0.0000000000000000, -0.0006219400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006167600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004688200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004398600000000, 0.0000000000000000 ] - [ -0.0003056800000000, -0.0002505900000000, -0.0003083100000000 ] - [ 0.0003056800000000, -0.0002505900000000, 0.0003083100000000 ] - [ 0.0002834200000000, 0.0002296600000000, 0.0002881300000000 ] - [ -0.0002834200000000, 0.0002296600000000, -0.0002881300000000 ] - [ -0.0000483100000000, 0.0003659000000000, -0.0000774800000000 ] - [ 0.0000483100000000, 0.0003659000000000, 0.0000774800000000 ] - [ 0.0003102200000000, -0.0003626800000000, -0.0000042300000000 ] - [ -0.0003102200000000, -0.0003626800000000, 0.0000042300000000 ] - [ 0.0002745700000000, 0.0006679300000000, 0.0002972400000000 ] - [ -0.0002745700000000, 0.0006679300000000, -0.0002972400000000 ] - [ -0.0001975700000000, -0.0005777300000000, -0.0002807700000000 ] - [ 0.0001975700000000, -0.0005777300000000, 0.0002807700000000 ] - [ -0.0001008300000000, 0.0002846700000000, -0.0002167600000000 ] - [ 0.0001008300000000, 0.0002846700000000, 0.0002167600000000 ] - [ -0.0000354300000000, -0.0002666400000000, 0.0003476900000000 ] - [ 0.0000354300000000, -0.0002666400000000, -0.0003476900000000 ] - [ 0.0002126100000000, 0.0006999400000000, 0.0007751900000000 ] - [ -0.0002126100000000, 0.0006999400000000, -0.0007751900000000 ] - [ 0.0000140000000000, -0.0003708500000000, 0.0001493000000000 ] - [ -0.0000140000000000, -0.0003708500000000, -0.0001493000000000 ] - [ -0.0001188300000000, -0.0001525700000000, 0.0000628200000000 ] - [ 0.0001188300000000, -0.0001525700000000, -0.0000628200000000 ] - [ 0.0011413700000000, 0.0049435100000000, 0.0041058700000000 ] - [ -0.0011413700000000, 0.0049435100000000, -0.0041058700000000 ] - [ -0.0034729200000000, 0.0028647900000000, -0.0019913600000000 ] - [ 0.0034729200000000, 0.0028647900000000, 0.0019913600000000 ] - [ -0.0000027600000000, 0.0001715100000000, 0.0004679800000000 ] - [ 0.0000027600000000, 0.0001715100000000, -0.0004679800000000 ] - [ -0.0002485700000000, 0.0003533300000000, -0.0000588900000000 ] - [ 0.0002485700000000, 0.0003533300000000, 0.0000588900000000 ] - [ 0.0035994000000000, 0.0007107200000000, -0.0007831800000000 ] - [ -0.0035994000000000, 0.0007107200000000, 0.0007831800000000 ] - [ 0.0001896300000000, 0.0004529500000000, 0.0003180800000000 ] - [ -0.0001896300000000, 0.0004529500000000, -0.0003180800000000 ] - [ -0.0002902700000000, -0.0003678000000000, -0.0002780900000000 ] - [ 0.0002902700000000, -0.0003678000000000, 0.0002780900000000 ] - [ -0.0000880200000000, 0.0002735500000000, -0.0002546600000000 ] - [ 0.0000880200000000, 0.0002735500000000, 0.0002546600000000 ] - [ 0.0001809900000000, -0.0002634800000000, 0.0002556300000000 ] - [ -0.0001809900000000, -0.0002634800000000, -0.0002556300000000 ] - [ -0.0000649400000000, 0.0002670600000000, -0.0002243100000000 ] - [ 0.0000649400000000, 0.0002670600000000, 0.0002243100000000 ] - [ -0.0001327900000000, -0.0001981800000000, 0.0003587200000000 ] - [ 0.0001327900000000, -0.0001981800000000, -0.0003587200000000 ] - [ 0.0001931700000000, 0.0001777400000000, 0.0002464900000000 ] - [ -0.0001931700000000, 0.0001777400000000, -0.0002464900000000 ] - [ -0.0001855900000000, -0.0001554900000000, -0.0002657700000000 ] - [ 0.0001855900000000, -0.0001554900000000, 0.0002657700000000 ] - [ -0.0000225700000000, -0.0001647800000000, -0.0004379100000000 ] - [ 0.0000225700000000, -0.0001647800000000, 0.0004379100000000 ] - [ -0.0000360400000000, 0.0002002100000000, 0.0004201800000000 ] - [ 0.0000360400000000, 0.0002002100000000, -0.0004201800000000 ]- atom: 27 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002973800000000, 0.0004303300000000, -0.0002054300000000 ] - [ 0.0002973800000000, 0.0004303300000000, 0.0002054300000000 ] - [ 0.0003291000000000, -0.0004198800000000, 0.0002577300000000 ] - [ -0.0003291000000000, -0.0004198800000000, -0.0002577300000000 ] - [ 0.0001716900000000, 0.0008829500000000, 0.0004624900000000 ] - [ -0.0001716900000000, 0.0008829500000000, -0.0004624900000000 ] - [ 0.0002521200000000, 0.0002658300000000, -0.0008065700000000 ] - [ -0.0002521200000000, 0.0002658300000000, 0.0008065700000000 ] - [ 0.0000348300000000, -0.0004608200000000, -0.0006181500000000 ] - [ -0.0000348300000000, -0.0004608200000000, 0.0006181500000000 ] - [ 0.0004556700000000, -0.0005846900000000, 0.0001828100000000 ] - [ -0.0004556700000000, -0.0005846900000000, -0.0001828100000000 ] - [ 0.0001320900000000, 0.0002110500000000, -0.0003221000000000 ] - [ -0.0001320900000000, 0.0002110500000000, 0.0003221000000000 ] - [ 0.0004343000000000, 0.0003044600000000, 0.0005426000000000 ] - [ -0.0004343000000000, 0.0003044600000000, -0.0005426000000000 ] - [ -0.0004418300000000, -0.0000012300000000, 0.0008431100000000 ] - [ 0.0004418300000000, -0.0000012300000000, -0.0008431100000000 ] - [ 0.0003778700000000, 0.0000647100000000, -0.0008595600000000 ] - [ -0.0003778700000000, 0.0000647100000000, 0.0008595600000000 ] - [ -0.0004024500000000, -0.0002166100000000, -0.0002407600000000 ] - [ 0.0004024500000000, -0.0002166100000000, 0.0002407600000000 ] - [ -0.0000605300000000, -0.0001769800000000, 0.0003717000000000 ] - [ 0.0000605300000000, -0.0001769800000000, -0.0003717000000000 ] - [ 0.0000000000000000, -0.0042278200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006817700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0206121100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002872900000000, 0.0000000000000000 ] - [ -0.0002666000000000, 0.0004624200000000, -0.0000527000000000 ] - [ 0.0002666000000000, 0.0004624200000000, 0.0000527000000000 ] - [ 0.0003978700000000, 0.0000461800000000, 0.0003110500000000 ] - [ -0.0003978700000000, 0.0000461800000000, -0.0003110500000000 ] - [ 0.0000000000000000, -0.0005744600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005810300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005035900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005297100000000, 0.0000000000000000 ] - [ -0.0003122000000000, -0.0002875700000000, -0.0003143800000000 ] - [ 0.0003122000000000, -0.0002875700000000, 0.0003143800000000 ] - [ 0.0003352700000000, 0.0003091300000000, 0.0003348300000000 ] - [ -0.0003352700000000, 0.0003091300000000, -0.0003348300000000 ] - [ -0.0004868300000000, 0.0003559300000000, 0.0000603900000000 ] - [ 0.0004868300000000, 0.0003559300000000, -0.0000603900000000 ] - [ 0.0002172800000000, -0.0003632200000000, 0.0000272500000000 ] - [ -0.0002172800000000, -0.0003632200000000, -0.0000272500000000 ] - [ 0.0001244400000000, 0.0003294600000000, 0.0003664800000000 ] - [ -0.0001244400000000, 0.0003294600000000, -0.0003664800000000 ] - [ -0.0002005300000000, -0.0004194700000000, -0.0003764200000000 ] - [ 0.0002005300000000, -0.0004194700000000, 0.0003764200000000 ] - [ -0.0000869400000000, 0.0002422500000000, -0.0003163300000000 ] - [ 0.0000869400000000, 0.0002422500000000, 0.0003163300000000 ] - [ 0.0002193300000000, -0.0002628000000000, 0.0001894800000000 ] - [ -0.0002193300000000, -0.0002628000000000, -0.0001894800000000 ] - [ -0.0003145000000000, -0.0001363800000000, -0.0012326300000000 ] - [ 0.0003145000000000, -0.0001363800000000, 0.0012326300000000 ] - [ 0.0000940200000000, -0.0001951600000000, 0.0002859400000000 ] - [ -0.0000940200000000, -0.0001951600000000, -0.0002859400000000 ] - [ 0.0005076000000000, 0.0004839400000000, 0.0004351800000000 ] - [ -0.0005076000000000, 0.0004839400000000, -0.0004351800000000 ] - [ -0.0014899100000000, -0.0051536500000000, -0.0044638600000000 ] - [ 0.0014899100000000, -0.0051536500000000, 0.0044638600000000 ] - [ 0.0036759200000000, -0.0033235800000000, 0.0011157400000000 ] - [ -0.0036759200000000, -0.0033235800000000, -0.0011157400000000 ] - [ -0.0001034900000000, 0.0002216000000000, 0.0004447000000000 ] - [ 0.0001034900000000, 0.0002216000000000, -0.0004447000000000 ] - [ -0.0002775800000000, 0.0003699600000000, 0.0000362300000000 ] - [ 0.0002775800000000, 0.0003699600000000, -0.0000362300000000 ] - [ -0.0030301600000000, -0.0014418700000000, 0.0007872900000000 ] - [ 0.0030301600000000, -0.0014418700000000, -0.0007872900000000 ] - [ 0.0002117600000000, 0.0005325500000000, 0.0003357200000000 ] - [ -0.0002117600000000, 0.0005325500000000, -0.0003357200000000 ] - [ -0.0001046100000000, -0.0006237500000000, -0.0003840200000000 ] - [ 0.0001046100000000, -0.0006237500000000, 0.0003840200000000 ] - [ -0.0000995400000000, 0.0002568600000000, -0.0002887000000000 ] - [ 0.0000995400000000, 0.0002568600000000, 0.0002887000000000 ] - [ 0.0000036100000000, -0.0002642100000000, 0.0002790000000000 ] - [ -0.0000036100000000, -0.0002642100000000, -0.0002790000000000 ] - [ -0.0000574200000000, 0.0002937300000000, -0.0002109800000000 ] - [ 0.0000574200000000, 0.0002937300000000, 0.0002109800000000 ] - [ 0.0002422000000000, -0.0003631100000000, 0.0000808400000000 ] - [ -0.0002422000000000, -0.0003631100000000, -0.0000808400000000 ] - [ 0.0002025400000000, 0.0001524200000000, 0.0002531100000000 ] - [ -0.0002025400000000, 0.0001524200000000, -0.0002531100000000 ] - [ -0.0002088500000000, -0.0001776600000000, -0.0002310800000000 ] - [ 0.0002088500000000, -0.0001776600000000, 0.0002310800000000 ] - [ 0.0001294700000000, -0.0002278000000000, -0.0004740500000000 ] - [ -0.0001294700000000, -0.0002278000000000, 0.0004740500000000 ] - [ -0.0000675800000000, 0.0001916800000000, 0.0004918000000000 ] - [ 0.0000675800000000, 0.0001916800000000, -0.0004918000000000 ]- atom: 27 displacement: [ -0.0002562758177658, 0.0000000000000000, 0.0099967155958959 ] forces: - [ -0.0002164800000000, 0.0004195100000000, -0.0002725900000000 ] - [ 0.0004323000000000, 0.0005620800000000, 0.0001906600000000 ] - [ 0.0003303200000000, -0.0004923400000000, 0.0001795500000000 ] - [ -0.0003148000000000, -0.0004856200000000, -0.0002863000000000 ] - [ -0.0012242500000000, 0.0004833600000000, -0.0003390300000000 ] - [ -0.0006469300000000, -0.0006785600000000, -0.0018613800000000 ] - [ 0.0002926400000000, 0.0001371400000000, -0.0005954800000000 ] - [ -0.0003178600000000, 0.0000784000000000, 0.0009546400000000 ] - [ 0.0000571200000000, 0.0000753000000000, -0.0000757000000000 ] - [ 0.0000318500000000, 0.0001400100000000, 0.0006263300000000 ] - [ -0.0004426300000000, 0.0000693200000000, 0.0009595700000000 ] - [ -0.0004120900000000, -0.0003047300000000, 0.0002585400000000 ] - [ 0.0001338900000000, 0.0004504800000000, -0.0003330200000000 ] - [ 0.0007897700000000, 0.0005166600000000, 0.0001322900000000 ] - [ -0.0000877900000000, -0.0012285800000000, 0.0008135800000000 ] - [ -0.0007417600000000, 0.0002783400000000, 0.0003454400000000 ] - [ -0.0003619000000000, -0.0001808800000000, 0.0005834500000000 ] - [ 0.0002618300000000, -0.0000435200000000, -0.0009534000000000 ] - [ 0.0004848500000000, 0.0001434500000000, -0.0007483500000000 ] - [ -0.0001355200000000, 0.0000587900000000, 0.0007509100000000 ] - [ 0.0000630900000000, -0.0000452900000000, -0.0001151400000000 ] - [ 0.0000185600000000, 0.0002591500000000, 0.0005890800000000 ] - [ -0.0000552500000000, -0.0000710000000000, 0.0004832500000000 ] - [ -0.0000051100000000, -0.0001446900000000, -0.0002258600000000 ] - [ -0.0000049900000000, -0.0005809700000000, -0.0006922500000000 ] - [ 0.0001570400000000, 0.0005867400000000, 0.0004007500000000 ] - [ -0.0006427900000000, -0.0005579700000000, -0.0157420900000000 ] - [ 0.0000774300000000, 0.0004874100000000, 0.0002423300000000 ] - [ 0.0015942600000000, -0.0004071300000000, 0.0023227400000000 ] - [ 0.0021801300000000, -0.0000922500000000, 0.0029636300000000 ] - [ 0.0002249500000000, 0.0003193800000000, 0.0003115100000000 ] - [ -0.0003816800000000, 0.0001757900000000, -0.0003533100000000 ] - [ -0.0001247800000000, -0.0005869600000000, -0.0001006000000000 ] - [ -0.0000393900000000, 0.0005883000000000, 0.0000606700000000 ] - [ -0.0000309800000000, -0.0004874500000000, -0.0000608000000000 ] - [ -0.0001455800000000, 0.0004862700000000, 0.0001113800000000 ] - [ -0.0003677600000000, -0.0002447900000000, -0.0003217900000000 ] - [ 0.0002433600000000, -0.0002508500000000, 0.0003425600000000 ] - [ 0.0002777900000000, 0.0002534100000000, 0.0003123600000000 ] - [ -0.0003337000000000, 0.0002452300000000, -0.0003527600000000 ] - [ 0.0000863100000000, 0.0003654900000000, -0.0001142700000000 ] - [ 0.0006278900000000, 0.0003963100000000, -0.0001400800000000 ] - [ 0.0002496400000000, -0.0003534600000000, -0.0000254200000000 ] - [ -0.0002832300000000, -0.0004257900000000, -0.0000126000000000 ] - [ 0.0001173100000000, 0.0005460000000000, 0.0002835900000000 ] - [ -0.0002499600000000, 0.0004944100000000, -0.0003661200000000 ] - [ -0.0002261000000000, -0.0004917300000000, -0.0003237800000000 ] - [ 0.0001461000000000, -0.0005520800000000, 0.0003133600000000 ] - [ -0.0002102300000000, 0.0002267300000000, -0.0002855400000000 ] - [ -0.0000621100000000, 0.0003246800000000, 0.0001511200000000 ] - [ 0.0001661300000000, -0.0003382900000000, 0.0001925300000000 ] - [ 0.0000395300000000, -0.0002208700000000, -0.0002568900000000 ] - [ 0.0002852000000000, 0.0019740200000000, 0.0015684300000000 ] - [ 0.0002636400000000, -0.0013491100000000, 0.0020576600000000 ] - [ -0.0001770100000000, -0.0003439100000000, 0.0001568900000000 ] - [ -0.0001997500000000, -0.0003129100000000, -0.0002432600000000 ] - [ -0.0000680500000000, -0.0000291400000000, 0.0005818900000000 ] - [ -0.0004178400000000, 0.0003570900000000, 0.0001025500000000 ] - [ 0.0009174400000000, 0.0037533600000000, 0.0026186600000000 ] - [ 0.0012509000000000, -0.0039901900000000, 0.0030527200000000 ] - [ 0.0010232400000000, -0.0013435800000000, 0.0001737200000000 ] - [ 0.0009624200000000, 0.0010041700000000, 0.0011095300000000 ] - [ -0.0001057300000000, 0.0002518500000000, 0.0002538700000000 ] - [ -0.0000273600000000, 0.0000944600000000, -0.0006865400000000 ] - [ -0.0002346600000000, 0.0004100900000000, 0.0000899200000000 ] - [ 0.0003115300000000, 0.0003620400000000, 0.0000811900000000 ] - [ -0.0024565500000000, -0.0018219700000000, -0.0004900800000000 ] - [ -0.0030187600000000, 0.0010618500000000, -0.0004767200000000 ] - [ 0.0000936300000000, 0.0004526300000000, 0.0003154800000000 ] - [ -0.0002985300000000, 0.0005935400000000, -0.0003207800000000 ] - [ -0.0000767500000000, -0.0006447200000000, -0.0002770400000000 ] - [ 0.0002930200000000, -0.0003984100000000, 0.0003795900000000 ] - [ -0.0001440000000000, 0.0002711500000000, -0.0003026300000000 ] - [ -0.0000030900000000, 0.0002825300000000, 0.0001391100000000 ] - [ 0.0002448300000000, -0.0001690600000000, 0.0003484400000000 ] - [ 0.0000995300000000, -0.0003757500000000, -0.0000798500000000 ] - [ -0.0000119500000000, 0.0003202300000000, -0.0002019100000000 ] - [ 0.0000002300000000, 0.0003460500000000, 0.0002064300000000 ] - [ 0.0001512100000000, -0.0002842800000000, 0.0001667900000000 ] - [ 0.0001393900000000, -0.0003796900000000, -0.0002557800000000 ] - [ 0.0001957600000000, 0.0001868900000000, 0.0002673700000000 ] - [ -0.0001714800000000, 0.0001521700000000, -0.0002173900000000 ] - [ -0.0001446600000000, -0.0001870900000000, -0.0002246400000000 ] - [ 0.0002021000000000, -0.0001425400000000, 0.0002517300000000 ] - [ 0.0000634800000000, -0.0002572800000000, -0.0003164300000000 ] - [ -0.0000114500000000, -0.0000987900000000, 0.0006208900000000 ] - [ -0.0000039700000000, 0.0002592000000000, 0.0002763300000000 ] - [ 0.0000556000000000, 0.0000928000000000, -0.0006474500000000 ]- atom: 29 displacement: [ 0.0099999862199687, 0.0000000000000000, 0.0000166012179150 ] forces: - [ -0.0002681700000000, 0.0005410700000000, -0.0002633000000000 ] - [ 0.0002444400000000, 0.0004700600000000, 0.0003305000000000 ] - [ 0.0004048300000000, -0.0004420200000000, 0.0002884800000000 ] - [ 0.0003119500000000, -0.0009063900000000, -0.0003643300000000 ] - [ -0.0000600300000000, -0.0001269000000000, 0.0004398900000000 ] - [ 0.0007280100000000, -0.0005017700000000, 0.0001212000000000 ] - [ 0.0003117100000000, 0.0001447400000000, -0.0009075900000000 ] - [ -0.0009712000000000, -0.0005738500000000, 0.0011347400000000 ] - [ 0.0000095800000000, 0.0001933700000000, -0.0002918600000000 ] - [ -0.0005807900000000, -0.0006410600000000, -0.0005851700000000 ] - [ 0.0002009000000000, -0.0002134100000000, 0.0004951900000000 ] - [ 0.0004022800000000, -0.0000496600000000, -0.0010696200000000 ] - [ -0.0003913700000000, 0.0004643500000000, -0.0002844000000000 ] - [ -0.0011880900000000, 0.0015437200000000, 0.0003238400000000 ] - [ 0.0003213800000000, -0.0004260700000000, 0.0002089400000000 ] - [ 0.0005813500000000, -0.0013014300000000, -0.0003680100000000 ] - [ -0.0002911500000000, -0.0000907600000000, 0.0008178300000000 ] - [ 0.0009980900000000, 0.0001632500000000, -0.0010423700000000 ] - [ 0.0002587600000000, -0.0001245100000000, -0.0002223300000000 ] - [ -0.0003632300000000, 0.0001087400000000, 0.0007857400000000 ] - [ -0.0000297800000000, 0.0000791200000000, -0.0004968900000000 ] - [ -0.0001242400000000, 0.0001092900000000, 0.0003512500000000 ] - [ -0.0000183700000000, -0.0001509300000000, 0.0003743300000000 ] - [ 0.0005096800000000, 0.0004901500000000, 0.0004847000000000 ] - [ -0.0002984700000000, -0.0004990300000000, 0.0000886800000000 ] - [ 0.0002655900000000, 0.0015070600000000, -0.0015951000000000 ] - [ 0.0002113300000000, -0.0005343100000000, 0.0018936500000000 ] - [ -0.0003021800000000, 0.0003988300000000, -0.0000871900000000 ] - [ -0.0178820900000000, 0.0026672200000000, 0.0014668800000000 ] - [ 0.0002116500000000, -0.0002783000000000, 0.0003028400000000 ] - [ 0.0003153400000000, 0.0001160200000000, 0.0003963000000000 ] - [ -0.0004600300000000, 0.0002220600000000, -0.0003661000000000 ] - [ 0.0003067500000000, -0.0006234200000000, 0.0000358900000000 ] - [ 0.0002954000000000, 0.0005696600000000, 0.0000762900000000 ] - [ 0.0002524700000000, -0.0004857300000000, -0.0000573200000000 ] - [ 0.0003033400000000, 0.0004615600000000, -0.0000203800000000 ] - [ -0.0000659100000000, -0.0002713200000000, -0.0003312900000000 ] - [ 0.0004420100000000, -0.0002315700000000, 0.0003575000000000 ] - [ 0.0013586900000000, 0.0001682900000000, 0.0002158700000000 ] - [ -0.0001686000000000, 0.0002703400000000, -0.0003024600000000 ] - [ -0.0002267200000000, 0.0003552300000000, 0.0000873800000000 ] - [ 0.0000049200000000, 0.0003998600000000, 0.0001547400000000 ] - [ 0.0002852900000000, -0.0003782600000000, 0.0000177300000000 ] - [ -0.0003224800000000, -0.0007206400000000, -0.0000098500000000 ] - [ 0.0001652500000000, 0.0005586900000000, 0.0003485900000000 ] - [ -0.0002393600000000, 0.0005307200000000, -0.0003420900000000 ] - [ 0.0034850800000000, -0.0029472600000000, 0.0011935000000000 ] - [ 0.0001471100000000, -0.0005507200000000, 0.0003060400000000 ] - [ -0.0001328000000000, 0.0003906700000000, 0.0019773700000000 ] - [ 0.0000508200000000, 0.0003694500000000, 0.0000781700000000 ] - [ 0.0000547700000000, -0.0002792700000000, 0.0002288400000000 ] - [ 0.0000175500000000, -0.0001485400000000, 0.0000338400000000 ] - [ 0.0001636400000000, 0.0003237300000000, -0.0001766200000000 ] - [ 0.0002832700000000, 0.0020616900000000, 0.0006379200000000 ] - [ 0.0000436000000000, -0.0003249400000000, 0.0002067600000000 ] - [ 0.0005744100000000, -0.0008187000000000, -0.0003557700000000 ] - [ 0.0039168400000000, -0.0032020600000000, -0.0011829500000000 ] - [ -0.0002287900000000, 0.0002389700000000, -0.0001109300000000 ] - [ 0.0012221000000000, -0.0026095300000000, 0.0011320500000000 ] - [ 0.0002860900000000, -0.0001439600000000, 0.0002590400000000 ] - [ 0.0003748200000000, -0.0014683400000000, -0.0022511200000000 ] - [ 0.0000858300000000, -0.0003179600000000, 0.0002471300000000 ] - [ -0.0000065500000000, 0.0000988200000000, 0.0005627800000000 ] - [ 0.0002144800000000, 0.0000545100000000, -0.0005140600000000 ] - [ -0.0003016300000000, 0.0003931500000000, -0.0000440600000000 ] - [ 0.0000228200000000, 0.0007949600000000, 0.0001067700000000 ] - [ 0.0002482000000000, -0.0003145300000000, -0.0001511300000000 ] - [ -0.0002219800000000, -0.0003996800000000, 0.0001111600000000 ] - [ 0.0063647500000000, 0.0057349100000000, -0.0038065700000000 ] - [ -0.0001807800000000, 0.0005408400000000, -0.0003232100000000 ] - [ -0.0003552100000000, -0.0004322800000000, -0.0003138500000000 ] - [ 0.0002309200000000, -0.0005166600000000, 0.0003816200000000 ] - [ -0.0000767800000000, 0.0002728000000000, -0.0002479200000000 ] - [ 0.0000637600000000, 0.0001171900000000, 0.0000639100000000 ] - [ 0.0001080900000000, -0.0002716300000000, 0.0002124000000000 ] - [ -0.0004479500000000, -0.0001615000000000, -0.0004830900000000 ] - [ -0.0001340700000000, 0.0003157100000000, -0.0002035900000000 ] - [ -0.0001951500000000, 0.0007316600000000, 0.0002988600000000 ] - [ 0.0000086700000000, -0.0003176600000000, 0.0002336200000000 ] - [ -0.0002802700000000, -0.0002469600000000, -0.0002104800000000 ] - [ 0.0000602500000000, 0.0001161400000000, 0.0001404100000000 ] - [ -0.0002608100000000, 0.0001869500000000, -0.0003018200000000 ] - [ -0.0002879500000000, -0.0001496100000000, -0.0003521800000000 ] - [ 0.0001174400000000, -0.0001904100000000, 0.0001761800000000 ] - [ -0.0000564000000000, -0.0000855700000000, -0.0005458900000000 ] - [ -0.0001024600000000, -0.0001052700000000, 0.0005627800000000 ] - [ -0.0002720800000000, 0.0000716900000000, 0.0002017600000000 ] - [ -0.0000523800000000, 0.0002271500000000, -0.0003689900000000 ]- atom: 29 displacement: [ -0.0099999862199687, 0.0000000000000000, -0.0000166012179150 ] forces: - [ -0.0003177300000000, 0.0003811100000000, -0.0001653900000000 ] - [ 0.0003331800000000, 0.0004555200000000, 0.0001158900000000 ] - [ 0.0001808700000000, -0.0004698100000000, 0.0001519000000000 ] - [ -0.0008932800000000, -0.0000175200000000, -0.0000721700000000 ] - [ -0.0005595900000000, -0.0001242000000000, 0.0011503500000000 ] - [ -0.0001128300000000, 0.0002494700000000, -0.0017071300000000 ] - [ 0.0003372200000000, 0.0001141100000000, -0.0006957000000000 ] - [ 0.0003274000000000, 0.0008281700000000, 0.0004801900000000 ] - [ 0.0000563900000000, 0.0000767000000000, -0.0003851800000000 ] - [ 0.0005116100000000, 0.0009257800000000, 0.0012509000000000 ] - [ -0.0002624200000000, -0.0000738500000000, 0.0001850800000000 ] - [ -0.0003482600000000, -0.0002321900000000, 0.0003972000000000 ] - [ -0.0002015400000000, 0.0004573500000000, -0.0001543100000000 ] - [ 0.0017623400000000, -0.0006430500000000, 0.0001193200000000 ] - [ 0.0002692100000000, -0.0004858400000000, 0.0002426600000000 ] - [ -0.0011694400000000, 0.0004090500000000, -0.0000578100000000 ] - [ -0.0003462200000000, -0.0001740000000000, 0.0007945500000000 ] - [ -0.0003391300000000, -0.0004389600000000, -0.0005482100000000 ] - [ 0.0003873400000000, 0.0003785100000000, -0.0013628000000000 ] - [ -0.0002793000000000, 0.0001354500000000, 0.0007852400000000 ] - [ 0.0001056800000000, 0.0001917700000000, -0.0001723500000000 ] - [ 0.0000453500000000, 0.0001646300000000, 0.0003288600000000 ] - [ -0.0000531100000000, -0.0001323000000000, 0.0002990100000000 ] - [ -0.0004286100000000, -0.0007580800000000, -0.0011618800000000 ] - [ 0.0002993700000000, -0.0006819600000000, -0.0000887300000000 ] - [ -0.0002623100000000, -0.0003320200000000, 0.0016020000000000 ] - [ -0.0002046600000000, -0.0004359200000000, -0.0019012400000000 ] - [ 0.0003013500000000, 0.0005714700000000, 0.0000850900000000 ] - [ 0.0172394000000000, -0.0033582700000000, -0.0020650600000000 ] - [ 0.0004082200000000, -0.0002371600000000, 0.0003373800000000 ] - [ 0.0003032200000000, 0.0003973200000000, 0.0002468900000000 ] - [ -0.0001592300000000, 0.0002937900000000, -0.0002780000000000 ] - [ -0.0003079800000000, -0.0005572200000000, -0.0000376700000000 ] - [ -0.0002980500000000, 0.0006137000000000, -0.0000769600000000 ] - [ -0.0002531000000000, -0.0004868600000000, 0.0000559800000000 ] - [ -0.0003043300000000, 0.0005094000000000, 0.0000209300000000 ] - [ -0.0005550600000000, -0.0002427800000000, -0.0003115300000000 ] - [ 0.0001791200000000, -0.0002839600000000, 0.0002852600000000 ] - [ -0.0007250900000000, 0.0003461500000000, 0.0004224100000000 ] - [ -0.0004537100000000, 0.0002452000000000, -0.0003430100000000 ] - [ -0.0002859700000000, 0.0003776800000000, -0.0000836900000000 ] - [ 0.0005134200000000, 0.0003444500000000, -0.0001576100000000 ] - [ 0.0002292700000000, -0.0003638100000000, -0.0000146200000000 ] - [ -0.0001853200000000, -0.0000278200000000, 0.0000042700000000 ] - [ 0.0002004100000000, 0.0004444100000000, 0.0002922000000000 ] - [ -0.0001287300000000, 0.0004906800000000, -0.0002973900000000 ] - [ -0.0037647700000000, 0.0018346700000000, -0.0018061800000000 ] - [ 0.0002306100000000, -0.0004633000000000, 0.0003280600000000 ] - [ -0.0000625500000000, 0.0001669700000000, -0.0024643600000000 ] - [ 0.0001256100000000, 0.0001861700000000, 0.0004070300000000 ] - [ 0.0001121800000000, -0.0002755400000000, 0.0002588900000000 ] - [ -0.0001814700000000, -0.0004211400000000, -0.0005216200000000 ] - [ -0.0002416800000000, 0.0003051300000000, -0.0002432100000000 ] - [ -0.0002627800000000, -0.0014741000000000, -0.0002168000000000 ] - [ 0.0000272500000000, -0.0002948800000000, 0.0002063100000000 ] - [ -0.0006504700000000, 0.0001819900000000, -0.0000630300000000 ] - [ -0.0036554200000000, 0.0036503900000000, 0.0017069000000000 ] - [ -0.0001420500000000, 0.0000892100000000, -0.0003837800000000 ] - [ -0.0015999000000000, 0.0023157600000000, -0.0016280800000000 ] - [ 0.0000944800000000, -0.0001911700000000, 0.0002360300000000 ] - [ -0.0003298900000000, 0.0011346600000000, 0.0013335600000000 ] - [ -0.0001445000000000, -0.0000478400000000, 0.0006589700000000 ] - [ -0.0000620600000000, 0.0002549500000000, 0.0003661100000000 ] - [ -0.0001481200000000, 0.0002991100000000, -0.0004119800000000 ] - [ -0.0002192300000000, 0.0003554200000000, 0.0000326300000000 ] - [ 0.0004888800000000, -0.0000494800000000, -0.0001088200000000 ] - [ 0.0002782800000000, -0.0004302700000000, 0.0001514800000000 ] - [ -0.0002941200000000, -0.0003264700000000, -0.0001085500000000 ] - [ -0.0058561100000000, -0.0045443400000000, 0.0043310700000000 ] - [ -0.0002026400000000, 0.0004758300000000, -0.0003104400000000 ] - [ -0.0000176800000000, -0.0005818100000000, -0.0003272100000000 ] - [ 0.0001429100000000, -0.0004922600000000, 0.0002659800000000 ] - [ -0.0000932200000000, 0.0002868900000000, -0.0002446600000000 ] - [ 0.0001150400000000, 0.0004407500000000, 0.0004197300000000 ] - [ 0.0000651000000000, -0.0002801300000000, 0.0002630800000000 ] - [ 0.0002637500000000, -0.0003939800000000, 0.0000027500000000 ] - [ 0.0000528000000000, 0.0003100000000000, -0.0002171000000000 ] - [ 0.0002656600000000, -0.0001027400000000, 0.0001157800000000 ] - [ 0.0000656000000000, -0.0003105300000000, 0.0001974800000000 ] - [ 0.0002101200000000, -0.0003818100000000, -0.0002126300000000 ] - [ 0.0003129700000000, 0.0002135100000000, 0.0003530900000000 ] - [ -0.0001240400000000, 0.0001473500000000, -0.0001918900000000 ] - [ -0.0000825200000000, -0.0001788000000000, -0.0001405900000000 ] - [ 0.0002476200000000, -0.0001349700000000, 0.0003082800000000 ] - [ 0.0001161300000000, -0.0002725100000000, -0.0003762200000000 ] - [ 0.0000314600000000, -0.0002554200000000, 0.0003669200000000 ] - [ 0.0002202400000000, 0.0002803200000000, 0.0007091100000000 ] - [ 0.0001131300000000, 0.0001301200000000, -0.0005572000000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002905600000000, 0.0005430600000000, -0.0002460400000000 ] - [ 0.0002582500000000, 0.0004831400000000, 0.0002401300000000 ] - [ 0.0003121200000000, -0.0004866100000000, 0.0002150200000000 ] - [ -0.0007859100000000, -0.0002718600000000, -0.0000922200000000 ] - [ -0.0003059400000000, -0.0004557200000000, 0.0011503000000000 ] - [ 0.0005889500000000, -0.0001137900000000, -0.0003426700000000 ] - [ 0.0002974200000000, 0.0001130800000000, -0.0007984000000000 ] - [ -0.0002107700000000, 0.0012244400000000, 0.0000670900000000 ] - [ 0.0000415200000000, 0.0001739900000000, -0.0003707400000000 ] - [ 0.0002195600000000, 0.0009833600000000, 0.0013502600000000 ] - [ -0.0001755600000000, -0.0004101100000000, 0.0001710900000000 ] - [ 0.0002350100000000, 0.0000580700000000, -0.0005884100000000 ] - [ -0.0003298300000000, 0.0005104500000000, -0.0002340200000000 ] - [ -0.0007500800000000, 0.0027816600000000, 0.0001308500000000 ] - [ 0.0003756100000000, -0.0003695300000000, 0.0001291100000000 ] - [ -0.0004767300000000, -0.0011215200000000, -0.0004769600000000 ] - [ -0.0003157400000000, -0.0001551100000000, 0.0007694100000000 ] - [ 0.0003090000000000, -0.0001050100000000, -0.0010293300000000 ] - [ 0.0002554300000000, 0.0002595500000000, -0.0006220300000000 ] - [ -0.0003073600000000, 0.0001414700000000, 0.0007713700000000 ] - [ 0.0000986000000000, 0.0001194200000000, -0.0003286500000000 ] - [ -0.0000715200000000, 0.0001762600000000, 0.0003485700000000 ] - [ -0.0000339400000000, -0.0001066500000000, 0.0003282100000000 ] - [ 0.0008291900000000, -0.0002434100000000, 0.0002403300000000 ] - [ 0.0001517300000000, -0.0003202900000000, 0.0000982300000000 ] - [ 0.0009449500000000, 0.0005586400000000, -0.0011134200000000 ] - [ -0.0000088800000000, -0.0012196200000000, -0.0001552100000000 ] - [ 0.0000096200000000, 0.0007109800000000, 0.0000714000000000 ] - [ 0.0026809100000000, -0.0171854600000000, 0.0002397900000000 ] - [ 0.0003283100000000, -0.0002772300000000, 0.0003325300000000 ] - [ 0.0001671400000000, 0.0005197200000000, 0.0003412700000000 ] - [ -0.0002743100000000, 0.0002937100000000, -0.0003358300000000 ] - [ -0.0000153600000000, -0.0006030100000000, -0.0000077300000000 ] - [ -0.0000034700000000, 0.0006021600000000, -0.0000014400000000 ] - [ -0.0000190500000000, -0.0004714000000000, 0.0000019900000000 ] - [ -0.0000119100000000, 0.0004487000000000, 0.0000027700000000 ] - [ -0.0003241300000000, -0.0002269200000000, -0.0003322800000000 ] - [ 0.0002861700000000, -0.0002306200000000, 0.0003374200000000 ] - [ 0.0002212200000000, 0.0000750400000000, 0.0003466500000000 ] - [ -0.0003235700000000, 0.0002362600000000, -0.0003267100000000 ] - [ -0.0002620700000000, 0.0003545600000000, -0.0000386600000000 ] - [ 0.0001697000000000, 0.0003868900000000, 0.0000235600000000 ] - [ 0.0002643900000000, -0.0003768100000000, -0.0000101800000000 ] - [ -0.0003659500000000, -0.0005103600000000, 0.0001324800000000 ] - [ 0.0002127600000000, 0.0005214300000000, 0.0003303300000000 ] - [ -0.0002085800000000, 0.0006408600000000, -0.0003951700000000 ] - [ -0.0036784800000000, 0.0004545900000000, -0.0016499700000000 ] - [ 0.0002021100000000, -0.0005443000000000, 0.0003264600000000 ] - [ -0.0000482800000000, -0.0004777100000000, 0.0003001700000000 ] - [ 0.0000722900000000, 0.0002092800000000, 0.0002618100000000 ] - [ 0.0000698400000000, -0.0002610400000000, 0.0002397600000000 ] - [ -0.0000866100000000, -0.0003250800000000, -0.0003339000000000 ] - [ 0.0000061300000000, 0.0003631900000000, -0.0002469500000000 ] - [ 0.0002330400000000, 0.0006470200000000, 0.0002133200000000 ] - [ -0.0000218800000000, -0.0003389100000000, 0.0001970100000000 ] - [ 0.0011385900000000, -0.0009235800000000, -0.0006130100000000 ] - [ -0.0031110200000000, 0.0029030000000000, 0.0011950900000000 ] - [ -0.0001473700000000, 0.0001362800000000, -0.0002449100000000 ] - [ -0.0029634500000000, 0.0048243800000000, -0.0026407500000000 ] - [ 0.0001360400000000, -0.0001563800000000, 0.0002053300000000 ] - [ -0.0012642400000000, 0.0026988200000000, 0.0045908300000000 ] - [ -0.0000425400000000, -0.0002176600000000, 0.0004463200000000 ] - [ -0.0001069700000000, 0.0001419900000000, 0.0004408900000000 ] - [ 0.0002141200000000, 0.0000612500000000, -0.0003666600000000 ] - [ -0.0002712800000000, 0.0004011700000000, 0.0000230900000000 ] - [ 0.0000577900000000, 0.0003888600000000, 0.0010823700000000 ] - [ 0.0001914300000000, -0.0003635600000000, -0.0000269000000000 ] - [ -0.0002821800000000, -0.0004016800000000, -0.0000336700000000 ] - [ 0.0062631400000000, 0.0036225600000000, -0.0031903600000000 ] - [ -0.0001976700000000, 0.0005088700000000, -0.0003130200000000 ] - [ -0.0001527600000000, -0.0004270300000000, -0.0003123600000000 ] - [ 0.0002046500000000, -0.0004702600000000, 0.0003238600000000 ] - [ -0.0000660500000000, 0.0002806800000000, -0.0002070400000000 ] - [ 0.0000480800000000, 0.0002278700000000, 0.0000653600000000 ] - [ 0.0001140500000000, -0.0002980100000000, 0.0002396900000000 ] - [ -0.0002083400000000, -0.0002477700000000, -0.0002720400000000 ] - [ 0.0000149200000000, 0.0003371900000000, -0.0002118400000000 ] - [ 0.0001313100000000, 0.0000668600000000, 0.0001822100000000 ] - [ 0.0000026200000000, -0.0003174000000000, 0.0002111700000000 ] - [ 0.0000305500000000, -0.0003321600000000, -0.0001980300000000 ] - [ 0.0002327400000000, 0.0002640800000000, 0.0002650200000000 ] - [ -0.0001765100000000, 0.0001638200000000, -0.0002440800000000 ] - [ -0.0001555000000000, -0.0001794000000000, -0.0002319800000000 ] - [ 0.0001700400000000, -0.0001745500000000, 0.0002533200000000 ] - [ 0.0000377400000000, -0.0001881200000000, -0.0004316700000000 ] - [ 0.0000118900000000, -0.0001266200000000, 0.0005110200000000 ] - [ -0.0000185100000000, 0.0002557700000000, 0.0003501700000000 ] - [ 0.0000302000000000, 0.0001578800000000, -0.0004791800000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003709500000000, 0.0004335900000000, -0.0001795400000000 ] - [ 0.0003810700000000, 0.0005087900000000, 0.0002535800000000 ] - [ 0.0003503500000000, -0.0004652200000000, 0.0002428200000000 ] - [ 0.0001487500000000, -0.0007319300000000, -0.0003719200000000 ] - [ -0.0002643100000000, 0.0002575700000000, 0.0003602600000000 ] - [ -0.0000068900000000, -0.0000912000000000, -0.0011639100000000 ] - [ 0.0003141700000000, 0.0001073200000000, -0.0007346100000000 ] - [ -0.0003849400000000, -0.0010142600000000, 0.0015037800000000 ] - [ -0.0000147300000000, 0.0000358500000000, -0.0003489300000000 ] - [ -0.0002345600000000, -0.0007658300000000, -0.0006751700000000 ] - [ 0.0001461100000000, 0.0001704600000000, 0.0005563100000000 ] - [ -0.0002215000000000, -0.0002714900000000, -0.0000997100000000 ] - [ -0.0003463900000000, 0.0004798300000000, -0.0002385500000000 ] - [ 0.0014079300000000, -0.0018227300000000, 0.0003093900000000 ] - [ 0.0002775900000000, -0.0005919100000000, 0.0003701900000000 ] - [ -0.0001796000000000, 0.0001695700000000, 0.0000444600000000 ] - [ -0.0002890600000000, -0.0000600800000000, 0.0007755900000000 ] - [ 0.0003331700000000, -0.0001361200000000, -0.0004861900000000 ] - [ 0.0003664600000000, -0.0000448900000000, -0.0008914100000000 ] - [ -0.0002989400000000, 0.0000497400000000, 0.0007088000000000 ] - [ -0.0000547800000000, 0.0000752400000000, -0.0003514700000000 ] - [ 0.0000141700000000, 0.0000433600000000, 0.0003797300000000 ] - [ -0.0000043700000000, -0.0001118200000000, 0.0003648100000000 ] - [ -0.0007629500000000, 0.0000323800000000, -0.0009654900000000 ] - [ -0.0001571700000000, -0.0008533100000000, -0.0001021400000000 ] - [ -0.0009488500000000, 0.0006237100000000, 0.0011105200000000 ] - [ 0.0000162900000000, 0.0002463100000000, 0.0001625900000000 ] - [ -0.0000152500000000, 0.0002619200000000, -0.0000735400000000 ] - [ -0.0033344600000000, 0.0164518300000000, -0.0006740900000000 ] - [ 0.0002794300000000, -0.0002262700000000, 0.0003257300000000 ] - [ 0.0004358900000000, -0.0000216700000000, 0.0003196100000000 ] - [ -0.0003339700000000, 0.0002044300000000, -0.0003288300000000 ] - [ 0.0000156800000000, -0.0005705700000000, 0.0000048600000000 ] - [ 0.0000004000000000, 0.0005733200000000, -0.0000000900000000 ] - [ 0.0000175500000000, -0.0005032700000000, -0.0000035900000000 ] - [ 0.0000131100000000, 0.0005235000000000, -0.0000042600000000 ] - [ -0.0002839700000000, -0.0002719600000000, -0.0003312900000000 ] - [ 0.0003261700000000, -0.0002684700000000, 0.0003238800000000 ] - [ 0.0003885600000000, 0.0004267600000000, 0.0003129100000000 ] - [ -0.0002876700000000, 0.0002642900000000, -0.0003396600000000 ] - [ -0.0002699800000000, 0.0003930800000000, 0.0000651000000000 ] - [ 0.0003779300000000, 0.0003918900000000, -0.0000521600000000 ] - [ 0.0002765800000000, -0.0003876200000000, -0.0000117300000000 ] - [ -0.0001583700000000, -0.0002801700000000, -0.0001209600000000 ] - [ 0.0001485400000000, 0.0004986300000000, 0.0003213300000000 ] - [ -0.0001551900000000, 0.0004244900000000, -0.0002521100000000 ] - [ 0.0034033000000000, -0.0015406200000000, 0.0010254300000000 ] - [ 0.0001751700000000, -0.0005140700000000, 0.0003149300000000 ] - [ -0.0001090200000000, 0.0010317800000000, -0.0007567500000000 ] - [ 0.0000654500000000, 0.0003422300000000, 0.0001625700000000 ] - [ 0.0000606400000000, -0.0002815500000000, 0.0002028600000000 ] - [ -0.0000289400000000, -0.0002533400000000, -0.0001069200000000 ] - [ -0.0000150300000000, 0.0003151200000000, -0.0001607800000000 ] - [ -0.0002204000000000, 0.0000325900000000, 0.0002268500000000 ] - [ 0.0000180700000000, -0.0003127200000000, 0.0001992300000000 ] - [ -0.0011817000000000, 0.0002345600000000, 0.0002083500000000 ] - [ 0.0033855300000000, -0.0025251300000000, -0.0007120200000000 ] - [ -0.0002002100000000, 0.0001955300000000, -0.0002384000000000 ] - [ 0.0025083600000000, -0.0049872500000000, 0.0020868600000000 ] - [ 0.0002353200000000, -0.0001915300000000, 0.0002834000000000 ] - [ 0.0013623400000000, -0.0030408600000000, -0.0056410600000000 ] - [ -0.0000195100000000, -0.0001585100000000, 0.0004408600000000 ] - [ 0.0000278900000000, 0.0002043800000000, 0.0004966300000000 ] - [ -0.0001386600000000, 0.0002845900000000, -0.0005728700000000 ] - [ -0.0002818200000000, 0.0003821400000000, -0.0000227400000000 ] - [ 0.0004866600000000, 0.0003858900000000, -0.0010917100000000 ] - [ 0.0003720300000000, -0.0004161500000000, -0.0000028800000000 ] - [ -0.0002561200000000, -0.0003397000000000, 0.0000625400000000 ] - [ -0.0057693200000000, -0.0024842400000000, 0.0037605000000000 ] - [ -0.0001918400000000, 0.0005316700000000, -0.0003280200000000 ] - [ -0.0002174200000000, -0.0006257200000000, -0.0003371700000000 ] - [ 0.0001627100000000, -0.0005665700000000, 0.0003401800000000 ] - [ -0.0000623000000000, 0.0002764200000000, -0.0002302100000000 ] - [ 0.0001014500000000, 0.0003209900000000, 0.0003636000000000 ] - [ 0.0000138900000000, -0.0002453200000000, 0.0001674400000000 ] - [ 0.0000449600000000, -0.0002999000000000, -0.0001644900000000 ] - [ -0.0000395800000000, 0.0003330700000000, -0.0002063400000000 ] - [ -0.0001493500000000, 0.0006064000000000, 0.0002187800000000 ] - [ 0.0000063300000000, -0.0003543000000000, 0.0002252000000000 ] - [ -0.0000285100000000, -0.0003377000000000, -0.0002146000000000 ] - [ 0.0001211400000000, 0.0000711800000000, 0.0002199900000000 ] - [ -0.0001978000000000, 0.0001791800000000, -0.0002404400000000 ] - [ -0.0001978300000000, -0.0001561700000000, -0.0002550800000000 ] - [ 0.0001644800000000, -0.0001515300000000, 0.0002142200000000 ] - [ 0.0000224700000000, -0.0001699900000000, -0.0004876900000000 ] - [ -0.0000961300000000, -0.0002285200000000, 0.0004350200000000 ] - [ -0.0000313400000000, 0.0001021000000000, 0.0005551300000000 ] - [ 0.0000376000000000, 0.0001945000000000, -0.0004553100000000 ]- atom: 29 displacement: [ -0.0002562758177658, 0.0000000000000000, 0.0099967155958959 ] forces: - [ -0.0002669400000000, 0.0004677700000000, -0.0003980900000000 ] - [ 0.0002285100000000, 0.0003704100000000, 0.0002878900000000 ] - [ 0.0002531500000000, -0.0004215900000000, 0.0001865000000000 ] - [ -0.0000505200000000, -0.0007143800000000, 0.0001353700000000 ] - [ -0.0004029100000000, -0.0000709900000000, 0.0016937000000000 ] - [ 0.0002736200000000, -0.0000488400000000, -0.0009170100000000 ] - [ 0.0003335600000000, 0.0001437000000000, -0.0008007300000000 ] - [ -0.0001359800000000, 0.0002647200000000, 0.0007197800000000 ] - [ 0.0000357900000000, 0.0002185800000000, -0.0002520900000000 ] - [ -0.0000676000000000, 0.0007917100000000, -0.0003677100000000 ] - [ 0.0001790100000000, -0.0009847200000000, 0.0008626100000000 ] - [ 0.0002431900000000, -0.0000750500000000, -0.0005574400000000 ] - [ -0.0002165000000000, 0.0004074700000000, -0.0002520900000000 ] - [ 0.0005136100000000, -0.0000994700000000, -0.0002130000000000 ] - [ 0.0003157300000000, -0.0001621100000000, 0.0006036600000000 ] - [ -0.0003216700000000, -0.0009086200000000, -0.0001787200000000 ] - [ -0.0003057700000000, -0.0001677300000000, 0.0008479900000000 ] - [ 0.0001897100000000, -0.0001777400000000, -0.0002637400000000 ] - [ 0.0016226500000000, 0.0003615300000000, -0.0004702500000000 ] - [ -0.0004480400000000, 0.0001760700000000, 0.0008242200000000 ] - [ -0.0002098200000000, 0.0002285400000000, -0.0005345100000000 ] - [ 0.0000499900000000, 0.0002107200000000, 0.0002950800000000 ] - [ -0.0000606700000000, -0.0001773600000000, 0.0003254800000000 ] - [ 0.0003205200000000, 0.0000274000000000, -0.0011125700000000 ] - [ 0.0001552000000000, -0.0003953000000000, 0.0001469000000000 ] - [ -0.0016289500000000, -0.0006237400000000, 0.0015762400000000 ] - [ 0.0019743300000000, -0.0007436300000000, 0.0026367000000000 ] - [ -0.0000709000000000, 0.0004858800000000, -0.0000205200000000 ] - [ 0.0018955900000000, 0.0001773300000000, -0.0226673300000000 ] - [ 0.0002885400000000, -0.0002632000000000, 0.0004140700000000 ] - [ 0.0003795600000000, 0.0002749600000000, 0.0002892200000000 ] - [ -0.0003437600000000, 0.0002673400000000, -0.0002145600000000 ] - [ -0.0000049500000000, -0.0005916100000000, 0.0000327200000000 ] - [ 0.0000055500000000, 0.0006202900000000, -0.0000115300000000 ] - [ -0.0000167800000000, -0.0004803800000000, 0.0000114600000000 ] - [ 0.0000365400000000, 0.0004607300000000, -0.0000164300000000 ] - [ -0.0003193200000000, -0.0002614500000000, -0.0003109600000000 ] - [ 0.0003374900000000, -0.0002695700000000, 0.0003070100000000 ] - [ 0.0001733700000000, 0.0002801900000000, 0.0001785500000000 ] - [ -0.0002861400000000, 0.0002539000000000, -0.0003129800000000 ] - [ -0.0001718300000000, 0.0003237100000000, -0.0000011300000000 ] - [ 0.0001115800000000, 0.0003649800000000, 0.0000519000000000 ] - [ 0.0002502100000000, -0.0003578900000000, 0.0000138900000000 ] - [ -0.0002621100000000, -0.0002176000000000, -0.0000283200000000 ] - [ 0.0001903500000000, 0.0005077800000000, 0.0003204300000000 ] - [ -0.0002666900000000, 0.0006620400000000, -0.0005426900000000 ] - [ 0.0007659100000000, -0.0012937800000000, -0.0006166500000000 ] - [ 0.0001826500000000, -0.0004807900000000, 0.0003107900000000 ] - [ 0.0008799600000000, 0.0006125700000000, 0.0067287000000000 ] - [ 0.0002198300000000, 0.0002119400000000, 0.0003318100000000 ] - [ 0.0000849500000000, -0.0002958800000000, 0.0002515800000000 ] - [ -0.0001481500000000, -0.0003766400000000, -0.0001396200000000 ] - [ -0.0000664400000000, 0.0003160200000000, -0.0002594300000000 ] - [ 0.0001947500000000, 0.0002609100000000, 0.0007367800000000 ] - [ 0.0000779500000000, -0.0002662400000000, 0.0001846000000000 ] - [ -0.0002653500000000, 0.0001817400000000, -0.0002403700000000 ] - [ -0.0012071500000000, 0.0016076100000000, 0.0008099200000000 ] - [ -0.0003830700000000, 0.0002997600000000, -0.0001040900000000 ] - [ 0.0012502900000000, -0.0024465700000000, 0.0007508800000000 ] - [ 0.0001397100000000, -0.0000988900000000, 0.0001046000000000 ] - [ -0.0018039300000000, 0.0045209000000000, 0.0073682400000000 ] - [ -0.0002062200000000, -0.0002594400000000, 0.0004334600000000 ] - [ 0.0001324700000000, 0.0002348200000000, 0.0004918600000000 ] - [ -0.0002492300000000, 0.0003876400000000, -0.0005138600000000 ] - [ -0.0002426500000000, 0.0003559600000000, -0.0000035100000000 ] - [ 0.0000865300000000, 0.0003257600000000, 0.0005190200000000 ] - [ 0.0004823900000000, -0.0007124400000000, -0.0002403900000000 ] - [ -0.0003095300000000, -0.0003557100000000, 0.0000589400000000 ] - [ -0.0035469000000000, -0.0023512900000000, 0.0011290700000000 ] - [ -0.0001880100000000, 0.0004876500000000, -0.0003141800000000 ] - [ -0.0001818800000000, -0.0004302900000000, -0.0003266000000000 ] - [ 0.0002103000000000, -0.0004074300000000, 0.0003357800000000 ] - [ -0.0001077600000000, 0.0002839500000000, -0.0002814700000000 ] - [ 0.0002319200000000, 0.0004202600000000, 0.0004926500000000 ] - [ -0.0000342000000000, -0.0002930600000000, 0.0001379000000000 ] - [ -0.0000531400000000, -0.0002901500000000, -0.0002553200000000 ] - [ -0.0000898100000000, 0.0002743700000000, -0.0002214600000000 ] - [ 0.0000082800000000, 0.0004047500000000, 0.0002830800000000 ] - [ -0.0001672400000000, -0.0003438800000000, -0.0000389800000000 ] - [ -0.0000808800000000, -0.0002863700000000, -0.0001966200000000 ] - [ 0.0001814500000000, 0.0001349700000000, 0.0001911400000000 ] - [ -0.0001917600000000, 0.0001712200000000, -0.0002720500000000 ] - [ -0.0001762500000000, -0.0001377900000000, -0.0002312500000000 ] - [ 0.0001565000000000, -0.0001285900000000, 0.0002961600000000 ] - [ 0.0000300900000000, -0.0001914200000000, -0.0004609100000000 ] - [ -0.0000978000000000, -0.0002803900000000, 0.0004066200000000 ] - [ -0.0000336100000000, -0.0000711700000000, 0.0005010300000000 ] - [ 0.0000155700000000, 0.0001706100000000, -0.0004548000000000 ]- atom: 29 displacement: [ 0.0002562758177658, 0.0000000000000000, -0.0099967155958959 ] forces: - [ -0.0003156900000000, 0.0004520000000000, -0.0000325400000000 ] - [ 0.0003396300000000, 0.0005471100000000, 0.0001593400000000 ] - [ 0.0003273900000000, -0.0004873200000000, 0.0002528400000000 ] - [ -0.0005247400000000, -0.0002102100000000, -0.0005781300000000 ] - [ -0.0002267600000000, -0.0002051200000000, -0.0001069500000000 ] - [ 0.0003534900000000, -0.0002036400000000, -0.0006651500000000 ] - [ 0.0003149400000000, 0.0001170400000000, -0.0008083800000000 ] - [ -0.0005078200000000, -0.0000002000000000, 0.0008905100000000 ] - [ 0.0000321200000000, 0.0000611400000000, -0.0004215100000000 ] - [ -0.0000074800000000, -0.0005104700000000, 0.0010402100000000 ] - [ -0.0002356900000000, 0.0006896800000000, -0.0001719700000000 ] - [ -0.0001816400000000, -0.0002116400000000, -0.0001153300000000 ] - [ -0.0003674500000000, 0.0005057000000000, -0.0001879800000000 ] - [ 0.0000622900000000, 0.0010028800000000, 0.0006490300000000 ] - [ 0.0002772200000000, -0.0007555800000000, -0.0001506900000000 ] - [ -0.0002575300000000, -0.0000045700000000, -0.0002513800000000 ] - [ -0.0003350900000000, -0.0000968800000000, 0.0007642000000000 ] - [ 0.0004649400000000, -0.0000868400000000, -0.0013336300000000 ] - [ -0.0009664200000000, -0.0001041700000000, -0.0011104600000000 ] - [ -0.0001960100000000, 0.0000712700000000, 0.0007539600000000 ] - [ 0.0002909200000000, 0.0000498900000000, -0.0001322400000000 ] - [ -0.0001282400000000, 0.0000721500000000, 0.0003817200000000 ] - [ -0.0000138200000000, -0.0001137100000000, 0.0003443200000000 ] - [ -0.0002410200000000, -0.0003089400000000, 0.0004352600000000 ] - [ -0.0001569300000000, -0.0007878700000000, -0.0001472200000000 ] - [ 0.0016070900000000, 0.0017915200000000, -0.0015670500000000 ] - [ -0.0020013700000000, -0.0002237000000000, -0.0026608000000000 ] - [ 0.0000680500000000, 0.0004843400000000, 0.0000181400000000 ] - [ -0.0026208800000000, -0.0005671800000000, 0.0219927900000000 ] - [ 0.0003264700000000, -0.0002505900000000, 0.0002267600000000 ] - [ 0.0002372100000000, 0.0002362900000000, 0.0003550300000000 ] - [ -0.0002734600000000, 0.0002471400000000, -0.0004304400000000 ] - [ 0.0000047400000000, -0.0005894600000000, -0.0000336400000000 ] - [ -0.0000079400000000, 0.0005644700000000, 0.0000107300000000 ] - [ 0.0000173200000000, -0.0004919900000000, -0.0000126500000000 ] - [ -0.0000365800000000, 0.0005102100000000, 0.0000154600000000 ] - [ -0.0002981600000000, -0.0002506500000000, -0.0003330600000000 ] - [ 0.0002821600000000, -0.0002440900000000, 0.0003371800000000 ] - [ 0.0004438000000000, 0.0002341300000000, 0.0004634900000000 ] - [ -0.0003323900000000, 0.0002597400000000, -0.0003338200000000 ] - [ -0.0003415000000000, 0.0004117600000000, 0.0000069400000000 ] - [ 0.0004048200000000, 0.0003794900000000, -0.0000551500000000 ] - [ 0.0002635400000000, -0.0003831000000000, -0.0000112800000000 ] - [ -0.0002462700000000, -0.0005324300000000, 0.0000229700000000 ] - [ 0.0001762900000000, 0.0004968700000000, 0.0003221400000000 ] - [ -0.0001013000000000, 0.0003587700000000, -0.0000995800000000 ] - [ -0.0011447500000000, 0.0002882500000000, -0.0000319400000000 ] - [ 0.0001934200000000, -0.0005297600000000, 0.0003240800000000 ] - [ -0.0009923400000000, -0.0000314700000000, -0.0069445200000000 ] - [ -0.0000418900000000, 0.0003440500000000, 0.0001558200000000 ] - [ 0.0000853200000000, -0.0002597500000000, 0.0002389300000000 ] - [ -0.0000179400000000, -0.0001931000000000, -0.0003497100000000 ] - [ -0.0000104100000000, 0.0003117800000000, -0.0001597400000000 ] - [ -0.0001104600000000, 0.0003714000000000, -0.0003021100000000 ] - [ -0.0000041500000000, -0.0003527000000000, 0.0002300000000000 ] - [ 0.0001901500000000, -0.0008138100000000, -0.0001771700000000 ] - [ 0.0015699700000000, -0.0012760700000000, -0.0003326300000000 ] - [ 0.0000107800000000, 0.0000306000000000, -0.0003891000000000 ] - [ -0.0016383000000000, 0.0021556400000000, -0.0012369200000000 ] - [ 0.0002369200000000, -0.0002357600000000, 0.0003873700000000 ] - [ 0.0019526200000000, -0.0050500200000000, -0.0085451100000000 ] - [ 0.0001476100000000, -0.0001058200000000, 0.0004712800000000 ] - [ -0.0002017400000000, 0.0001213100000000, 0.0004348600000000 ] - [ 0.0003173100000000, -0.0000293700000000, -0.0004124500000000 ] - [ -0.0002779400000000, 0.0003916000000000, -0.0000057600000000 ] - [ 0.0004284700000000, 0.0004193700000000, -0.0005192700000000 ] - [ 0.0000385100000000, -0.0000188100000000, 0.0002468100000000 ] - [ -0.0002054100000000, -0.0003723200000000, -0.0000558000000000 ] - [ 0.0039502700000000, 0.0033905500000000, -0.0004799200000000 ] - [ -0.0001931800000000, 0.0005274300000000, -0.0003219300000000 ] - [ -0.0001924100000000, -0.0005786800000000, -0.0003141700000000 ] - [ 0.0001643000000000, -0.0006008300000000, 0.0003117300000000 ] - [ -0.0000647600000000, 0.0002759000000000, -0.0002119500000000 ] - [ -0.0000510600000000, 0.0001377800000000, -0.0000050600000000 ] - [ 0.0002085700000000, -0.0002601300000000, 0.0003396400000000 ] - [ -0.0001349100000000, -0.0002658200000000, -0.0002288400000000 ] - [ 0.0000071300000000, 0.0003503200000000, -0.0002000200000000 ] - [ 0.0000631600000000, 0.0002229000000000, 0.0001327300000000 ] - [ 0.0002391600000000, -0.0002827000000000, 0.0004691400000000 ] - [ 0.0000078900000000, -0.0003408000000000, -0.0002270500000000 ] - [ 0.0001894200000000, 0.0001936800000000, 0.0003003300000000 ] - [ -0.0001894800000000, 0.0001620000000000, -0.0002191500000000 ] - [ -0.0001915000000000, -0.0001902000000000, -0.0002593600000000 ] - [ 0.0002066800000000, -0.0001967700000000, 0.0001860600000000 ] - [ 0.0000316100000000, -0.0001678700000000, -0.0004591900000000 ] - [ 0.0000248400000000, -0.0000813200000000, 0.0005224500000000 ] - [ -0.0000217300000000, 0.0004270000000000, 0.0004147300000000 ] - [ 0.0000480200000000, 0.0001890800000000, -0.0004690900000000 ]- atom: 41 displacement: [ 0.0099999862199687, 0.0000000000000000, 0.0000166012179150 ] forces: - [ 0.0040103300000000, 0.0052060300000000, 0.0015305400000000 ] - [ 0.0003068100000000, 0.0005414400000000, 0.0002680500000000 ] - [ 0.0001436000000000, -0.0003875900000000, 0.0008848000000000 ] - [ -0.0005384000000000, -0.0005296000000000, -0.0001952800000000 ] - [ 0.0016767000000000, -0.0010864200000000, 0.0005735700000000 ] - [ 0.0003442200000000, -0.0000168500000000, -0.0006795200000000 ] - [ 0.0002563800000000, 0.0001522900000000, -0.0008582700000000 ] - [ 0.0002932100000000, 0.0006442300000000, 0.0001968000000000 ] - [ -0.0000055200000000, 0.0000377600000000, -0.0004034600000000 ] - [ 0.0004902100000000, 0.0002037800000000, 0.0008968600000000 ] - [ 0.0638350700000000, -0.0074239800000000, -0.0301552400000000 ] - [ -0.0000507700000000, -0.0001419400000000, -0.0003423600000000 ] - [ -0.0003521700000000, 0.0005072200000000, -0.0001308700000000 ] - [ 0.0002482100000000, 0.0003531600000000, 0.0000754800000000 ] - [ 0.0017779900000000, -0.0009671600000000, -0.0021191100000000 ] - [ -0.0003249700000000, -0.0004803300000000, -0.0002346600000000 ] - [ -0.0002407200000000, -0.0000957100000000, 0.0007851600000000 ] - [ 0.0000981500000000, -0.0001626600000000, -0.0007785600000000 ] - [ 0.0134055300000000, -0.0151057200000000, -0.0031699200000000 ] - [ -0.0003125000000000, 0.0000852300000000, 0.0007651800000000 ] - [ -0.0000141200000000, -0.0013952800000000, -0.0006651900000000 ] - [ -0.0000588300000000, 0.0000844600000000, 0.0003694800000000 ] - [ 0.0000001500000000, -0.0001900600000000, 0.0002387900000000 ] - [ 0.0002918700000000, 0.0003423600000000, -0.0000951500000000 ] - [ -0.0000207000000000, -0.0007489400000000, 0.0001299000000000 ] - [ 0.0000460400000000, 0.0005807600000000, -0.0001603500000000 ] - [ -0.0001072900000000, -0.0002661500000000, 0.0003498700000000 ] - [ 0.0000781400000000, 0.0005321000000000, -0.0000204100000000 ] - [ -0.0002631600000000, -0.0002403500000000, -0.0002632300000000 ] - [ 0.0000305400000000, -0.0001445300000000, 0.0001951500000000 ] - [ 0.0003143700000000, 0.0002393500000000, 0.0003423800000000 ] - [ -0.0003626000000000, 0.0003490500000000, -0.0003513600000000 ] - [ 0.0000458200000000, -0.0005356200000000, 0.0000632500000000 ] - [ -0.0000079300000000, 0.0005564300000000, -0.0000716700000000 ] - [ 0.0000121200000000, -0.0004734800000000, 0.0000405900000000 ] - [ 0.0064028300000000, 0.0038646500000000, -0.0026286200000000 ] - [ -0.0003260900000000, -0.0002400900000000, -0.0003348300000000 ] - [ 0.0000572600000000, -0.0000265400000000, 0.0001683100000000 ] - [ 0.0002682600000000, 0.0001586700000000, 0.0005763800000000 ] - [ -0.0002561900000000, 0.0002597500000000, -0.0004001500000000 ] - [ -0.0999969300000000, 0.0202380700000000, 0.0362043800000000 ] - [ 0.0003513200000000, 0.0004429000000000, -0.0000607800000000 ] - [ 0.0003931900000000, -0.0004252300000000, -0.0000107400000000 ] - [ -0.0002350100000000, -0.0003680600000000, 0.0000203000000000 ] - [ 0.0002005300000000, 0.0004964200000000, 0.0003266800000000 ] - [ -0.0010245200000000, 0.0020630500000000, -0.0024731100000000 ] - [ -0.0002286800000000, -0.0011931400000000, 0.0006819100000000 ] - [ 0.0001845200000000, -0.0005101700000000, 0.0003313800000000 ] - [ 0.0030273400000000, -0.0027310300000000, 0.0011411200000000 ] - [ 0.0000632100000000, 0.0002728900000000, 0.0002190000000000 ] - [ 0.0000542800000000, -0.0002724300000000, 0.0002243900000000 ] - [ -0.0001489300000000, -0.0003670800000000, -0.0002960600000000 ] - [ 0.0059200100000000, -0.0016129300000000, -0.0047462300000000 ] - [ 0.0000305900000000, 0.0003470500000000, 0.0001854600000000 ] - [ 0.0000747000000000, -0.0002816300000000, 0.0001941200000000 ] - [ 0.0000070300000000, -0.0003289900000000, -0.0002321400000000 ] - [ 0.0001487900000000, 0.0001589100000000, 0.0002260200000000 ] - [ 0.0001847000000000, -0.0001537200000000, -0.0002685500000000 ] - [ -0.0002186200000000, -0.0001982400000000, -0.0002447500000000 ] - [ 0.0001345700000000, -0.0001760100000000, 0.0004464900000000 ] - [ 0.0000424700000000, 0.0001710100000000, -0.0008443800000000 ] - [ 0.0001485200000000, -0.0001874100000000, 0.0003354200000000 ] - [ -0.0000662200000000, 0.0001673100000000, 0.0004945000000000 ] - [ 0.0018492500000000, 0.0014469800000000, 0.0010717900000000 ] - [ -0.0002830600000000, 0.0003899900000000, -0.0000462300000000 ] - [ 0.0002362200000000, 0.0004090600000000, 0.0000366700000000 ] - [ 0.0001157500000000, -0.0005300000000000, -0.0001581500000000 ] - [ -0.0002483300000000, -0.0003726500000000, 0.0000174200000000 ] - [ 0.0001111200000000, 0.0004531900000000, 0.0002042500000000 ] - [ -0.0001602600000000, 0.0005221800000000, -0.0003205000000000 ] - [ -0.0001864400000000, -0.0005292300000000, -0.0003264400000000 ] - [ 0.0001737000000000, -0.0029392600000000, -0.0009314800000000 ] - [ -0.0000651000000000, 0.0002798800000000, -0.0002910800000000 ] - [ -0.0008544900000000, 0.0005416500000000, 0.0000083400000000 ] - [ -0.0006271300000000, -0.0004139500000000, 0.0008686400000000 ] - [ -0.0000992500000000, -0.0002679100000000, -0.0002387000000000 ] - [ -0.0000366000000000, 0.0003451300000000, -0.0002171800000000 ] - [ 0.0000315600000000, 0.0002577900000000, 0.0001434200000000 ] - [ -0.0018307500000000, 0.0012001100000000, 0.0020659300000000 ] - [ 0.0001072700000000, -0.0003390700000000, -0.0002384800000000 ] - [ 0.0003150900000000, 0.0002054200000000, 0.0000667400000000 ] - [ 0.0009957000000000, -0.0000743500000000, 0.0000717200000000 ] - [ -0.0001322200000000, -0.0002657800000000, -0.0003061200000000 ] - [ 0.0016223900000000, -0.0010301200000000, 0.0022380000000000 ] - [ 0.0000179900000000, -0.0001736100000000, -0.0004710700000000 ] - [ -0.0001117200000000, -0.0003166100000000, 0.0003299500000000 ] - [ -0.0013330200000000, 0.0012863700000000, 0.0005478500000000 ] - [ 0.0001536400000000, 0.0003235300000000, -0.0003720600000000 ]- atom: 41 displacement: [ -0.0099999862199687, 0.0000000000000000, -0.0000166012179150 ] forces: - [ -0.0045447900000000, -0.0043919600000000, -0.0022912000000000 ] - [ 0.0002686500000000, 0.0003824100000000, 0.0001862500000000 ] - [ 0.0004509200000000, -0.0005263600000000, -0.0004411000000000 ] - [ -0.0000369800000000, -0.0003965500000000, -0.0002354800000000 ] - [ -0.0023401800000000, 0.0008656100000000, 0.0010865500000000 ] - [ 0.0002876600000000, -0.0002349300000000, -0.0009124800000000 ] - [ 0.0003950700000000, 0.0001094000000000, -0.0007483700000000 ] - [ -0.0009292200000000, -0.0003780900000000, 0.0014283200000000 ] - [ 0.0000758300000000, 0.0002350100000000, -0.0002773100000000 ] - [ -0.0005605400000000, 0.0000804200000000, -0.0002162200000000 ] - [ -0.0667860000000000, 0.0075228100000000, 0.0324212500000000 ] - [ 0.0001094900000000, -0.0001370500000000, -0.0003254900000000 ] - [ -0.0002394600000000, 0.0004177300000000, -0.0003138300000000 ] - [ 0.0003309600000000, 0.0005435300000000, 0.0003537400000000 ] - [ -0.0011919000000000, 0.0000668200000000, 0.0025880500000000 ] - [ -0.0002618200000000, -0.0004296800000000, -0.0001934100000000 ] - [ -0.0003953700000000, -0.0001692700000000, 0.0008296500000000 ] - [ 0.0005511400000000, -0.0001130000000000, -0.0008349000000000 ] - [ -0.0127516400000000, 0.0154313500000000, 0.0015908400000000 ] - [ -0.0003284800000000, 0.0001628900000000, 0.0008172400000000 ] - [ 0.0000911400000000, 0.0016906300000000, 0.0000263800000000 ] - [ -0.0000162800000000, 0.0001931100000000, 0.0003135900000000 ] - [ -0.0000656000000000, -0.0000974200000000, 0.0004289500000000 ] - [ -0.0002046900000000, -0.0006057900000000, -0.0005733700000000 ] - [ 0.0000176700000000, -0.0004299600000000, -0.0001296900000000 ] - [ -0.0000566200000000, 0.0006020500000000, 0.0001574000000000 ] - [ 0.0001065700000000, -0.0007038900000000, -0.0003492100000000 ] - [ -0.0000858900000000, 0.0004355600000000, 0.0000170900000000 ] - [ -0.0003537100000000, -0.0002689200000000, -0.0003884500000000 ] - [ 0.0005817000000000, -0.0003696900000000, 0.0004484400000000 ] - [ 0.0002973100000000, 0.0002709500000000, 0.0003040100000000 ] - [ -0.0002549300000000, 0.0001614700000000, -0.0002895400000000 ] - [ -0.0000446400000000, -0.0006437000000000, -0.0000654400000000 ] - [ 0.0000047400000000, 0.0006244400000000, 0.0000720700000000 ] - [ -0.0000123400000000, -0.0004982200000000, -0.0000420100000000 ] - [ -0.0061932900000000, -0.0027671600000000, 0.0025435000000000 ] - [ -0.0002878800000000, -0.0002704500000000, -0.0003101400000000 ] - [ 0.0005616600000000, -0.0004727200000000, 0.0004674900000000 ] - [ 0.0003486700000000, 0.0003553400000000, 0.0000726200000000 ] - [ -0.0003627400000000, 0.0002522300000000, -0.0002493000000000 ] - [ 0.1022671800000000, -0.0200641600000000, -0.0375517000000000 ] - [ 0.0001710700000000, 0.0003051500000000, 0.0000589100000000 ] - [ 0.0001243300000000, -0.0003164000000000, 0.0000147500000000 ] - [ -0.0002709400000000, -0.0003873800000000, -0.0000313300000000 ] - [ 0.0001675400000000, 0.0005042600000000, 0.0003159000000000 ] - [ 0.0006511600000000, -0.0010579400000000, 0.0018328300000000 ] - [ -0.0001370000000000, 0.0001763200000000, -0.0013245500000000 ] - [ 0.0001961600000000, -0.0005040900000000, 0.0003024400000000 ] - [ -0.0032772100000000, 0.0033368700000000, -0.0016431700000000 ] - [ 0.0001110600000000, 0.0002828900000000, 0.0002659600000000 ] - [ 0.0001134200000000, -0.0002808700000000, 0.0002662500000000 ] - [ -0.0000138400000000, -0.0002094700000000, -0.0002004100000000 ] - [ -0.0060688200000000, 0.0022593000000000, 0.0043816600000000 ] - [ 0.0000532400000000, 0.0002835200000000, 0.0002493500000000 ] - [ -0.0000049500000000, -0.0003361900000000, 0.0002166700000000 ] - [ -0.0000930300000000, -0.0003024700000000, -0.0001794100000000 ] - [ 0.0002229900000000, 0.0001706000000000, 0.0002662700000000 ] - [ -0.0005553100000000, 0.0004835300000000, -0.0002190000000000 ] - [ -0.0001557400000000, -0.0001334300000000, -0.0002448300000000 ] - [ 0.0002506400000000, -0.0001615700000000, 0.0000483700000000 ] - [ 0.0000171600000000, -0.0005036800000000, -0.0001021600000000 ] - [ -0.0002031900000000, -0.0001788700000000, 0.0005665900000000 ] - [ 0.0000004700000000, 0.0001842900000000, 0.0004382700000000 ] - [ -0.0017943800000000, -0.0011113000000000, -0.0019883700000000 ] - [ -0.0002386800000000, 0.0003627700000000, 0.0000340800000000 ] - [ 0.0002736300000000, 0.0003337000000000, -0.0000334400000000 ] - [ 0.0003922500000000, -0.0002160500000000, 0.0001626500000000 ] - [ -0.0002664800000000, -0.0003543000000000, -0.0000133500000000 ] - [ 0.0002651800000000, 0.0005602600000000, 0.0004168600000000 ] - [ -0.0002214200000000, 0.0004920900000000, -0.0003142100000000 ] - [ -0.0001853700000000, -0.0004818800000000, -0.0003122600000000 ] - [ 0.0002073100000000, 0.0019300100000000, 0.0015794400000000 ] - [ -0.0000993300000000, 0.0002810200000000, -0.0002027200000000 ] - [ 0.0010249100000000, 0.0000264500000000, 0.0004670500000000 ] - [ 0.0008004900000000, -0.0001533500000000, -0.0004412100000000 ] - [ -0.0000851800000000, -0.0002871200000000, -0.0002454500000000 ] - [ -0.0000438100000000, 0.0002805700000000, -0.0002015700000000 ] - [ 0.0000335300000000, 0.0003740600000000, 0.0002690100000000 ] - [ 0.0018890600000000, -0.0018249300000000, -0.0016251000000000 ] - [ -0.0001717800000000, -0.0002894700000000, -0.0001831300000000 ] - [ 0.0000565500000000, 0.0001193800000000, 0.0004267300000000 ] - [ -0.0013468100000000, 0.0003941800000000, -0.0005492300000000 ] - [ -0.0002413700000000, -0.0000633200000000, -0.0001861400000000 ] - [ -0.0012548700000000, 0.0007070800000000, -0.0017421400000000 ] - [ 0.0000388100000000, -0.0001819500000000, -0.0004476400000000 ] - [ 0.0000399600000000, -0.0000332300000000, 0.0006127100000000 ] - [ 0.0012770200000000, -0.0009492000000000, 0.0003763600000000 ] - [ -0.0000897900000000, 0.0000353600000000, -0.0005530700000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0029540400000000, 0.0125556500000000, 0.0167176000000000 ] - [ 0.0003328200000000, 0.0005118500000000, 0.0002298200000000 ] - [ 0.0003628800000000, -0.0006641400000000, 0.0000698600000000 ] - [ -0.0003010700000000, -0.0004617100000000, -0.0002983800000000 ] - [ -0.0007454100000000, -0.0003658700000000, 0.0022487800000000 ] - [ 0.0002944200000000, -0.0001066500000000, -0.0007428300000000 ] - [ 0.0003168700000000, 0.0000973400000000, -0.0007288900000000 ] - [ -0.0000556400000000, 0.0001935600000000, 0.0008093400000000 ] - [ 0.0000271100000000, 0.0001160300000000, -0.0003863600000000 ] - [ -0.0000719200000000, 0.0002997000000000, 0.0002894900000000 ] - [ -0.0043723700000000, 0.0046384400000000, -0.0009135100000000 ] - [ 0.0000139300000000, -0.0000853100000000, -0.0003476300000000 ] - [ -0.0003682300000000, 0.0004748800000000, -0.0002963700000000 ] - [ 0.0002752100000000, 0.0006563500000000, 0.0004146400000000 ] - [ 0.0001172500000000, 0.0020183300000000, 0.0013004200000000 ] - [ -0.0003252900000000, -0.0004822900000000, -0.0002226000000000 ] - [ -0.0003166000000000, -0.0001083500000000, 0.0007939100000000 ] - [ 0.0005294200000000, 0.0001482600000000, -0.0006584500000000 ] - [ -0.0200860000000000, 0.0576490200000000, 0.0173818700000000 ] - [ -0.0002952300000000, 0.0000932800000000, 0.0006982900000000 ] - [ -0.0017106600000000, 0.0016156400000000, -0.0003981000000000 ] - [ -0.0000170800000000, 0.0000901400000000, 0.0003704900000000 ] - [ 0.0000263200000000, -0.0000587200000000, 0.0003642000000000 ] - [ 0.0000543200000000, 0.0005559900000000, 0.0001591100000000 ] - [ 0.0000365100000000, -0.0005730000000000, -0.0000190400000000 ] - [ -0.0000426700000000, 0.0006109200000000, -0.0000223100000000 ] - [ 0.0000519700000000, -0.0004802900000000, -0.0000078800000000 ] - [ 0.0000271800000000, 0.0004861000000000, 0.0000290800000000 ] - [ -0.0003280100000000, -0.0002731900000000, -0.0003659100000000 ] - [ 0.0002954300000000, -0.0002581700000000, 0.0003146700000000 ] - [ 0.0003110300000000, 0.0002597900000000, 0.0003264500000000 ] - [ 0.0000184700000000, 0.0001415200000000, -0.0004553000000000 ] - [ -0.0000155700000000, -0.0005883700000000, 0.0000646400000000 ] - [ -0.0000047000000000, 0.0006497700000000, -0.0000583800000000 ] - [ -0.0000156000000000, -0.0004929800000000, 0.0000166500000000 ] - [ 0.0041428300000000, 0.0015469700000000, -0.0013330700000000 ] - [ -0.0003061200000000, -0.0002438800000000, -0.0003275700000000 ] - [ -0.0001014200000000, -0.0002506600000000, 0.0003513100000000 ] - [ 0.0003847500000000, 0.0002753700000000, -0.0000369200000000 ] - [ -0.0002768800000000, 0.0002233900000000, -0.0003295900000000 ] - [ 0.0203725100000000, -0.0913638000000000, -0.0362097200000000 ] - [ 0.0002218300000000, 0.0003707100000000, 0.0000078400000000 ] - [ 0.0002268800000000, -0.0003453800000000, 0.0000024700000000 ] - [ -0.0002941800000000, -0.0004323800000000, -0.0000904400000000 ] - [ 0.0001773300000000, 0.0005129800000000, 0.0003280600000000 ] - [ 0.0010614700000000, -0.0014203500000000, -0.0023659400000000 ] - [ -0.0001963100000000, -0.0006576200000000, -0.0000960800000000 ] - [ 0.0001978900000000, -0.0004983600000000, 0.0003152600000000 ] - [ -0.0032255500000000, 0.0004915300000000, -0.0013993900000000 ] - [ 0.0000712800000000, 0.0002724700000000, 0.0002203500000000 ] - [ 0.0000573400000000, -0.0002673300000000, 0.0002173800000000 ] - [ -0.0000427100000000, -0.0003329100000000, -0.0001602100000000 ] - [ 0.0007078400000000, -0.0005568400000000, -0.0004130900000000 ] - [ 0.0000068000000000, 0.0003373500000000, 0.0002220200000000 ] - [ -0.0000551300000000, -0.0003475500000000, 0.0001906100000000 ] - [ -0.0000876700000000, -0.0004194800000000, -0.0002763200000000 ] - [ 0.0001886600000000, 0.0001815200000000, 0.0002339800000000 ] - [ -0.0005055900000000, 0.0002754900000000, -0.0002164200000000 ] - [ -0.0001989100000000, -0.0001925200000000, -0.0002381200000000 ] - [ 0.0001938600000000, -0.0002635000000000, 0.0001158000000000 ] - [ -0.0000037600000000, -0.0003169800000000, -0.0004383100000000 ] - [ -0.0000428800000000, -0.0001536600000000, 0.0004252300000000 ] - [ -0.0000314400000000, 0.0001723800000000, 0.0004633000000000 ] - [ 0.0022847600000000, 0.0011478200000000, -0.0003158400000000 ] - [ -0.0002791600000000, 0.0003984300000000, 0.0000317600000000 ] - [ 0.0002420000000000, 0.0002862600000000, 0.0000409500000000 ] - [ 0.0001370100000000, -0.0004692100000000, 0.0001735500000000 ] - [ -0.0002647300000000, -0.0003637100000000, 0.0000122100000000 ] - [ 0.0003631200000000, 0.0006797100000000, 0.0007517200000000 ] - [ -0.0002030500000000, 0.0005083800000000, -0.0003186700000000 ] - [ -0.0001846100000000, -0.0005213500000000, -0.0003245900000000 ] - [ -0.0037002600000000, 0.0063060600000000, 0.0036754400000000 ] - [ -0.0000593000000000, 0.0002451200000000, -0.0002085700000000 ] - [ 0.0004091900000000, 0.0042926000000000, 0.0017843500000000 ] - [ -0.0004767300000000, -0.0006638900000000, 0.0013829400000000 ] - [ -0.0000847000000000, -0.0002694600000000, -0.0002146300000000 ] - [ -0.0000408000000000, 0.0003311200000000, -0.0002294000000000 ] - [ -0.0000285100000000, 0.0002714400000000, 0.0002891000000000 ] - [ 0.0020818900000000, 0.0014964100000000, 0.0025546500000000 ] - [ -0.0000027000000000, -0.0003302800000000, -0.0002087000000000 ] - [ 0.0000725400000000, 0.0001513900000000, 0.0003415400000000 ] - [ -0.0003666800000000, 0.0002654100000000, -0.0004938800000000 ] - [ -0.0001859600000000, -0.0002114500000000, -0.0002551700000000 ] - [ -0.0009855100000000, -0.0003106900000000, -0.0009275500000000 ] - [ 0.0000419300000000, -0.0001803100000000, -0.0004654900000000 ] - [ 0.0001082000000000, -0.0001278100000000, 0.0005372500000000 ] - [ 0.0015208000000000, 0.0014784200000000, -0.0030075500000000 ] - [ -0.0000146100000000, 0.0001290800000000, -0.0004451900000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0035356100000000, -0.0117096800000000, -0.0171510600000000 ] - [ 0.0002408800000000, 0.0004050200000000, 0.0002122300000000 ] - [ 0.0002159900000000, -0.0002425900000000, 0.0003655300000000 ] - [ -0.0002711000000000, -0.0004598100000000, -0.0001386300000000 ] - [ 0.0001091100000000, 0.0001168200000000, -0.0006467500000000 ] - [ 0.0003345200000000, -0.0001469500000000, -0.0008469300000000 ] - [ 0.0003410000000000, 0.0001617400000000, -0.0008781600000000 ] - [ -0.0006014400000000, 0.0000756900000000, 0.0008070500000000 ] - [ 0.0000469000000000, 0.0001596300000000, -0.0002871100000000 ] - [ 0.0000026700000000, -0.0000128000000000, 0.0003903600000000 ] - [ 0.0046290300000000, -0.0050418900000000, 0.0014469700000000 ] - [ 0.0000529200000000, -0.0002044100000000, -0.0003263200000000 ] - [ -0.0002176300000000, 0.0004396700000000, -0.0001427400000000 ] - [ 0.0002982600000000, 0.0002436900000000, 0.0000235200000000 ] - [ 0.0004141000000000, -0.0029104300000000, -0.0008076900000000 ] - [ -0.0002559000000000, -0.0004305800000000, -0.0002150000000000 ] - [ -0.0003187900000000, -0.0001597100000000, 0.0008214700000000 ] - [ 0.0001211200000000, -0.0004135100000000, -0.0009457600000000 ] - [ 0.0196496500000000, -0.0545643700000000, -0.0181529200000000 ] - [ -0.0003507500000000, 0.0001567100000000, 0.0008844000000000 ] - [ 0.0017667800000000, -0.0013515000000000, -0.0002265700000000 ] - [ -0.0000578800000000, 0.0001926800000000, 0.0003041400000000 ] - [ -0.0000967700000000, -0.0002376800000000, 0.0003094900000000 ] - [ 0.0000012400000000, -0.0008584000000000, -0.0009067800000000 ] - [ -0.0000378300000000, -0.0006087400000000, 0.0000177900000000 ] - [ 0.0000375900000000, 0.0005711400000000, 0.0000206500000000 ] - [ -0.0000529100000000, -0.0004895500000000, 0.0000084700000000 ] - [ -0.0000289300000000, 0.0004847200000000, -0.0000299400000000 ] - [ -0.0002946700000000, -0.0002478300000000, -0.0002757800000000 ] - [ 0.0003242800000000, -0.0002634600000000, 0.0003203500000000 ] - [ 0.0003082400000000, 0.0002614400000000, 0.0003112900000000 ] - [ -0.0006404700000000, 0.0003834800000000, -0.0001833100000000 ] - [ 0.0000185800000000, -0.0005944700000000, -0.0000646600000000 ] - [ 0.0000093700000000, 0.0005406400000000, 0.0000594200000000 ] - [ 0.0000177400000000, -0.0004758400000000, -0.0000199800000000 ] - [ -0.0040996700000000, -0.0006063200000000, 0.0013214000000000 ] - [ -0.0003150400000000, -0.0002757400000000, -0.0003102000000000 ] - [ 0.0007259200000000, -0.0002681600000000, 0.0002887100000000 ] - [ 0.0002406700000000, 0.0002374100000000, 0.0006708600000000 ] - [ -0.0003447800000000, 0.0002964000000000, -0.0003108200000000 ] - [ -0.0200318800000000, 0.0894191100000000, 0.0355303600000000 ] - [ 0.0002905300000000, 0.0003691100000000, -0.0000076600000000 ] - [ 0.0002824100000000, -0.0003907000000000, 0.0000057000000000 ] - [ -0.0002106000000000, -0.0003117100000000, 0.0000824100000000 ] - [ 0.0001903500000000, 0.0004859300000000, 0.0003123700000000 ] - [ -0.0014398700000000, 0.0024648300000000, 0.0017315400000000 ] - [ -0.0001679600000000, -0.0003639500000000, -0.0005410000000000 ] - [ 0.0001803500000000, -0.0005051400000000, 0.0003197100000000 ] - [ 0.0030194800000000, 0.0000787700000000, 0.0008936200000000 ] - [ 0.0001111900000000, 0.0002845500000000, 0.0002727100000000 ] - [ 0.0001191900000000, -0.0002885200000000, 0.0002772800000000 ] - [ -0.0001308700000000, -0.0002403600000000, -0.0003381400000000 ] - [ -0.0007574000000000, 0.0011767400000000, -0.0000229000000000 ] - [ 0.0000826000000000, 0.0002859900000000, 0.0002107500000000 ] - [ 0.0001353000000000, -0.0002677300000000, 0.0002264100000000 ] - [ 0.0000053000000000, -0.0002090200000000, -0.0001390500000000 ] - [ 0.0001843100000000, 0.0001477100000000, 0.0002549400000000 ] - [ 0.0001332100000000, 0.0000553400000000, -0.0002763100000000 ] - [ -0.0001724300000000, -0.0001347600000000, -0.0002510600000000 ] - [ 0.0001859500000000, -0.0000708700000000, 0.0003765500000000 ] - [ 0.0000680000000000, -0.0000157700000000, -0.0005001300000000 ] - [ -0.0000154900000000, -0.0002120600000000, 0.0004798000000000 ] - [ -0.0000354800000000, 0.0001849300000000, 0.0004599700000000 ] - [ -0.0022332000000000, -0.0007909300000000, -0.0006139000000000 ] - [ -0.0002347400000000, 0.0003437200000000, -0.0000427300000000 ] - [ 0.0002657200000000, 0.0004502100000000, -0.0000380500000000 ] - [ 0.0003814400000000, -0.0002630000000000, -0.0001732400000000 ] - [ -0.0002468400000000, -0.0003610100000000, -0.0000129300000000 ] - [ 0.0000133600000000, 0.0003247100000000, -0.0001241600000000 ] - [ -0.0001758100000000, 0.0005007300000000, -0.0003171500000000 ] - [ -0.0001879500000000, -0.0004813700000000, -0.0003164100000000 ] - [ 0.0040190500000000, -0.0072025600000000, -0.0029904900000000 ] - [ -0.0001185000000000, 0.0003145900000000, -0.0002920500000000 ] - [ -0.0002294000000000, -0.0038341200000000, -0.0013263900000000 ] - [ 0.0006469300000000, 0.0000998900000000, -0.0009124100000000 ] - [ -0.0001049200000000, -0.0002874600000000, -0.0002740600000000 ] - [ -0.0000492300000000, 0.0002869500000000, -0.0001922500000000 ] - [ 0.0001066000000000, 0.0003531000000000, 0.0001273900000000 ] - [ -0.0019663200000000, -0.0020779100000000, -0.0020952400000000 ] - [ -0.0000768500000000, -0.0002915900000000, -0.0002157100000000 ] - [ 0.0003003100000000, 0.0001832500000000, 0.0001427700000000 ] - [ -0.0000097800000000, 0.0000710300000000, 0.0000106400000000 ] - [ -0.0001846000000000, -0.0001216400000000, -0.0002394500000000 ] - [ 0.0013379100000000, -0.0000087000000000, 0.0013953000000000 ] - [ 0.0000180900000000, -0.0001799600000000, -0.0004512100000000 ] - [ -0.0001802300000000, -0.0002318300000000, 0.0003917200000000 ] - [ -0.0015794600000000, -0.0011232700000000, 0.0039614300000000 ] - [ 0.0000758800000000, 0.0002323100000000, -0.0004762700000000 ]- atom: 41 displacement: [ -0.0002562758177658, 0.0000000000000000, 0.0099967155958959 ] forces: - [ -0.0054151300000000, 0.0207386900000000, 0.0755849000000000 ] - [ 0.0002939900000000, 0.0005037200000000, 0.0002261500000000 ] - [ 0.0005051200000000, -0.0007555300000000, 0.0002159200000000 ] - [ -0.0002705200000000, -0.0004607900000000, -0.0004007200000000 ] - [ -0.0010381600000000, 0.0018993900000000, 0.0025707200000000 ] - [ 0.0002752100000000, -0.0001512300000000, -0.0007521600000000 ] - [ 0.0002318600000000, 0.0000237000000000, -0.0007857900000000 ] - [ -0.0001999500000000, 0.0000202700000000, 0.0015181500000000 ] - [ -0.0000931300000000, 0.0002060400000000, -0.0002773700000000 ] - [ 0.0000657700000000, 0.0003533800000000, 0.0012914600000000 ] - [ -0.0287080300000000, 0.0008277100000000, 0.0220940900000000 ] - [ 0.0000278100000000, -0.0000889800000000, -0.0003386100000000 ] - [ -0.0002116600000000, 0.0004519500000000, -0.0002332200000000 ] - [ 0.0005424100000000, 0.0005907900000000, 0.0005986200000000 ] - [ -0.0012523100000000, 0.0003252100000000, 0.0010984400000000 ] - [ -0.0003094300000000, -0.0004817800000000, -0.0002065000000000 ] - [ -0.0003597400000000, -0.0000232000000000, 0.0007815000000000 ] - [ 0.0006484200000000, 0.0000876800000000, -0.0004713000000000 ] - [ -0.0007865300000000, 0.0118196700000000, 0.0061505700000000 ] - [ -0.0002842900000000, 0.0000777000000000, 0.0006835900000000 ] - [ -0.0012049200000000, 0.0008183200000000, 0.0019247500000000 ] - [ -0.0000072100000000, 0.0001132500000000, 0.0003914300000000 ] - [ -0.0000058900000000, -0.0000167900000000, 0.0002742600000000 ] - [ -0.0005873800000000, -0.0002129800000000, -0.0008248600000000 ] - [ 0.0000499700000000, -0.0005226500000000, -0.0000152300000000 ] - [ 0.0000742800000000, 0.0006234200000000, 0.0000723300000000 ] - [ 0.0001045000000000, -0.0005600700000000, -0.0001326500000000 ] - [ 0.0000555400000000, 0.0004698100000000, -0.0000160500000000 ] - [ -0.0002287300000000, -0.0002941200000000, -0.0003300700000000 ] - [ 0.0004774100000000, -0.0002847600000000, 0.0003817400000000 ] - [ 0.0003263700000000, 0.0002440100000000, 0.0003402300000000 ] - [ -0.0003184500000000, 0.0001138100000000, -0.0003554900000000 ] - [ -0.0001914800000000, -0.0006569400000000, 0.0001032200000000 ] - [ -0.0000562200000000, 0.0005846100000000, -0.0000775500000000 ] - [ -0.0000324500000000, -0.0005367300000000, 0.0000915600000000 ] - [ -0.0021342100000000, -0.0003863600000000, -0.0004626700000000 ] - [ -0.0003439200000000, -0.0002197800000000, -0.0003319200000000 ] - [ 0.0004306400000000, -0.0013392400000000, 0.0008460800000000 ] - [ 0.0001657200000000, 0.0002350000000000, 0.0000720200000000 ] - [ -0.0002051400000000, 0.0002923100000000, -0.0002655700000000 ] - [ 0.0397155200000000, -0.0365440400000000, -0.1208583600000000 ] - [ 0.0002230500000000, 0.0003628500000000, -0.0000085600000000 ] - [ 0.0002644700000000, -0.0003712800000000, 0.0000033900000000 ] - [ -0.0002430300000000, -0.0002992700000000, 0.0000218900000000 ] - [ 0.0001879500000000, 0.0005136000000000, 0.0003244100000000 ] - [ -0.0020702800000000, -0.0021315000000000, 0.0025942300000000 ] - [ 0.0009412400000000, 0.0000287300000000, 0.0012742700000000 ] - [ 0.0001386000000000, -0.0005683000000000, 0.0003247300000000 ] - [ 0.0006185300000000, -0.0004495900000000, -0.0025999200000000 ] - [ 0.0000796200000000, 0.0002853000000000, 0.0002097400000000 ] - [ 0.0000212500000000, -0.0002803000000000, 0.0001742200000000 ] - [ -0.0000175700000000, -0.0001170300000000, -0.0002308600000000 ] - [ -0.0027738800000000, 0.0015481000000000, 0.0009082600000000 ] - [ -0.0000317700000000, 0.0003376600000000, 0.0002260500000000 ] - [ -0.0000201900000000, -0.0003984700000000, 0.0002090300000000 ] - [ -0.0000722200000000, -0.0003201900000000, -0.0002570600000000 ] - [ 0.0001786700000000, 0.0001845300000000, 0.0002218100000000 ] - [ -0.0003566400000000, 0.0003979500000000, -0.0003351300000000 ] - [ -0.0002230600000000, -0.0001693200000000, -0.0002486900000000 ] - [ 0.0001541700000000, -0.0001627600000000, 0.0001593000000000 ] - [ -0.0002733100000000, -0.0004262500000000, -0.0004915700000000 ] - [ -0.0000859600000000, -0.0002291200000000, 0.0004530900000000 ] - [ -0.0000259100000000, 0.0001393800000000, 0.0004897800000000 ] - [ 0.0010488500000000, 0.0007453000000000, -0.0017101600000000 ] - [ -0.0003169300000000, 0.0004204400000000, 0.0000636400000000 ] - [ 0.0003165200000000, 0.0003289100000000, -0.0001158200000000 ] - [ 0.0001381600000000, -0.0002039400000000, 0.0001411200000000 ] - [ -0.0002662200000000, -0.0003703200000000, 0.0000164000000000 ] - [ 0.0000849600000000, 0.0006671100000000, 0.0004194500000000 ] - [ -0.0002159000000000, 0.0005281100000000, -0.0003023400000000 ] - [ -0.0001908500000000, -0.0005216000000000, -0.0003308700000000 ] - [ -0.0002420900000000, -0.0002628400000000, -0.0000988300000000 ] - [ 0.0000617100000000, 0.0002298400000000, -0.0002118400000000 ] - [ 0.0004098900000000, 0.0011307400000000, 0.0006355000000000 ] - [ -0.0008180000000000, 0.0020967500000000, 0.0066736200000000 ] - [ -0.0000936000000000, -0.0002756100000000, -0.0002128700000000 ] - [ -0.0000452300000000, 0.0003793000000000, -0.0002093700000000 ] - [ 0.0000372200000000, 0.0003052000000000, 0.0001695200000000 ] - [ 0.0020516400000000, 0.0019357700000000, -0.0002095000000000 ] - [ -0.0000137100000000, -0.0003396800000000, -0.0001899700000000 ] - [ 0.0001225200000000, 0.0000909000000000, 0.0004980300000000 ] - [ -0.0004934800000000, 0.0001101200000000, -0.0009767100000000 ] - [ -0.0001544100000000, -0.0001421300000000, -0.0001913100000000 ] - [ 0.0013608400000000, 0.0001352800000000, 0.0010936700000000 ] - [ 0.0000908200000000, -0.0001835700000000, -0.0005157600000000 ] - [ 0.0001806600000000, 0.0001372000000000, 0.0003976200000000 ] - [ 0.0005889500000000, -0.0028281800000000, 0.0019981500000000 ] - [ -0.0000017300000000, 0.0001277300000000, -0.0004294200000000 ]- atom: 41 displacement: [ 0.0002562758177658, 0.0000000000000000, -0.0099967155958959 ] forces: - [ 0.0046009400000000, -0.0186623200000000, -0.0726229500000000 ] - [ 0.0003356500000000, 0.0004787800000000, 0.0002596100000000 ] - [ 0.0001431300000000, -0.0001830100000000, 0.0002551800000000 ] - [ -0.0003558600000000, -0.0005459400000000, -0.0000738000000000 ] - [ 0.0004247400000000, -0.0020775200000000, -0.0010222900000000 ] - [ 0.0003237200000000, -0.0000593400000000, -0.0007693300000000 ] - [ 0.0003831600000000, 0.0002087600000000, -0.0007619600000000 ] - [ -0.0004107200000000, 0.0001865400000000, 0.0000405100000000 ] - [ 0.0001299500000000, 0.0000245900000000, -0.0004367500000000 ] - [ -0.0001038000000000, -0.0001326500000000, -0.0006339900000000 ] - [ 0.0281853500000000, -0.0010055200000000, -0.0212184100000000 ] - [ 0.0000011500000000, -0.0001368600000000, -0.0003413600000000 ] - [ -0.0004506900000000, 0.0005289900000000, -0.0002360100000000 ] - [ 0.0001046700000000, 0.0003306700000000, -0.0001521400000000 ] - [ 0.0018703400000000, -0.0012604300000000, -0.0006019200000000 ] - [ -0.0003375800000000, -0.0004645900000000, -0.0002270400000000 ] - [ -0.0002576700000000, -0.0002010900000000, 0.0007734600000000 ] - [ -0.0000093900000000, -0.0003360700000000, -0.0010622700000000 ] - [ 0.0014870300000000, -0.0117481900000000, -0.0078149500000000 ] - [ -0.0003237800000000, 0.0001264200000000, 0.0008135700000000 ] - [ 0.0012296000000000, -0.0005418300000000, -0.0025691300000000 ] - [ -0.0000549300000000, 0.0001236600000000, 0.0003317500000000 ] - [ -0.0000440800000000, -0.0002152200000000, 0.0004118700000000 ] - [ 0.0006651200000000, 0.0000072700000000, 0.0001118000000000 ] - [ -0.0000543900000000, -0.0006443500000000, 0.0000146800000000 ] - [ -0.0000774200000000, 0.0005435600000000, -0.0000755100000000 ] - [ -0.0001054200000000, -0.0004130400000000, 0.0001321900000000 ] - [ -0.0000584200000000, 0.0005058500000000, 0.0000123500000000 ] - [ -0.0003777100000000, -0.0001943300000000, -0.0003429700000000 ] - [ 0.0001239700000000, -0.0002106400000000, 0.0002852700000000 ] - [ 0.0002734700000000, 0.0002448500000000, 0.0003315000000000 ] - [ -0.0002894500000000, 0.0003754200000000, -0.0003182100000000 ] - [ 0.0001922700000000, -0.0005097200000000, -0.0001017600000000 ] - [ 0.0000515300000000, 0.0005848900000000, 0.0000754400000000 ] - [ 0.0000302300000000, -0.0004417400000000, -0.0000892300000000 ] - [ 0.0021317700000000, 0.0013556800000000, 0.0004729200000000 ] - [ -0.0002598700000000, -0.0002707600000000, -0.0003395400000000 ] - [ 0.0001812000000000, 0.0008396300000000, -0.0001865800000000 ] - [ 0.0004387100000000, 0.0002603400000000, 0.0006024200000000 ] - [ -0.0003972700000000, 0.0002006100000000, -0.0004114000000000 ] - [ -0.0395453000000000, 0.0362227100000000, 0.1172857500000000 ] - [ 0.0003219800000000, 0.0004115100000000, -0.0000138500000000 ] - [ 0.0002716200000000, -0.0003906900000000, -0.0000245900000000 ] - [ -0.0002789400000000, -0.0004929500000000, -0.0000122900000000 ] - [ 0.0001757400000000, 0.0004983200000000, 0.0003281100000000 ] - [ 0.0016692700000000, 0.0031413200000000, -0.0031724800000000 ] - [ -0.0013352300000000, -0.0010686600000000, -0.0019574400000000 ] - [ 0.0002362500000000, -0.0004808300000000, 0.0003165400000000 ] - [ -0.0007550200000000, 0.0009938500000000, 0.0021657900000000 ] - [ 0.0000631500000000, 0.0002670800000000, 0.0002201000000000 ] - [ 0.0001155000000000, -0.0002625900000000, 0.0002779300000000 ] - [ -0.0001087600000000, -0.0004707800000000, -0.0002226300000000 ] - [ 0.0027379400000000, -0.0008628100000000, -0.0013045500000000 ] - [ 0.0000568000000000, 0.0003386100000000, 0.0002157600000000 ] - [ 0.0000231300000000, -0.0002491900000000, 0.0001897000000000 ] - [ 0.0000379400000000, -0.0003553100000000, -0.0001512000000000 ] - [ 0.0001645000000000, 0.0001446300000000, 0.0002543400000000 ] - [ 0.0000088400000000, -0.0000641400000000, -0.0001503400000000 ] - [ -0.0001306900000000, -0.0001670400000000, -0.0002299000000000 ] - [ 0.0002124000000000, -0.0001833200000000, 0.0003300300000000 ] - [ 0.0003467800000000, 0.0001084200000000, -0.0004636900000000 ] - [ 0.0000189600000000, -0.0001437000000000, 0.0004361500000000 ] - [ -0.0000574300000000, 0.0002056500000000, 0.0004465200000000 ] - [ -0.0009513300000000, -0.0003933600000000, 0.0007797900000000 ] - [ -0.0002314200000000, 0.0003597100000000, -0.0000659300000000 ] - [ 0.0002249000000000, 0.0004302400000000, 0.0000968000000000 ] - [ 0.0004229000000000, -0.0005788500000000, -0.0001563200000000 ] - [ -0.0002672800000000, -0.0003715300000000, 0.0000132600000000 ] - [ 0.0003016600000000, 0.0003817000000000, 0.0002102400000000 ] - [ -0.0001737200000000, 0.0005023000000000, -0.0003397900000000 ] - [ -0.0001765400000000, -0.0005218300000000, -0.0003186600000000 ] - [ 0.0006227200000000, -0.0007998100000000, 0.0007475100000000 ] - [ -0.0001945700000000, 0.0003290600000000, -0.0002292100000000 ] - [ -0.0002629100000000, -0.0005836100000000, -0.0001965800000000 ] - [ 0.0009274800000000, -0.0025953900000000, -0.0061177300000000 ] - [ -0.0000734800000000, -0.0002726100000000, -0.0002312200000000 ] - [ 0.0000170400000000, 0.0002890400000000, -0.0002110300000000 ] - [ -0.0000505500000000, 0.0003682600000000, 0.0002322900000000 ] - [ -0.0020228500000000, -0.0025943900000000, 0.0006365100000000 ] - [ 0.0000109900000000, -0.0003258100000000, -0.0002241100000000 ] - [ 0.0002313100000000, 0.0002452800000000, -0.0000138700000000 ] - [ 0.0001299200000000, 0.0002234100000000, 0.0004642500000000 ] - [ -0.0001975300000000, -0.0001952300000000, -0.0002995100000000 ] - [ -0.0010044700000000, -0.0004749300000000, -0.0006027300000000 ] - [ -0.0000275400000000, -0.0001727900000000, -0.0004021600000000 ] - [ -0.0002658200000000, -0.0004933000000000, 0.0005411300000000 ] - [ -0.0006520100000000, 0.0032057500000000, -0.0010911300000000 ] - [ 0.0000744500000000, 0.0002272000000000, -0.0005005500000000 ]- atom: 45 displacement: [ 0.0099999862199687, 0.0000000000000000, 0.0000166012179150 ] forces: - [ -0.0002264400000000, 0.0004101100000000, -0.0002276700000000 ] - [ 0.0205590300000000, -0.0284966200000000, -0.0087737900000000 ] - [ 0.0005997400000000, -0.0001942900000000, 0.0004896900000000 ] - [ -0.0003061500000000, -0.0002543200000000, -0.0001756900000000 ] - [ -0.0003642100000000, -0.0001687900000000, 0.0008353700000000 ] - [ 0.0160519800000000, 0.0239230400000000, -0.0036068900000000 ] - [ 0.0007419300000000, 0.0005457500000000, -0.0004506600000000 ] - [ -0.0003403500000000, 0.0001487300000000, 0.0008240800000000 ] - [ 0.0005997100000000, -0.0000774600000000, 0.0001893300000000 ] - [ -0.0000558300000000, 0.0001767600000000, 0.0003749200000000 ] - [ -0.0000530300000000, -0.0001613600000000, 0.0003179900000000 ] - [ 0.0136456400000000, 0.0145402100000000, 0.0092731900000000 ] - [ -0.0003343100000000, 0.0002728000000000, -0.0002472600000000 ] - [ 0.0002164300000000, 0.0004163500000000, 0.0002185700000000 ] - [ 0.0002165000000000, -0.0004262100000000, 0.0001640800000000 ] - [ -0.0013537200000000, 0.0005389800000000, -0.0000243800000000 ] - [ -0.0001222400000000, -0.0002356000000000, 0.0007305700000000 ] - [ 0.0002674600000000, -0.0001995600000000, -0.0009926000000000 ] - [ 0.0003592900000000, 0.0001200100000000, -0.0007959700000000 ] - [ 0.0010715600000000, -0.0006573900000000, 0.0021137100000000 ] - [ 0.0000620900000000, 0.0001847900000000, -0.0003437000000000 ] - [ 0.0016512000000000, 0.0000508100000000, -0.0010909400000000 ] - [ -0.0000107700000000, -0.0002020900000000, 0.0003979000000000 ] - [ -0.0000033200000000, -0.0001799200000000, -0.0002585900000000 ] - [ -0.0001098100000000, -0.0006881900000000, 0.0000124100000000 ] - [ -0.0001000400000000, 0.0006263700000000, 0.0000672400000000 ] - [ -0.0000700900000000, -0.0004094500000000, -0.0000659200000000 ] - [ -0.0001374800000000, 0.0004853500000000, -0.0000477800000000 ] - [ -0.0003253800000000, -0.0002317800000000, -0.0003098500000000 ] - [ 0.0002546300000000, -0.0002374000000000, 0.0002292000000000 ] - [ 0.0039741600000000, -0.0033281300000000, 0.0013805900000000 ] - [ -0.0003546000000000, 0.0002523900000000, -0.0003181200000000 ] - [ 0.0000025300000000, -0.0005717600000000, -0.0001417800000000 ] - [ -0.0000780600000000, 0.0007088100000000, 0.0002482300000000 ] - [ 0.0000462500000000, -0.0004958600000000, -0.0001030200000000 ] - [ 0.0000026200000000, 0.0003917000000000, 0.0001090900000000 ] - [ 0.0057352000000000, 0.0056632000000000, -0.0038514400000000 ] - [ 0.0003278800000000, -0.0002632000000000, 0.0003108300000000 ] - [ 0.0001388800000000, 0.0002993600000000, 0.0003147000000000 ] - [ -0.0002662400000000, 0.0002439300000000, -0.0002899700000000 ] - [ -0.0002239600000000, 0.0003546800000000, 0.0000004100000000 ] - [ -0.0005994800000000, -0.0008880700000000, -0.0018666500000000 ] - [ 0.0001943000000000, -0.0003769500000000, 0.0011449700000000 ] - [ -0.0002499700000000, -0.0003630900000000, -0.0000604300000000 ] - [ -0.0703621400000000, -0.0111053600000000, 0.0024867500000000 ] - [ -0.0001848800000000, 0.0004883600000000, -0.0003139600000000 ] - [ -0.0001518600000000, -0.0005122600000000, -0.0003185000000000 ] - [ 0.0000228200000000, -0.0003957800000000, 0.0001972300000000 ] - [ -0.0000975700000000, 0.0002831100000000, -0.0002553500000000 ] - [ -0.0002547000000000, 0.0025635100000000, 0.0026861900000000 ] - [ 0.0002685700000000, -0.0005030400000000, -0.0003640200000000 ] - [ -0.0000437700000000, -0.0003079000000000, -0.0002238000000000 ] - [ -0.0000344300000000, 0.0002964000000000, -0.0002144000000000 ] - [ 0.0027170200000000, 0.0033734000000000, 0.0011806600000000 ] - [ 0.0000216700000000, -0.0003002200000000, 0.0001856300000000 ] - [ 0.0000479200000000, -0.0003005000000000, -0.0002075300000000 ] - [ 0.0003356500000000, 0.0000672000000000, 0.0001846800000000 ] - [ -0.0001548900000000, 0.0001446100000000, -0.0002489000000000 ] - [ -0.0001878400000000, -0.0002711500000000, -0.0001396800000000 ] - [ 0.0001159700000000, -0.0000561000000000, 0.0003358800000000 ] - [ 0.0000116500000000, -0.0001811800000000, -0.0004367300000000 ] - [ 0.0007557100000000, 0.0008445800000000, -0.0023450000000000 ] - [ 0.0004794100000000, -0.0014593500000000, 0.0021808500000000 ] - [ 0.0000328700000000, 0.0001845800000000, -0.0004741800000000 ] - [ -0.0003226400000000, 0.0005266300000000, -0.0001155100000000 ] - [ 0.0002747900000000, 0.0003693300000000, -0.0000119900000000 ] - [ 0.0002372400000000, -0.0003563500000000, 0.0000049200000000 ] - [ -0.0002657800000000, 0.0034823200000000, -0.0004477000000000 ] - [ 0.0002007800000000, 0.0004797200000000, 0.0003039000000000 ] - [ -0.0001952900000000, 0.0005170100000000, -0.0002917800000000 ] - [ -0.0007202100000000, -0.0003232500000000, -0.0001266800000000 ] - [ 0.0002016500000000, -0.0004885500000000, 0.0003219400000000 ] - [ -0.0002985300000000, 0.0003399600000000, -0.0002519300000000 ] - [ 0.0001110700000000, 0.0002831800000000, 0.0002960900000000 ] - [ 0.0001268200000000, -0.0002754100000000, 0.0002973100000000 ] - [ -0.0007492500000000, -0.0025115400000000, 0.0011398900000000 ] - [ -0.0001888100000000, 0.0002559700000000, -0.0002037600000000 ] - [ 0.0003164100000000, 0.0001870200000000, 0.0002501300000000 ] - [ 0.0000788300000000, -0.0002928500000000, 0.0002085900000000 ] - [ 0.0016303800000000, -0.0063226800000000, -0.0017881600000000 ] - [ 0.0001488200000000, -0.0002106100000000, 0.0003663800000000 ] - [ -0.0002692200000000, 0.0002120300000000, -0.0002699700000000 ] - [ 0.0052594000000000, 0.0000854000000000, 0.0005215900000000 ] - [ 0.0002035100000000, -0.0001527100000000, 0.0002063400000000 ] - [ -0.0000155800000000, -0.0001403100000000, -0.0002449700000000 ] - [ -0.0000359200000000, -0.0001561800000000, 0.0004979900000000 ] - [ 0.0000225800000000, 0.0001817700000000, 0.0003971300000000 ] - [ -0.0001217500000000, 0.0002105700000000, -0.0006595400000000 ]- atom: 45 displacement: [ -0.0099999862199687, 0.0000000000000000, -0.0000166012179150 ] forces: - [ -0.0003456300000000, 0.0004979000000000, -0.0001893000000000 ] - [ -0.0205510500000000, 0.0303649900000000, 0.0094945100000000 ] - [ -0.0000185500000000, -0.0007102600000000, -0.0000587700000000 ] - [ -0.0002618200000000, -0.0006718900000000, -0.0002639900000000 ] - [ -0.0002620200000000, -0.0000752300000000, 0.0007494300000000 ] - [ -0.0153847600000000, -0.0239103200000000, 0.0019545300000000 ] - [ -0.0000885300000000, -0.0002863000000000, -0.0011542700000000 ] - [ -0.0003076800000000, 0.0001097100000000, 0.0007909800000000 ] - [ -0.0005364800000000, 0.0003586300000000, -0.0008550000000000 ] - [ -0.0000185700000000, 0.0001091900000000, 0.0002953100000000 ] - [ -0.0000209900000000, -0.0001361400000000, 0.0003609500000000 ] - [ -0.0135605300000000, -0.0146895700000000, -0.0098244500000000 ] - [ -0.0002522500000000, 0.0006473500000000, -0.0001943400000000 ] - [ 0.0003549400000000, 0.0004819600000000, 0.0002205200000000 ] - [ 0.0003532000000000, -0.0004814700000000, 0.0002927800000000 ] - [ 0.0007342900000000, -0.0014668800000000, -0.0004113700000000 ] - [ -0.0005121300000000, -0.0000251900000000, 0.0008844800000000 ] - [ 0.0003840000000000, -0.0000687000000000, -0.0006079500000000 ] - [ 0.0002855800000000, 0.0001389900000000, -0.0007968200000000 ] - [ -0.0017097000000000, 0.0009421100000000, -0.0005032100000000 ] - [ 0.0000090500000000, 0.0000963700000000, -0.0003140100000000 ] - [ -0.0017225300000000, 0.0002796400000000, 0.0017621000000000 ] - [ -0.0000530800000000, -0.0000860700000000, 0.0002639300000000 ] - [ 0.0000781000000000, -0.0000963400000000, -0.0004176300000000 ] - [ 0.0001056300000000, -0.0004934100000000, -0.0000105900000000 ] - [ 0.0000995100000000, 0.0005541700000000, -0.0000672300000000 ] - [ 0.0000712400000000, -0.0005611500000000, 0.0000646000000000 ] - [ 0.0001348700000000, 0.0004850500000000, 0.0000456800000000 ] - [ -0.0002895000000000, -0.0002746000000000, -0.0003412500000000 ] - [ 0.0003573800000000, -0.0002728400000000, 0.0004160300000000 ] - [ -0.0032796700000000, 0.0037380200000000, -0.0007025100000000 ] - [ -0.0002586800000000, 0.0002563700000000, -0.0003315800000000 ] - [ -0.0000022300000000, -0.0006074000000000, 0.0001381400000000 ] - [ 0.0000779300000000, 0.0004758400000000, -0.0002487700000000 ] - [ -0.0000442600000000, -0.0004788600000000, 0.0000991500000000 ] - [ -0.0000007100000000, 0.0005792000000000, -0.0001085400000000 ] - [ -0.0064638700000000, -0.0063367700000000, 0.0032978200000000 ] - [ 0.0002864200000000, -0.0002443400000000, 0.0003373700000000 ] - [ 0.0004703100000000, 0.0002139800000000, 0.0003315500000000 ] - [ -0.0003469400000000, 0.0002652600000000, -0.0003600200000000 ] - [ -0.0002873800000000, 0.0003739800000000, 0.0000080500000000 ] - [ 0.0011214000000000, 0.0016446500000000, 0.0018751700000000 ] - [ 0.0003321400000000, -0.0003636100000000, -0.0011574400000000 ] - [ -0.0002567900000000, -0.0003911100000000, 0.0000555100000000 ] - [ 0.0713460900000000, 0.0108748700000000, -0.0023027100000000 ] - [ -0.0001815300000000, 0.0005352800000000, -0.0003290600000000 ] - [ -0.0002130200000000, -0.0004989300000000, -0.0003162300000000 ] - [ 0.0003571000000000, -0.0006209700000000, 0.0004420500000000 ] - [ -0.0000906600000000, 0.0002757900000000, -0.0002255800000000 ] - [ 0.0004062800000000, -0.0020245600000000, -0.0022197200000000 ] - [ -0.0000931800000000, -0.0000586500000000, 0.0008430500000000 ] - [ -0.0001240700000000, -0.0002653500000000, -0.0002637000000000 ] - [ -0.0000377300000000, 0.0003415300000000, -0.0002081800000000 ] - [ -0.0025818400000000, -0.0026677600000000, -0.0007323900000000 ] - [ 0.0000436700000000, -0.0003223100000000, 0.0002293100000000 ] - [ -0.0001270900000000, -0.0003372800000000, -0.0002097400000000 ] - [ 0.0000475800000000, 0.0002654500000000, 0.0003085000000000 ] - [ -0.0002113800000000, 0.0001794400000000, -0.0002421000000000 ] - [ -0.0001821100000000, -0.0000574800000000, -0.0003475900000000 ] - [ 0.0002621700000000, -0.0002765300000000, 0.0001592100000000 ] - [ 0.0000409300000000, -0.0001565800000000, -0.0004949500000000 ] - [ -0.0008269200000000, -0.0012001200000000, 0.0032457000000000 ] - [ -0.0005631700000000, 0.0018151300000000, -0.0012466300000000 ] - [ 0.0000275000000000, 0.0001697800000000, -0.0004476700000000 ] - [ -0.0001968500000000, 0.0002198200000000, 0.0001079200000000 ] - [ 0.0002368800000000, 0.0003729700000000, 0.0000058500000000 ] - [ 0.0002873100000000, -0.0003899900000000, -0.0000148100000000 ] - [ -0.0002657800000000, -0.0042370300000000, 0.0004473100000000 ] - [ 0.0001758400000000, 0.0005394600000000, 0.0003290000000000 ] - [ -0.0001809400000000, 0.0004957300000000, -0.0003437300000000 ] - [ 0.0003416200000000, -0.0006761600000000, -0.0005055800000000 ] - [ 0.0001637500000000, -0.0005183100000000, 0.0003317900000000 ] - [ 0.0001317200000000, 0.0002180500000000, -0.0002446600000000 ] - [ 0.0000690200000000, 0.0002765600000000, 0.0001860300000000 ] - [ 0.0000456100000000, -0.0002768800000000, 0.0001736000000000 ] - [ 0.0005759000000000, 0.0019613800000000, -0.0016359400000000 ] - [ 0.0001076500000000, 0.0003732000000000, -0.0002177900000000 ] - [ -0.0002527500000000, 0.0004462500000000, 0.0001657100000000 ] - [ -0.0000068700000000, -0.0003393200000000, 0.0002280000000000 ] - [ -0.0016909200000000, 0.0056801300000000, 0.0013679700000000 ] - [ 0.0002164100000000, 0.0005381000000000, 0.0001273600000000 ] - [ -0.0001110300000000, 0.0001189800000000, -0.0002218000000000 ] - [ -0.0056769000000000, -0.0003832100000000, -0.0010112200000000 ] - [ 0.0001565800000000, -0.0001690000000000, 0.0002773500000000 ] - [ 0.0000734400000000, -0.0002209300000000, -0.0006717300000000 ] - [ -0.0000335300000000, -0.0002033900000000, 0.0004293500000000 ] - [ -0.0000688000000000, 0.0001779100000000, 0.0005040000000000 ] - [ 0.0001843500000000, 0.0001400400000000, -0.0002751200000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003257500000000, 0.0004902100000000, -0.0002366500000000 ] - [ -0.0231148500000000, 0.0413987200000000, 0.0088305400000000 ] - [ 0.0006146300000000, 0.0000281100000000, -0.0000499800000000 ] - [ -0.0003343500000000, -0.0006591100000000, -0.0004078500000000 ] - [ -0.0002991900000000, -0.0001147600000000, 0.0007354900000000 ] - [ 0.0211455700000000, 0.0666075700000000, -0.0167747800000000 ] - [ -0.0001815800000000, -0.0003799400000000, -0.0003175600000000 ] - [ -0.0002783600000000, 0.0000965900000000, 0.0008344700000000 ] - [ 0.0010822300000000, -0.0006412800000000, 0.0001014400000000 ] - [ -0.0000084500000000, 0.0001165700000000, 0.0003015400000000 ] - [ -0.0000038600000000, -0.0001339000000000, 0.0003553700000000 ] - [ 0.0104087800000000, 0.0277757700000000, 0.0224502700000000 ] - [ -0.0003429700000000, 0.0005796400000000, -0.0003018200000000 ] - [ 0.0003687100000000, 0.0004251500000000, 0.0001893400000000 ] - [ 0.0003150100000000, -0.0004180300000000, 0.0002525600000000 ] - [ 0.0005257400000000, 0.0029294300000000, 0.0002722800000000 ] - [ -0.0003281200000000, -0.0002300200000000, 0.0007778900000000 ] - [ 0.0003613400000000, 0.0000235700000000, -0.0007059800000000 ] - [ 0.0002979000000000, 0.0001238200000000, -0.0007900200000000 ] - [ -0.0007244600000000, 0.0029198300000000, 0.0019252500000000 ] - [ 0.0000460700000000, 0.0001175900000000, -0.0003371800000000 ] - [ 0.0003887600000000, 0.0037511300000000, 0.0009221800000000 ] - [ 0.0000908200000000, -0.0005911200000000, 0.0007690700000000 ] - [ 0.0000660700000000, -0.0001074400000000, -0.0003150500000000 ] - [ 0.0003129200000000, -0.0006237900000000, -0.0001604400000000 ] - [ -0.0001089900000000, 0.0007222700000000, -0.0000064000000000 ] - [ -0.0001184100000000, -0.0003156100000000, 0.0000324200000000 ] - [ 0.0000382300000000, 0.0004071800000000, 0.0000238400000000 ] - [ -0.0002580500000000, -0.0002393700000000, -0.0003140400000000 ] - [ 0.0003084800000000, -0.0001422700000000, 0.0001523400000000 ] - [ -0.0020413800000000, 0.0012361300000000, -0.0005292500000000 ] - [ -0.0002850000000000, 0.0002342900000000, -0.0003331800000000 ] - [ -0.0000082400000000, -0.0005330200000000, 0.0001225400000000 ] - [ 0.0000062300000000, 0.0003543200000000, -0.0000873000000000 ] - [ -0.0001529900000000, -0.0005264100000000, -0.0000795300000000 ] - [ 0.0000319700000000, 0.0006149000000000, -0.0001188900000000 ] - [ 0.0047583100000000, 0.0027731800000000, -0.0030180500000000 ] - [ 0.0002915700000000, -0.0002624600000000, 0.0003332900000000 ] - [ 0.0004018400000000, 0.0003512800000000, 0.0003848500000000 ] - [ -0.0003093300000000, 0.0002979800000000, -0.0004149000000000 ] - [ -0.0002762600000000, 0.0003774500000000, 0.0000199600000000 ] - [ -0.0012748100000000, -0.0015937900000000, 0.0025920100000000 ] - [ -0.0004000000000000, -0.0005156400000000, 0.0005233100000000 ] - [ -0.0002790600000000, -0.0003682900000000, 0.0000531200000000 ] - [ -0.0109205200000000, -0.1580611900000000, -0.0156789600000000 ] - [ -0.0001782400000000, 0.0005224200000000, -0.0003261500000000 ] - [ -0.0001962300000000, -0.0004597000000000, -0.0003113000000000 ] - [ 0.0000946400000000, -0.0002913800000000, 0.0001554200000000 ] - [ -0.0000877300000000, 0.0002828200000000, -0.0002164900000000 ] - [ 0.0011953200000000, 0.0031331800000000, 0.0033277300000000 ] - [ -0.0000681800000000, -0.0001430600000000, 0.0002486900000000 ] - [ -0.0000792800000000, -0.0002792800000000, -0.0002441000000000 ] - [ -0.0000138300000000, 0.0003271700000000, -0.0001885900000000 ] - [ 0.0041975000000000, -0.0008269800000000, 0.0009392300000000 ] - [ 0.0000085500000000, -0.0002971200000000, -0.0000127600000000 ] - [ -0.0001444700000000, -0.0003326000000000, -0.0002374500000000 ] - [ 0.0001309700000000, 0.0000438300000000, 0.0001508500000000 ] - [ -0.0001803500000000, 0.0002349300000000, -0.0002151500000000 ] - [ -0.0001641800000000, 0.0000348300000000, -0.0001540200000000 ] - [ 0.0002928100000000, -0.0003133900000000, 0.0001773900000000 ] - [ -0.0000000700000000, -0.0001674600000000, -0.0004692300000000 ] - [ -0.0006407800000000, -0.0013253900000000, -0.0006038300000000 ] - [ -0.0005860800000000, -0.0017681000000000, -0.0017604400000000 ] - [ 0.0000168700000000, 0.0001681800000000, -0.0004530600000000 ] - [ -0.0003518300000000, 0.0005354400000000, 0.0001424000000000 ] - [ 0.0002658000000000, 0.0003660900000000, -0.0000212000000000 ] - [ 0.0002735100000000, -0.0003850000000000, -0.0000198900000000 ] - [ 0.0021734700000000, 0.0064719400000000, -0.0001997900000000 ] - [ 0.0001851100000000, 0.0005355000000000, 0.0003278000000000 ] - [ -0.0002137800000000, 0.0006742500000000, -0.0003301500000000 ] - [ -0.0000329600000000, 0.0000011400000000, -0.0000713200000000 ] - [ 0.0001795800000000, -0.0005304800000000, 0.0003386000000000 ] - [ -0.0000413700000000, 0.0003731800000000, -0.0000234100000000 ] - [ 0.0000821900000000, 0.0002626500000000, 0.0002168800000000 ] - [ 0.0000855500000000, -0.0002635000000000, 0.0002261700000000 ] - [ -0.0024164800000000, 0.0023096200000000, -0.0035755000000000 ] - [ -0.0000015700000000, 0.0002953100000000, -0.0001950900000000 ] - [ -0.0000318500000000, 0.0004290900000000, 0.0002306400000000 ] - [ 0.0000034400000000, -0.0003380600000000, 0.0002238900000000 ] - [ -0.0022719300000000, 0.0048610800000000, 0.0016667200000000 ] - [ 0.0002479700000000, 0.0003357000000000, 0.0003630000000000 ] - [ -0.0002698800000000, 0.0002281700000000, -0.0002493200000000 ] - [ -0.0006018100000000, -0.0032411700000000, -0.0014360300000000 ] - [ 0.0001641800000000, -0.0001765200000000, 0.0002356100000000 ] - [ -0.0002067800000000, 0.0001055500000000, -0.0004986600000000 ] - [ -0.0000287200000000, -0.0002019000000000, 0.0004411800000000 ] - [ -0.0000950200000000, 0.0001800500000000, 0.0005135200000000 ] - [ -0.0001802700000000, 0.0003337200000000, -0.0000903500000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003220600000000, 0.0004792000000000, -0.0001882500000000 ] - [ 0.0226875800000000, -0.0389404400000000, -0.0079390700000000 ] - [ 0.0000276700000000, -0.0009726900000000, 0.0005041900000000 ] - [ -0.0002878800000000, -0.0003393200000000, -0.0000610600000000 ] - [ -0.0002791200000000, -0.0000804300000000, 0.0007802500000000 ] - [ -0.0194429500000000, -0.0640397200000000, 0.0144258700000000 ] - [ 0.0008037300000000, 0.0006036900000000, -0.0012351000000000 ] - [ -0.0003321800000000, 0.0001165700000000, 0.0007284300000000 ] - [ -0.0010515100000000, 0.0008581600000000, -0.0008158700000000 ] - [ -0.0000267600000000, 0.0001096500000000, 0.0003872900000000 ] - [ -0.0000355900000000, -0.0001160300000000, 0.0003641800000000 ] - [ -0.0101022800000000, -0.0275407500000000, -0.0224843700000000 ] - [ -0.0003173300000000, 0.0003958700000000, -0.0001678700000000 ] - [ 0.0002756800000000, 0.0005048600000000, 0.0002625100000000 ] - [ 0.0003216100000000, -0.0005369200000000, 0.0002391300000000 ] - [ -0.0011590500000000, -0.0038291800000000, -0.0006636300000000 ] - [ -0.0002723000000000, 0.0000209900000000, 0.0007705100000000 ] - [ 0.0002763500000000, -0.0002583100000000, -0.0008223300000000 ] - [ 0.0003269300000000, 0.0000922900000000, -0.0007292500000000 ] - [ 0.0001175000000000, -0.0026597100000000, -0.0003897300000000 ] - [ 0.0000017400000000, 0.0000924600000000, -0.0003403200000000 ] - [ -0.0004575600000000, -0.0034480600000000, -0.0001756300000000 ] - [ -0.0001346900000000, 0.0003670000000000, -0.0000857600000000 ] - [ 0.0000009900000000, -0.0001113900000000, -0.0004063300000000 ] - [ -0.0003204100000000, -0.0005507800000000, 0.0001606800000000 ] - [ 0.0001064300000000, 0.0004491100000000, 0.0000069300000000 ] - [ 0.0001239200000000, -0.0006535200000000, -0.0000358500000000 ] - [ -0.0000436700000000, 0.0005661200000000, -0.0000269500000000 ] - [ -0.0003504500000000, -0.0002555400000000, -0.0003543500000000 ] - [ 0.0002998000000000, -0.0003568000000000, 0.0005062900000000 ] - [ 0.0027032700000000, -0.0007649000000000, 0.0012103900000000 ] - [ -0.0003235100000000, 0.0002609000000000, -0.0003341000000000 ] - [ 0.0000034500000000, -0.0006360300000000, -0.0001265200000000 ] - [ -0.0000063300000000, 0.0008206400000000, 0.0000831500000000 ] - [ 0.0001560000000000, -0.0004475800000000, 0.0000796600000000 ] - [ -0.0000328200000000, 0.0003586400000000, 0.0001188300000000 ] - [ -0.0054759600000000, -0.0033277600000000, 0.0024091900000000 ] - [ 0.0003213400000000, -0.0002338300000000, 0.0003304200000000 ] - [ 0.0002067800000000, 0.0001505600000000, 0.0002775600000000 ] - [ -0.0003008800000000, 0.0001985100000000, -0.0002573300000000 ] - [ -0.0002534800000000, 0.0003663800000000, 0.0000019000000000 ] - [ 0.0018126300000000, 0.0023289900000000, -0.0026132000000000 ] - [ 0.0009477200000000, -0.0002532400000000, -0.0005345500000000 ] - [ -0.0002426200000000, -0.0004211400000000, -0.0000467700000000 ] - [ 0.0109959500000000, 0.1541143400000000, 0.0159113100000000 ] - [ -0.0001867100000000, 0.0005347500000000, -0.0003195600000000 ] - [ -0.0001619700000000, -0.0005699100000000, -0.0003239900000000 ] - [ 0.0002789300000000, -0.0007570000000000, 0.0004862100000000 ] - [ -0.0000709700000000, 0.0002721200000000, -0.0002202900000000 ] - [ -0.0010415000000000, -0.0025197700000000, -0.0028582300000000 ] - [ 0.0002032200000000, -0.0003987400000000, 0.0001924200000000 ] - [ -0.0000451300000000, -0.0002983300000000, -0.0002007400000000 ] - [ -0.0000003900000000, 0.0003513400000000, -0.0002216900000000 ] - [ -0.0041515400000000, 0.0014827200000000, -0.0005057700000000 ] - [ -0.0000008300000000, -0.0003549800000000, 0.0004140300000000 ] - [ 0.0001103700000000, -0.0003458800000000, -0.0001715000000000 ] - [ 0.0002161100000000, 0.0002764900000000, 0.0003202600000000 ] - [ -0.0001667000000000, 0.0000959600000000, -0.0002674500000000 ] - [ -0.0001890800000000, -0.0003742300000000, -0.0003223500000000 ] - [ 0.0000705900000000, -0.0000306400000000, 0.0003138900000000 ] - [ 0.0000608900000000, -0.0001532900000000, -0.0004818200000000 ] - [ 0.0005496100000000, 0.0009172900000000, 0.0015430200000000 ] - [ 0.0004981800000000, 0.0021200700000000, 0.0026898800000000 ] - [ 0.0000565600000000, 0.0001789200000000, -0.0004797100000000 ] - [ -0.0001942200000000, 0.0002359700000000, -0.0001517300000000 ] - [ 0.0002721500000000, 0.0003898600000000, 0.0000024200000000 ] - [ 0.0002845100000000, -0.0003895800000000, -0.0000077700000000 ] - [ -0.0026690900000000, -0.0070614100000000, 0.0002195900000000 ] - [ 0.0002016200000000, 0.0005212400000000, 0.0003077500000000 ] - [ -0.0001717700000000, 0.0003554700000000, -0.0003117200000000 ] - [ -0.0003358200000000, -0.0010691800000000, -0.0005803100000000 ] - [ 0.0001850100000000, -0.0005024200000000, 0.0003255200000000 ] - [ -0.0000913300000000, 0.0001844700000000, -0.0004221500000000 ] - [ 0.0000741400000000, 0.0002860400000000, 0.0002200000000000 ] - [ 0.0000486300000000, -0.0002812000000000, 0.0001912100000000 ] - [ 0.0022174400000000, -0.0028442500000000, 0.0030744300000000 ] - [ -0.0000301600000000, 0.0003753900000000, -0.0002254900000000 ] - [ 0.0000189100000000, 0.0002447200000000, 0.0001726200000000 ] - [ 0.0000115700000000, -0.0003319700000000, 0.0002120700000000 ] - [ 0.0022202800000000, -0.0054190900000000, -0.0020423300000000 ] - [ 0.0001089900000000, 0.0000006600000000, 0.0001131100000000 ] - [ -0.0000966400000000, 0.0001103900000000, -0.0002300900000000 ] - [ 0.0002882600000000, 0.0028807100000000, 0.0009608800000000 ] - [ 0.0001733100000000, -0.0001496800000000, 0.0002319300000000 ] - [ 0.0002722200000000, -0.0004783200000000, -0.0004244100000000 ] - [ -0.0000534600000000, -0.0001525700000000, 0.0005028700000000 ] - [ 0.0000425400000000, 0.0001723200000000, 0.0003948500000000 ] - [ 0.0002476100000000, 0.0000146400000000, -0.0008443400000000 ]- atom: 45 displacement: [ -0.0002562758177658, 0.0000000000000000, 0.0099967155958959 ] forces: - [ -0.0002997300000000, 0.0004699700000000, -0.0002828800000000 ] - [ -0.0068367700000000, 0.0099716800000000, 0.0107648900000000 ] - [ 0.0004869600000000, -0.0003365100000000, 0.0014587400000000 ] - [ -0.0002555700000000, -0.0005552200000000, -0.0002473200000000 ] - [ -0.0002791000000000, -0.0001193800000000, 0.0007594400000000 ] - [ -0.0048377400000000, -0.0211218500000000, 0.0087845100000000 ] - [ 0.0008656500000000, -0.0000564300000000, -0.0004728700000000 ] - [ -0.0002920600000000, 0.0001077900000000, 0.0008514500000000 ] - [ -0.0002821000000000, 0.0000901000000000, -0.0006956900000000 ] - [ -0.0000160400000000, 0.0001116300000000, 0.0003129100000000 ] - [ -0.0000221200000000, -0.0001344300000000, 0.0003607400000000 ] - [ 0.0092048700000000, 0.0316586600000000, 0.0352425300000000 ] - [ -0.0005128600000000, 0.0007355700000000, -0.0002207100000000 ] - [ 0.0003157000000000, 0.0005008900000000, 0.0001589500000000 ] - [ 0.0003150400000000, -0.0004346800000000, 0.0002367300000000 ] - [ -0.0004977900000000, -0.0006213200000000, 0.0012555200000000 ] - [ -0.0002197000000000, -0.0001901600000000, 0.0004114300000000 ] - [ 0.0003438500000000, -0.0001133000000000, -0.0007224600000000 ] - [ 0.0003048500000000, 0.0001123500000000, -0.0007645800000000 ] - [ 0.0010601900000000, 0.0011798000000000, 0.0009821100000000 ] - [ 0.0000426100000000, 0.0001000500000000, -0.0003488600000000 ] - [ -0.0011796700000000, 0.0002609800000000, 0.0000143800000000 ] - [ -0.0000165300000000, -0.0001807700000000, 0.0006660000000000 ] - [ 0.0000305400000000, -0.0001036500000000, -0.0003805500000000 ] - [ -0.0000458000000000, -0.0005574500000000, -0.0000170100000000 ] - [ -0.0002353800000000, 0.0006428400000000, 0.0000410500000000 ] - [ 0.0001376000000000, -0.0005223400000000, -0.0000380600000000 ] - [ -0.0001101400000000, 0.0005314900000000, -0.0000086600000000 ] - [ -0.0002833100000000, -0.0002416400000000, -0.0003312300000000 ] - [ 0.0002870700000000, -0.0001769400000000, 0.0001095700000000 ] - [ 0.0017043200000000, -0.0009996900000000, 0.0000380400000000 ] - [ -0.0003154800000000, 0.0002383600000000, -0.0003397500000000 ] - [ 0.0000066000000000, -0.0005896300000000, 0.0000226300000000 ] - [ 0.0000171800000000, 0.0005877800000000, -0.0000369300000000 ] - [ 0.0000296100000000, -0.0004955300000000, 0.0000020000000000 ] - [ -0.0000560200000000, 0.0005404300000000, 0.0000440500000000 ] - [ -0.0045444800000000, -0.0038881100000000, 0.0004496700000000 ] - [ 0.0003014200000000, -0.0002518900000000, 0.0003356700000000 ] - [ 0.0003214800000000, 0.0002575500000000, 0.0003222200000000 ] - [ -0.0002571600000000, 0.0002539100000000, -0.0003143500000000 ] - [ -0.0002634200000000, 0.0003739000000000, 0.0000105700000000 ] - [ -0.0018739800000000, 0.0024831000000000, 0.0028969200000000 ] - [ 0.0012561000000000, -0.0001561600000000, 0.0015740100000000 ] - [ -0.0002459100000000, -0.0003921800000000, 0.0000086100000000 ] - [ 0.0042191600000000, -0.0157190100000000, -0.0684707500000000 ] - [ -0.0001786800000000, 0.0005327500000000, -0.0003147500000000 ] - [ -0.0001797500000000, -0.0005066700000000, -0.0002983100000000 ] - [ 0.0000727800000000, -0.0003644100000000, 0.0003416700000000 ] - [ -0.0000721200000000, 0.0002897300000000, -0.0002075700000000 ] - [ 0.0022605400000000, 0.0053538700000000, 0.0040560200000000 ] - [ -0.0000754300000000, -0.0001452200000000, 0.0006621300000000 ] - [ -0.0000585600000000, -0.0002798500000000, -0.0002207900000000 ] - [ 0.0000168600000000, 0.0003405000000000, -0.0001885900000000 ] - [ 0.0014958700000000, 0.0006325400000000, -0.0013548500000000 ] - [ -0.0000607300000000, -0.0004218700000000, 0.0001520900000000 ] - [ -0.0000707500000000, -0.0003266700000000, -0.0002087400000000 ] - [ 0.0000498900000000, -0.0000251300000000, 0.0004377100000000 ] - [ -0.0001493300000000, 0.0001721400000000, -0.0001610500000000 ] - [ -0.0002875000000000, -0.0001326700000000, -0.0003425600000000 ] - [ 0.0002591500000000, -0.0002081600000000, 0.0002259800000000 ] - [ 0.0000367400000000, -0.0001533700000000, -0.0004763600000000 ] - [ -0.0020726300000000, -0.0014714700000000, 0.0031593600000000 ] - [ 0.0025579100000000, -0.0023185000000000, 0.0032285800000000 ] - [ 0.0000590900000000, 0.0001705200000000, -0.0004747100000000 ] - [ -0.0003811500000000, 0.0008205200000000, 0.0001050000000000 ] - [ 0.0002679100000000, 0.0003753600000000, 0.0000105200000000 ] - [ 0.0002781700000000, -0.0003881600000000, -0.0000203400000000 ] - [ -0.0015376900000000, -0.0038157800000000, -0.0004227000000000 ] - [ 0.0001842900000000, 0.0005393800000000, 0.0003189500000000 ] - [ -0.0001709800000000, 0.0005241600000000, -0.0004042500000000 ] - [ 0.0000149800000000, -0.0002750300000000, -0.0004818300000000 ] - [ 0.0001874100000000, -0.0005233800000000, 0.0003383900000000 ] - [ -0.0002655300000000, 0.0003477700000000, -0.0001997200000000 ] - [ 0.0000549000000000, 0.0002767700000000, 0.0002041900000000 ] - [ 0.0000852400000000, -0.0002713700000000, 0.0002431100000000 ] - [ 0.0010241800000000, -0.0033732100000000, -0.0003786000000000 ] - [ -0.0000534500000000, 0.0003275100000000, -0.0002763200000000 ] - [ -0.0000897500000000, 0.0004078900000000, 0.0001898500000000 ] - [ 0.0000140000000000, -0.0003350300000000, 0.0002248800000000 ] - [ -0.0003658800000000, 0.0011335500000000, -0.0008931500000000 ] - [ 0.0002551800000000, 0.0000177100000000, 0.0002590400000000 ] - [ -0.0004413800000000, 0.0002555400000000, -0.0004341400000000 ] - [ -0.0002502500000000, -0.0003305500000000, -0.0010379300000000 ] - [ 0.0002162500000000, -0.0002301100000000, 0.0001400600000000 ] - [ 0.0000313000000000, -0.0001702900000000, -0.0004986100000000 ] - [ -0.0000371100000000, -0.0001814000000000, 0.0004735900000000 ] - [ -0.0000274400000000, 0.0001791500000000, 0.0004510100000000 ] - [ -0.0000684700000000, 0.0003004000000000, -0.0003490100000000 ]- atom: 45 displacement: [ 0.0002562758177658, 0.0000000000000000, -0.0099967155958959 ] forces: - [ -0.0003551000000000, 0.0005015600000000, -0.0001404900000000 ] - [ 0.0075151700000000, -0.0089870800000000, -0.0103262800000000 ] - [ 0.0001605400000000, -0.0006197900000000, -0.0010450000000000 ] - [ -0.0003719500000000, -0.0004521900000000, -0.0002203400000000 ] - [ -0.0002935200000000, -0.0000732100000000, 0.0007573800000000 ] - [ 0.0054262900000000, 0.0209586100000000, -0.0102445700000000 ] - [ -0.0002655200000000, 0.0002697900000000, -0.0010664100000000 ] - [ -0.0003127600000000, 0.0001004500000000, 0.0007131800000000 ] - [ 0.0003137400000000, 0.0001285300000000, -0.0000279300000000 ] - [ -0.0000098700000000, 0.0001121900000000, 0.0003738300000000 ] - [ -0.0000117100000000, -0.0001128700000000, 0.0003627600000000 ] - [ -0.0086318000000000, -0.0306371000000000, -0.0346093700000000 ] - [ -0.0001576600000000, 0.0002480400000000, -0.0002560700000000 ] - [ 0.0003367900000000, 0.0004267700000000, 0.0002951500000000 ] - [ 0.0003287700000000, -0.0005211500000000, 0.0002608700000000 ] - [ -0.0001321900000000, -0.0002475700000000, -0.0016767600000000 ] - [ -0.0003924300000000, -0.0000225500000000, 0.0011466400000000 ] - [ 0.0002988000000000, -0.0001223000000000, -0.0008035000000000 ] - [ 0.0003252400000000, 0.0001051500000000, -0.0007554200000000 ] - [ -0.0016687800000000, -0.0009560500000000, 0.0004846300000000 ] - [ 0.0000022500000000, 0.0001020700000000, -0.0003293700000000 ] - [ 0.0011129000000000, -0.0000367900000000, 0.0007223400000000 ] - [ -0.0000208200000000, -0.0000417700000000, 0.0000160300000000 ] - [ 0.0000335900000000, -0.0001065800000000, -0.0003417600000000 ] - [ 0.0000393500000000, -0.0006114400000000, 0.0000173700000000 ] - [ 0.0002375900000000, 0.0005321500000000, -0.0000436900000000 ] - [ -0.0001338500000000, -0.0004501100000000, 0.0000359600000000 ] - [ 0.0001124100000000, 0.0004376100000000, 0.0000061200000000 ] - [ -0.0003271300000000, -0.0002516800000000, -0.0003397800000000 ] - [ 0.0003189300000000, -0.0003209600000000, 0.0005533700000000 ] - [ -0.0011130800000000, 0.0014982300000000, 0.0005985200000000 ] - [ -0.0002895200000000, 0.0002547700000000, -0.0003292000000000 ] - [ -0.0000065800000000, -0.0005818600000000, -0.0000257000000000 ] - [ -0.0000207500000000, 0.0005864300000000, 0.0000349200000000 ] - [ -0.0000329400000000, -0.0004789500000000, -0.0000026100000000 ] - [ 0.0000552400000000, 0.0004322300000000, -0.0000442200000000 ] - [ 0.0039085900000000, 0.0033656900000000, -0.0011353600000000 ] - [ 0.0003093300000000, -0.0002409600000000, 0.0003302000000000 ] - [ 0.0002875900000000, 0.0002394000000000, 0.0003412300000000 ] - [ -0.0003521200000000, 0.0002407100000000, -0.0003547900000000 ] - [ -0.0002666600000000, 0.0003736300000000, 0.0000160500000000 ] - [ 0.0023898300000000, -0.0016638100000000, -0.0028579300000000 ] - [ -0.0007443600000000, -0.0006092400000000, -0.0016464500000000 ] - [ -0.0002754000000000, -0.0004051300000000, 0.0000015400000000 ] - [ -0.0044278000000000, 0.0153136700000000, 0.0679224200000000 ] - [ -0.0001846700000000, 0.0005305600000000, -0.0003306700000000 ] - [ -0.0001759700000000, -0.0005248000000000, -0.0003335400000000 ] - [ 0.0003041700000000, -0.0006925900000000, 0.0003006100000000 ] - [ -0.0000851200000000, 0.0002653500000000, -0.0002260600000000 ] - [ -0.0021039300000000, -0.0047742600000000, -0.0036173800000000 ] - [ 0.0002125800000000, -0.0004036600000000, -0.0002217800000000 ] - [ -0.0000591000000000, -0.0003013100000000, -0.0002232200000000 ] - [ -0.0000279900000000, 0.0003398000000000, -0.0002200000000000 ] - [ -0.0014703800000000, 0.0000327400000000, 0.0017895200000000 ] - [ 0.0000613400000000, -0.0002255700000000, 0.0002435900000000 ] - [ 0.0000344000000000, -0.0003534000000000, -0.0001957500000000 ] - [ 0.0002937800000000, 0.0003554300000000, 0.0000386700000000 ] - [ -0.0001965800000000, 0.0001596900000000, -0.0003230000000000 ] - [ -0.0000670800000000, -0.0002055300000000, -0.0001350200000000 ] - [ 0.0001056800000000, -0.0001375100000000, 0.0002640900000000 ] - [ 0.0000248100000000, -0.0001617200000000, -0.0004800700000000 ] - [ 0.0020439500000000, 0.0011222300000000, -0.0023000800000000 ] - [ -0.0026411100000000, 0.0026836000000000, -0.0023048300000000 ] - [ 0.0000130100000000, 0.0001740100000000, -0.0004576300000000 ] - [ -0.0001708600000000, -0.0000400500000000, -0.0001077700000000 ] - [ 0.0002735600000000, 0.0003861300000000, -0.0000324700000000 ] - [ 0.0002851200000000, -0.0003917600000000, -0.0000123300000000 ] - [ 0.0009924200000000, 0.0030283700000000, 0.0004573900000000 ] - [ 0.0002052500000000, 0.0005222600000000, 0.0003143800000000 ] - [ -0.0002188000000000, 0.0005142000000000, -0.0002362900000000 ] - [ -0.0003838500000000, -0.0007719000000000, -0.0001595600000000 ] - [ 0.0001780600000000, -0.0005114400000000, 0.0003263800000000 ] - [ 0.0001400500000000, 0.0002057800000000, -0.0002431900000000 ] - [ 0.0000981200000000, 0.0002720300000000, 0.0002259500000000 ] - [ 0.0000432200000000, -0.0002718800000000, 0.0001633800000000 ] - [ -0.0011979800000000, 0.0028618700000000, -0.0000610900000000 ] - [ 0.0000294700000000, 0.0003463000000000, -0.0001413400000000 ] - [ 0.0000725400000000, 0.0002687100000000, 0.0002099300000000 ] - [ -0.0000047800000000, -0.0003375300000000, 0.0002111000000000 ] - [ 0.0003700000000000, -0.0018089400000000, 0.0004750700000000 ] - [ 0.0000962400000000, 0.0003169700000000, 0.0002269200000000 ] - [ 0.0000793900000000, 0.0000824300000000, -0.0000411900000000 ] - [ -0.0000829900000000, -0.0000115100000000, 0.0005474200000000 ] - [ 0.0001147100000000, -0.0000928500000000, 0.0003288200000000 ] - [ 0.0000324100000000, -0.0001782500000000, -0.0004233200000000 ] - [ -0.0000472500000000, -0.0001716200000000, 0.0004719000000000 ] - [ -0.0000225200000000, 0.0001763500000000, 0.0004526400000000 ] - [ 0.0001380500000000, 0.0000467200000000, -0.0005876500000000 ]- atom: 49 displacement: [ 0.0099999862199687, 0.0000000000000000, 0.0000166012179150 ] forces: - [ 0.0006194100000000, 0.0012249000000000, 0.0017928900000000 ] - [ 0.0003350900000000, 0.0004815800000000, 0.0002341800000000 ] - [ 0.0002794500000000, -0.0006610400000000, 0.0002803700000000 ] - [ -0.0002021300000000, -0.0008681100000000, -0.0000414900000000 ] - [ -0.0004704200000000, -0.0011039500000000, 0.0018503800000000 ] - [ 0.0001574800000000, -0.0000577700000000, -0.0008467700000000 ] - [ 0.0002805200000000, 0.0001475800000000, -0.0005753600000000 ] - [ -0.0000398700000000, 0.0003864700000000, 0.0006872500000000 ] - [ 0.0000708100000000, 0.0001657900000000, -0.0004037200000000 ] - [ -0.0002888600000000, -0.0000160900000000, 0.0000050500000000 ] - [ 0.0131401500000000, -0.0107416200000000, 0.0093910300000000 ] - [ -0.0000070700000000, -0.0000927600000000, -0.0003948600000000 ] - [ -0.0001427600000000, 0.0002514700000000, -0.0005416300000000 ] - [ 0.0004265300000000, 0.0001789900000000, -0.0000530100000000 ] - [ 0.0024604300000000, 0.0007067400000000, -0.0086563400000000 ] - [ -0.0003969900000000, -0.0006231200000000, -0.0002433700000000 ] - [ -0.0003541100000000, -0.0001291200000000, 0.0007056700000000 ] - [ 0.0002184200000000, 0.0000317800000000, -0.0009995000000000 ] - [ 0.0559890800000000, 0.0096764400000000, 0.0310044100000000 ] - [ -0.0004375200000000, 0.0001587900000000, 0.0007205300000000 ] - [ 0.0025675900000000, -0.0002807400000000, 0.0003602200000000 ] - [ 0.0000233900000000, 0.0001297200000000, 0.0003173600000000 ] - [ -0.0000625200000000, -0.0001046200000000, 0.0003243500000000 ] - [ 0.0002941000000000, -0.0005820200000000, -0.0009848000000000 ] - [ 0.0000287000000000, -0.0005435400000000, -0.0000279800000000 ] - [ 0.0043605200000000, 0.0038160200000000, 0.0006458300000000 ] - [ 0.0000654400000000, -0.0004928000000000, -0.0001337400000000 ] - [ -0.0000463900000000, 0.0003592200000000, 0.0000978700000000 ] - [ -0.0003466200000000, -0.0002189500000000, 0.0006486300000000 ] - [ 0.0002908000000000, -0.0002566300000000, 0.0004360700000000 ] - [ 0.0002992700000000, 0.0002556700000000, 0.0003057600000000 ] - [ -0.0002349800000000, 0.0002811200000000, -0.0003670100000000 ] - [ -0.0002128000000000, -0.0006491100000000, -0.0004377900000000 ] - [ -0.0000350300000000, 0.0005513500000000, 0.0001045200000000 ] - [ -0.0000429700000000, -0.0004816700000000, -0.0000815900000000 ] - [ 0.0000208600000000, 0.0005733100000000, 0.0001814200000000 ] - [ -0.0003197700000000, -0.0002527700000000, -0.0003293900000000 ] - [ 0.0003001100000000, -0.0002242300000000, 0.0004531000000000 ] - [ 0.0003539200000000, 0.0002990700000000, 0.0001806500000000 ] - [ -0.0006748300000000, 0.0003802500000000, -0.0002859000000000 ] - [ 0.0029089800000000, -0.0027904800000000, 0.0007814600000000 ] - [ 0.0002717100000000, 0.0003865300000000, -0.0000096600000000 ] - [ 0.0002642100000000, -0.0003918900000000, -0.0000545300000000 ] - [ -0.0003592200000000, -0.0004134600000000, 0.0000500400000000 ] - [ 0.0001903900000000, 0.0005051100000000, 0.0003348300000000 ] - [ -0.0005435500000000, -0.0005862400000000, 0.0018516300000000 ] - [ -0.0000179600000000, -0.0006594900000000, -0.0004633700000000 ] - [ 0.0002561000000000, -0.0005136900000000, 0.0003222000000000 ] - [ -0.0895546900000000, -0.0025223200000000, -0.0390690100000000 ] - [ 0.0002641700000000, 0.0002417700000000, 0.0003310700000000 ] - [ 0.0001777100000000, -0.0002642600000000, 0.0003019200000000 ] - [ -0.0000102800000000, -0.0001846000000000, -0.0000378100000000 ] - [ -0.0017315800000000, 0.0007907600000000, -0.0021832000000000 ] - [ 0.0001969700000000, 0.0003258500000000, 0.0003400300000000 ] - [ 0.0000340400000000, -0.0002627400000000, 0.0001652800000000 ] - [ -0.0001246300000000, -0.0002811500000000, -0.0001582300000000 ] - [ 0.0002322800000000, 0.0000274300000000, 0.0005380600000000 ] - [ 0.0025896500000000, -0.0006403100000000, -0.0028193100000000 ] - [ -0.0000400600000000, -0.0001840900000000, -0.0002928000000000 ] - [ -0.0001948600000000, -0.0008103300000000, 0.0006448200000000 ] - [ -0.0000430000000000, -0.0002028900000000, -0.0002465900000000 ] - [ -0.0000758600000000, -0.0001896600000000, 0.0004979100000000 ] - [ 0.0002492400000000, 0.0004043900000000, 0.0004974200000000 ] - [ -0.0007557000000000, 0.0019879800000000, -0.0011920900000000 ] - [ -0.0002830200000000, 0.0003970900000000, 0.0001304100000000 ] - [ -0.0006519600000000, 0.0000450500000000, 0.0003063500000000 ] - [ -0.0004055900000000, -0.0009332400000000, -0.0009132000000000 ] - [ -0.0002905700000000, -0.0003670800000000, 0.0000028700000000 ] - [ 0.0000044300000000, 0.0005586500000000, 0.0001104200000000 ] - [ -0.0001905500000000, 0.0005222800000000, -0.0003447000000000 ] - [ -0.0001675400000000, -0.0005099900000000, -0.0003049200000000 ] - [ -0.0004661300000000, 0.0018099500000000, 0.0014185300000000 ] - [ -0.0000336800000000, 0.0002653600000000, -0.0002190000000000 ] - [ 0.0000374900000000, 0.0003694600000000, 0.0003259000000000 ] - [ -0.0001130500000000, -0.0003619500000000, 0.0006333700000000 ] - [ 0.0000010200000000, -0.0002944900000000, -0.0001417600000000 ] - [ 0.0001803300000000, 0.0005553800000000, -0.0002259300000000 ] - [ -0.0000804500000000, 0.0003454700000000, 0.0002902600000000 ] - [ 0.0063135800000000, 0.0005352900000000, 0.0058655200000000 ] - [ 0.0000489600000000, -0.0003497100000000, -0.0001642400000000 ] - [ 0.0001867200000000, 0.0001752400000000, 0.0002494800000000 ] - [ -0.0002250300000000, 0.0002300600000000, -0.0002586900000000 ] - [ -0.0001649000000000, -0.0001479200000000, -0.0002117200000000 ] - [ 0.0004502000000000, -0.0006929700000000, 0.0003335300000000 ] - [ 0.0000865400000000, -0.0001815500000000, -0.0004031200000000 ] - [ -0.0000968700000000, -0.0000759600000000, 0.0007581600000000 ] - [ 0.0032986000000000, 0.0024734200000000, -0.0021330600000000 ] - [ 0.0001109600000000, 0.0001843100000000, -0.0005578100000000 ]- atom: 49 displacement: [ -0.0099999862199687, 0.0000000000000000, -0.0000166012179150 ] forces: - [ -0.0013000200000000, -0.0002457600000000, -0.0021904300000000 ] - [ 0.0003145500000000, 0.0005147200000000, 0.0002595900000000 ] - [ 0.0003911800000000, -0.0002973900000000, 0.0001831400000000 ] - [ -0.0004476900000000, -0.0001395300000000, -0.0004323700000000 ] - [ -0.0000919100000000, 0.0009200800000000, -0.0003330300000000 ] - [ 0.0004162600000000, -0.0001367800000000, -0.0006474600000000 ] - [ 0.0003309100000000, 0.0000645500000000, -0.0009495400000000 ] - [ -0.0005671200000000, -0.0001976200000000, 0.0008592900000000 ] - [ -0.0000495800000000, 0.0000293900000000, -0.0003172800000000 ] - [ 0.0002745800000000, 0.0002302500000000, 0.0006959700000000 ] - [ -0.0131988400000000, 0.0105041100000000, -0.0086224300000000 ] - [ 0.0000157300000000, -0.0001133100000000, -0.0002941500000000 ] - [ -0.0005419700000000, 0.0007491600000000, 0.0000856100000000 ] - [ 0.0002390100000000, 0.0007703400000000, 0.0005223700000000 ] - [ -0.0017803700000000, -0.0017624900000000, 0.0088835300000000 ] - [ -0.0002687300000000, -0.0003344100000000, -0.0001914400000000 ] - [ -0.0002412500000000, -0.0000810800000000, 0.0008297800000000 ] - [ 0.0004118700000000, -0.0002506900000000, -0.0005125500000000 ] - [ -0.0528065200000000, -0.0089236900000000, -0.0309032300000000 ] - [ -0.0001608100000000, 0.0000210300000000, 0.0007441300000000 ] - [ -0.0025288200000000, 0.0004631200000000, -0.0009835800000000 ] - [ -0.0000770300000000, 0.0000807100000000, 0.0004135400000000 ] - [ 0.0000308500000000, -0.0001075600000000, 0.0003763400000000 ] - [ -0.0002462400000000, 0.0004064900000000, 0.0002542000000000 ] - [ -0.0000345600000000, -0.0006314400000000, 0.0000240900000000 ] - [ -0.0045315300000000, -0.0027676500000000, -0.0006615600000000 ] - [ -0.0000666700000000, -0.0004759300000000, 0.0001302000000000 ] - [ 0.0000422600000000, 0.0006121800000000, -0.0000999700000000 ] - [ -0.0002488000000000, -0.0002808000000000, -0.0012731300000000 ] - [ 0.0003256300000000, -0.0002484000000000, 0.0002152500000000 ] - [ 0.0003081100000000, 0.0002460300000000, 0.0003508000000000 ] - [ -0.0003829600000000, 0.0002231200000000, -0.0002919900000000 ] - [ 0.0002169700000000, -0.0005257500000000, 0.0004365600000000 ] - [ 0.0000396000000000, 0.0006308300000000, -0.0001043300000000 ] - [ 0.0000448300000000, -0.0004916700000000, 0.0000809700000000 ] - [ -0.0000099900000000, 0.0003925500000000, -0.0001824700000000 ] - [ -0.0002893900000000, -0.0002497500000000, -0.0003290200000000 ] - [ 0.0003174100000000, -0.0002798800000000, 0.0002029700000000 ] - [ 0.0002621900000000, 0.0002025400000000, 0.0004673000000000 ] - [ 0.0000640000000000, 0.0001260500000000, -0.0003740100000000 ] - [ -0.0033720300000000, 0.0034903700000000, -0.0007400600000000 ] - [ 0.0002763800000000, 0.0003879900000000, -0.0000208500000000 ] - [ 0.0002763800000000, -0.0003713600000000, 0.0000370000000000 ] - [ -0.0001681400000000, -0.0003775200000000, -0.0000425800000000 ] - [ 0.0001681200000000, 0.0005158300000000, 0.0003178600000000 ] - [ 0.0001637800000000, 0.0016603500000000, -0.0025091900000000 ] - [ -0.0003302500000000, -0.0003757500000000, -0.0001778700000000 ] - [ 0.0001209600000000, -0.0005422500000000, 0.0003180700000000 ] - [ 0.0868701400000000, 0.0027462500000000, 0.0370770700000000 ] - [ -0.0001276500000000, 0.0003107100000000, 0.0000886500000000 ] - [ -0.0000524000000000, -0.0002784300000000, 0.0001337100000000 ] - [ -0.0001071400000000, -0.0003930100000000, -0.0004059400000000 ] - [ 0.0017390500000000, -0.0001114500000000, 0.0017916000000000 ] - [ -0.0001715200000000, 0.0003517000000000, 0.0001002300000000 ] - [ -0.0000352900000000, -0.0003911000000000, 0.0002323200000000 ] - [ 0.0000961600000000, -0.0003988300000000, -0.0002473600000000 ] - [ 0.0001140100000000, 0.0003050800000000, -0.0000671900000000 ] - [ -0.0029164300000000, 0.0009487100000000, 0.0023290000000000 ] - [ -0.0003171000000000, -0.0001499100000000, -0.0001844800000000 ] - [ 0.0005478500000000, 0.0004902100000000, -0.0001227500000000 ] - [ 0.0001069000000000, -0.0001181700000000, -0.0007042400000000 ] - [ 0.0000149300000000, -0.0001850400000000, 0.0003894100000000 ] - [ -0.0003349000000000, -0.0000629000000000, 0.0004365500000000 ] - [ 0.0008507800000000, -0.0016183800000000, 0.0002504400000000 ] - [ -0.0002679400000000, 0.0003833300000000, -0.0001316800000000 ] - [ 0.0011951600000000, 0.0007196000000000, -0.0003192800000000 ] - [ 0.0009710300000000, 0.0001428300000000, 0.0008386900000000 ] - [ -0.0002477200000000, -0.0003711400000000, 0.0000259900000000 ] - [ 0.0003859300000000, 0.0005000400000000, 0.0005231600000000 ] - [ -0.0001976200000000, 0.0005213500000000, -0.0002973100000000 ] - [ -0.0001993600000000, -0.0005388700000000, -0.0003463200000000 ] - [ 0.0008279900000000, -0.0028381900000000, -0.0007696000000000 ] - [ -0.0000955900000000, 0.0002914000000000, -0.0002198100000000 ] - [ 0.0001146000000000, 0.0001789800000000, 0.0001052400000000 ] - [ 0.0002516000000000, -0.0001780900000000, -0.0002211100000000 ] - [ -0.0001649900000000, -0.0002531000000000, -0.0002899700000000 ] - [ -0.0002104000000000, 0.0001117800000000, -0.0001926800000000 ] - [ 0.0000739900000000, 0.0003249900000000, 0.0001116600000000 ] - [ -0.0062443500000000, -0.0011926300000000, -0.0053856600000000 ] - [ -0.0000544200000000, -0.0003215600000000, -0.0002507900000000 ] - [ 0.0001667200000000, 0.0001644300000000, 0.0002367600000000 ] - [ -0.0001504600000000, 0.0001141900000000, -0.0002275200000000 ] - [ -0.0001836200000000, -0.0001851800000000, -0.0002738400000000 ] - [ -0.0001157300000000, 0.0003717200000000, 0.0001322400000000 ] - [ -0.0000250000000000, -0.0001756700000000, -0.0005165800000000 ] - [ 0.0000085400000000, -0.0002810400000000, 0.0001836700000000 ] - [ -0.0033786800000000, -0.0021376200000000, 0.0030545400000000 ] - [ -0.0000474200000000, 0.0001696900000000, -0.0003709300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011325700000000, 0.0012322400000000, -0.0005041000000000 ] - [ 0.0002567800000000, 0.0004196100000000, 0.0002294000000000 ] - [ 0.0002854200000000, -0.0004714500000000, 0.0002020600000000 ] - [ -0.0005015800000000, 0.0001778900000000, -0.0002420300000000 ] - [ -0.0011992300000000, 0.0012472700000000, 0.0015327800000000 ] - [ 0.0003131200000000, -0.0001334500000000, -0.0008703200000000 ] - [ 0.0003712400000000, 0.0001332100000000, -0.0007656100000000 ] - [ 0.0005039400000000, 0.0007204900000000, -0.0001412000000000 ] - [ 0.0000558700000000, 0.0001641900000000, -0.0003334100000000 ] - [ 0.0001205500000000, 0.0003749000000000, 0.0005407800000000 ] - [ -0.0145462700000000, 0.0292917900000000, -0.0301587400000000 ] - [ 0.0000477300000000, -0.0001944400000000, -0.0003353700000000 ] - [ -0.0004395800000000, 0.0005301200000000, -0.0001073400000000 ] - [ 0.0002697200000000, 0.0003659900000000, 0.0001082700000000 ] - [ 0.0026448500000000, 0.0102064900000000, 0.0216451900000000 ] - [ -0.0002747200000000, -0.0004773800000000, -0.0001830900000000 ] - [ -0.0003541600000000, -0.0001540300000000, 0.0007966000000000 ] - [ 0.0002918800000000, -0.0001424700000000, -0.0007908300000000 ] - [ 0.0102384400000000, 0.0090746000000000, 0.0074697200000000 ] - [ -0.0003837700000000, 0.0001708400000000, 0.0008362500000000 ] - [ 0.0000780000000000, -0.0009181100000000, -0.0001071500000000 ] - [ -0.0000303400000000, 0.0001848200000000, 0.0003014700000000 ] - [ -0.0000727200000000, -0.0001662700000000, 0.0003165100000000 ] - [ 0.0001994200000000, -0.0009371900000000, -0.0003794400000000 ] - [ 0.0000134300000000, -0.0005605400000000, -0.0000058000000000 ] - [ 0.0039692600000000, 0.0020888300000000, 0.0003616300000000 ] - [ 0.0001053400000000, -0.0004635700000000, -0.0000461200000000 ] - [ -0.0000803800000000, 0.0004814700000000, -0.0000697700000000 ] - [ -0.0001930000000000, -0.0010226800000000, 0.0000323500000000 ] - [ 0.0002185600000000, -0.0003309400000000, 0.0003767800000000 ] - [ 0.0003040800000000, 0.0002758600000000, 0.0002997200000000 ] - [ -0.0004549200000000, 0.0002284400000000, -0.0002165800000000 ] - [ -0.0000280100000000, -0.0006200000000000, -0.0000915100000000 ] - [ -0.0000040000000000, 0.0005915300000000, 0.0000138300000000 ] - [ 0.0000236700000000, -0.0004781300000000, -0.0000085100000000 ] - [ -0.0000600200000000, 0.0004864000000000, 0.0000999700000000 ] - [ -0.0003183000000000, -0.0002631800000000, -0.0003086400000000 ] - [ 0.0004708400000000, -0.0003132400000000, 0.0001797800000000 ] - [ 0.0003105300000000, 0.0002386300000000, 0.0002997200000000 ] - [ -0.0004241600000000, 0.0002903300000000, -0.0003065200000000 ] - [ -0.0032610800000000, 0.0005641600000000, -0.0008072700000000 ] - [ 0.0002438700000000, 0.0003537900000000, 0.0000036300000000 ] - [ 0.0002400800000000, -0.0003553400000000, 0.0000036300000000 ] - [ -0.0001705900000000, -0.0003998700000000, -0.0001860200000000 ] - [ 0.0001869500000000, 0.0004971800000000, 0.0003242100000000 ] - [ -0.0024695600000000, 0.0033135200000000, -0.0054390700000000 ] - [ -0.0003945000000000, -0.0003643500000000, -0.0001960900000000 ] - [ 0.0002132900000000, -0.0004753100000000, 0.0003013700000000 ] - [ -0.0029556300000000, -0.0653284800000000, 0.0010439300000000 ] - [ 0.0001409700000000, 0.0002536200000000, 0.0002979700000000 ] - [ 0.0001140200000000, -0.0002862000000000, 0.0002747400000000 ] - [ -0.0002123900000000, -0.0002935500000000, -0.0003099900000000 ] - [ 0.0012028900000000, -0.0003492000000000, -0.0022488400000000 ] - [ 0.0001109600000000, 0.0002841500000000, 0.0002401300000000 ] - [ 0.0000566600000000, -0.0002790200000000, 0.0002144300000000 ] - [ -0.0001271700000000, -0.0001496300000000, -0.0000786700000000 ] - [ 0.0002494100000000, 0.0001268800000000, 0.0003849000000000 ] - [ -0.0015817400000000, 0.0009460600000000, 0.0012925200000000 ] - [ -0.0001150800000000, -0.0001575400000000, -0.0002941100000000 ] - [ 0.0000896800000000, -0.0003163600000000, -0.0002817200000000 ] - [ -0.0000952400000000, -0.0002312400000000, -0.0004019700000000 ] - [ -0.0000392700000000, -0.0001662200000000, 0.0004675700000000 ] - [ 0.0000495200000000, 0.0002225700000000, 0.0004479300000000 ] - [ 0.0012522100000000, 0.0058318800000000, 0.0001329800000000 ] - [ -0.0002418000000000, 0.0003247100000000, -0.0000582600000000 ] - [ -0.0000236100000000, 0.0044877800000000, -0.0008647600000000 ] - [ 0.0001034100000000, -0.0007447800000000, 0.0023440200000000 ] - [ -0.0002503600000000, -0.0003540900000000, -0.0000109200000000 ] - [ 0.0002439200000000, 0.0005792700000000, 0.0003838800000000 ] - [ -0.0001842200000000, 0.0004802700000000, -0.0003159800000000 ] - [ -0.0001823200000000, -0.0004754200000000, -0.0003120200000000 ] - [ 0.0024380400000000, 0.0021112200000000, 0.0035292300000000 ] - [ -0.0001219700000000, 0.0002725900000000, -0.0002801900000000 ] - [ 0.0000094000000000, 0.0002351100000000, 0.0002966500000000 ] - [ 0.0000225200000000, -0.0003727700000000, 0.0002001400000000 ] - [ -0.0000856800000000, -0.0002832600000000, -0.0002546600000000 ] - [ -0.0000395300000000, 0.0002953300000000, -0.0002055300000000 ] - [ 0.0000544900000000, 0.0002491800000000, 0.0002314700000000 ] - [ 0.0019402500000000, -0.0012150800000000, 0.0013691400000000 ] - [ -0.0000515900000000, -0.0002929500000000, -0.0002040200000000 ] - [ 0.0002172300000000, 0.0001150000000000, 0.0002698900000000 ] - [ -0.0001812900000000, 0.0001447600000000, -0.0001783600000000 ] - [ -0.0001991200000000, -0.0001680100000000, -0.0002444500000000 ] - [ 0.0000332100000000, -0.0002557100000000, 0.0001502900000000 ] - [ 0.0000323600000000, -0.0001813400000000, -0.0004459700000000 ] - [ -0.0001037600000000, -0.0000625100000000, 0.0004440500000000 ] - [ 0.0009356800000000, 0.0003721600000000, -0.0002135400000000 ] - [ 0.0000464400000000, 0.0001681400000000, -0.0004870200000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016825800000000, -0.0003103200000000, 0.0001118900000000 ] - [ 0.0003013800000000, 0.0004919300000000, 0.0002167300000000 ] - [ 0.0002911700000000, -0.0004313300000000, 0.0002356900000000 ] - [ -0.0000729100000000, -0.0010913500000000, -0.0001995400000000 ] - [ 0.0005940400000000, -0.0014936200000000, 0.0001222100000000 ] - [ 0.0003155600000000, -0.0001228200000000, -0.0007226000000000 ] - [ 0.0002781200000000, 0.0001294200000000, -0.0008443200000000 ] - [ -0.0011313700000000, -0.0004391800000000, 0.0017257900000000 ] - [ 0.0000142200000000, 0.0001208100000000, -0.0003368600000000 ] - [ -0.0001869100000000, -0.0000860600000000, 0.0001376200000000 ] - [ 0.0150034200000000, -0.0305901800000000, 0.0320386200000000 ] - [ 0.0000176300000000, -0.0000962400000000, -0.0003293300000000 ] - [ -0.0001333000000000, 0.0003810500000000, -0.0003275600000000 ] - [ 0.0003021800000000, 0.0005447700000000, 0.0003244600000000 ] - [ -0.0020433600000000, -0.0111790100000000, -0.0211044300000000 ] - [ -0.0003014500000000, -0.0004290300000000, -0.0002457100000000 ] - [ -0.0002861200000000, -0.0001124000000000, 0.0008191800000000 ] - [ 0.0003659100000000, -0.0001231500000000, -0.0008152600000000 ] - [ -0.0097277300000000, -0.0088619400000000, -0.0090785800000000 ] - [ -0.0002613600000000, 0.0000801000000000, 0.0007479300000000 ] - [ -0.0000057400000000, 0.0011715300000000, -0.0005727500000000 ] - [ -0.0000495700000000, 0.0001021300000000, 0.0003734200000000 ] - [ -0.0000037700000000, -0.0001293500000000, 0.0003485100000000 ] - [ -0.0001135800000000, 0.0006497100000000, -0.0002819800000000 ] - [ -0.0000154300000000, -0.0006232000000000, 0.0000046400000000 ] - [ -0.0040415900000000, -0.0009021500000000, -0.0003709500000000 ] - [ -0.0001072600000000, -0.0005061200000000, 0.0000450400000000 ] - [ 0.0000717000000000, 0.0004846300000000, 0.0000669300000000 ] - [ -0.0004186900000000, 0.0004966400000000, -0.0006282900000000 ] - [ 0.0004031000000000, -0.0001893200000000, 0.0002580900000000 ] - [ 0.0003141600000000, 0.0002427600000000, 0.0003380400000000 ] - [ -0.0001699500000000, 0.0002861000000000, -0.0004162700000000 ] - [ 0.0000284900000000, -0.0005645900000000, 0.0000912600000000 ] - [ 0.0000027900000000, 0.0005956800000000, -0.0000144900000000 ] - [ -0.0000218600000000, -0.0004929300000000, 0.0000067400000000 ] - [ 0.0000604000000000, 0.0004833300000000, -0.0001012800000000 ] - [ -0.0003021800000000, -0.0002557400000000, -0.0003292700000000 ] - [ 0.0001535200000000, -0.0002082600000000, 0.0004575100000000 ] - [ 0.0003107100000000, 0.0002812700000000, 0.0003357800000000 ] - [ -0.0001968400000000, 0.0002289500000000, -0.0003333700000000 ] - [ 0.0027727900000000, 0.0001629400000000, 0.0008168100000000 ] - [ 0.0002706900000000, 0.0003913900000000, -0.0000091200000000 ] - [ 0.0002732400000000, -0.0003845300000000, -0.0000047900000000 ] - [ -0.0003373400000000, -0.0003529600000000, 0.0001816300000000 ] - [ 0.0001778000000000, 0.0005069700000000, 0.0003153600000000 ] - [ 0.0020997400000000, -0.0022886600000000, 0.0048009700000000 ] - [ 0.0000440300000000, -0.0006447500000000, -0.0004460700000000 ] - [ 0.0001607500000000, -0.0005397200000000, 0.0003342200000000 ] - [ 0.0023382300000000, 0.0669108300000000, -0.0029256700000000 ] - [ 0.0000357100000000, 0.0003049800000000, 0.0001859200000000 ] - [ 0.0000592800000000, -0.0002696400000000, 0.0002124000000000 ] - [ 0.0000432100000000, -0.0002776600000000, -0.0001839400000000 ] - [ -0.0012873900000000, 0.0009778500000000, 0.0018418800000000 ] - [ -0.0000267400000000, 0.0003449200000000, 0.0001923900000000 ] - [ 0.0000190200000000, -0.0003424400000000, 0.0002002700000000 ] - [ 0.0000443000000000, -0.0004838300000000, -0.0003334200000000 ] - [ 0.0001169400000000, 0.0001999700000000, 0.0001066400000000 ] - [ 0.0012181600000000, -0.0006254100000000, -0.0017875700000000 ] - [ -0.0002522300000000, -0.0001689100000000, -0.0001960600000000 ] - [ 0.0002699200000000, -0.0000078900000000, 0.0007861800000000 ] - [ 0.0001563900000000, -0.0001101600000000, -0.0005341800000000 ] - [ -0.0000174500000000, -0.0002009800000000, 0.0004362200000000 ] - [ -0.0001177600000000, 0.0001294000000000, 0.0004781500000000 ] - [ -0.0011867300000000, -0.0055029100000000, -0.0010464800000000 ] - [ -0.0002759000000000, 0.0004221100000000, 0.0000518800000000 ] - [ 0.0005305900000000, -0.0036279500000000, 0.0008370500000000 ] - [ 0.0004219000000000, -0.0000045000000000, -0.0023729200000000 ] - [ -0.0002632100000000, -0.0003735700000000, 0.0000161500000000 ] - [ 0.0001347800000000, 0.0004336200000000, 0.0002440400000000 ] - [ -0.0001939600000000, 0.0005337100000000, -0.0003197900000000 ] - [ -0.0001889400000000, -0.0005379900000000, -0.0003270200000000 ] - [ -0.0020203300000000, -0.0030734700000000, -0.0028121200000000 ] - [ -0.0000525800000000, 0.0002885700000000, -0.0002107500000000 ] - [ 0.0001680400000000, 0.0003233300000000, 0.0001877400000000 ] - [ 0.0001556800000000, -0.0001806700000000, 0.0002856700000000 ] - [ -0.0001038800000000, -0.0002749900000000, -0.0002290000000000 ] - [ -0.0000470200000000, 0.0003300100000000, -0.0002169200000000 ] - [ 0.0000183100000000, 0.0003754900000000, 0.0001828500000000 ] - [ -0.0018827800000000, 0.0005860100000000, -0.0009545200000000 ] - [ -0.0000227800000000, -0.0003359100000000, -0.0002182300000000 ] - [ 0.0001504900000000, 0.0002120100000000, 0.0002218700000000 ] - [ -0.0001951100000000, 0.0001842100000000, -0.0003130600000000 ] - [ -0.0001669800000000, -0.0001578300000000, -0.0002469300000000 ] - [ 0.0003274000000000, -0.0000683900000000, 0.0003342100000000 ] - [ 0.0000236600000000, -0.0001780500000000, -0.0004723400000000 ] - [ 0.0000334200000000, -0.0003002300000000, 0.0004803300000000 ] - [ -0.0009935900000000, -0.0000258300000000, 0.0011165700000000 ] - [ 0.0000132700000000, 0.0001889500000000, -0.0004397300000000 ]- atom: 49 displacement: [ -0.0002562758177658, 0.0000000000000000, 0.0099967155958959 ] forces: - [ 0.0006409100000000, -0.0006540800000000, 0.0018938000000000 ] - [ 0.0003037300000000, 0.0004778400000000, 0.0002181000000000 ] - [ 0.0003188800000000, -0.0006003900000000, 0.0002232200000000 ] - [ -0.0000686600000000, -0.0008328200000000, 0.0003079900000000 ] - [ 0.0016590700000000, -0.0003852200000000, 0.0034080500000000 ] - [ 0.0002088000000000, -0.0000428000000000, -0.0008337000000000 ] - [ 0.0003086100000000, 0.0001252600000000, -0.0006693000000000 ] - [ -0.0001396900000000, -0.0003038900000000, 0.0009086500000000 ] - [ 0.0000497200000000, 0.0001306500000000, -0.0003850000000000 ] - [ -0.0005066900000000, -0.0000674900000000, -0.0000437400000000 ] - [ 0.0097890300000000, -0.0236172100000000, 0.0362992500000000 ] - [ -0.0000052100000000, -0.0001164800000000, -0.0003555000000000 ] - [ -0.0003523800000000, 0.0004073900000000, -0.0003852400000000 ] - [ 0.0003662500000000, 0.0002720600000000, -0.0002876200000000 ] - [ -0.0017519700000000, 0.0174972700000000, 0.0724084800000000 ] - [ -0.0003672600000000, -0.0006030600000000, -0.0002520300000000 ] - [ -0.0003412100000000, -0.0001459400000000, 0.0007100400000000 ] - [ 0.0002664800000000, -0.0000967000000000, -0.0010230500000000 ] - [ 0.0237479600000000, 0.0074046900000000, 0.0173159500000000 ] - [ -0.0003882900000000, 0.0001546900000000, 0.0007448900000000 ] - [ 0.0006820200000000, 0.0003124700000000, 0.0028481700000000 ] - [ 0.0000064900000000, 0.0001288900000000, 0.0003092600000000 ] - [ -0.0000663600000000, -0.0001002800000000, 0.0003366400000000 ] - [ 0.0000899100000000, -0.0001130800000000, -0.0010445400000000 ] - [ 0.0000579300000000, -0.0005503100000000, 0.0000227900000000 ] - [ -0.0008922900000000, -0.0000605100000000, -0.0006184200000000 ] - [ 0.0002218800000000, -0.0004366500000000, -0.0000524000000000 ] - [ -0.0000697400000000, 0.0005699600000000, -0.0000419200000000 ] - [ 0.0018402400000000, 0.0002747100000000, 0.0064489900000000 ] - [ 0.0001672900000000, -0.0002981200000000, 0.0003797700000000 ] - [ 0.0003113500000000, 0.0002620700000000, 0.0003162000000000 ] - [ -0.0000526600000000, 0.0003591400000000, -0.0001945400000000 ] - [ -0.0002255700000000, -0.0006369900000000, -0.0002616300000000 ] - [ -0.0000588000000000, 0.0005610200000000, 0.0000837900000000 ] - [ -0.0001164300000000, -0.0004703100000000, -0.0000808000000000 ] - [ -0.0000784000000000, 0.0004725200000000, 0.0001324000000000 ] - [ -0.0003330800000000, -0.0002337700000000, -0.0003424100000000 ] - [ 0.0001579900000000, -0.0000953000000000, 0.0005448700000000 ] - [ 0.0003120400000000, 0.0002802400000000, 0.0002004500000000 ] - [ -0.0005638100000000, 0.0002967800000000, -0.0003303100000000 ] - [ 0.0010140000000000, -0.0007114000000000, -0.0023672900000000 ] - [ 0.0002803000000000, 0.0003809700000000, -0.0000191000000000 ] - [ 0.0002711600000000, -0.0003850400000000, -0.0000553500000000 ] - [ -0.0003323900000000, -0.0004582600000000, -0.0000069700000000 ] - [ 0.0001961400000000, 0.0005056100000000, 0.0003347200000000 ] - [ 0.0022591800000000, -0.0025503700000000, 0.0035593500000000 ] - [ -0.0008076700000000, -0.0004831400000000, 0.0001086900000000 ] - [ 0.0002326200000000, -0.0004993300000000, 0.0003229900000000 ] - [ -0.0360056100000000, 0.0022922500000000, -0.1506780800000000 ] - [ 0.0001851100000000, 0.0002550700000000, 0.0003061800000000 ] - [ 0.0001498600000000, -0.0002668200000000, 0.0003158200000000 ] - [ 0.0001209500000000, -0.0002569600000000, 0.0001611600000000 ] - [ -0.0032259200000000, -0.0020498700000000, 0.0017023800000000 ] - [ 0.0001913100000000, 0.0003383200000000, 0.0003026200000000 ] - [ 0.0000575500000000, -0.0002904700000000, 0.0001874300000000 ] - [ -0.0001422700000000, -0.0002948900000000, -0.0003015500000000 ] - [ 0.0002256400000000, 0.0000926800000000, 0.0004357600000000 ] - [ -0.0021043400000000, 0.0017314300000000, 0.0007559800000000 ] - [ -0.0000822400000000, -0.0003071700000000, -0.0002750200000000 ] - [ 0.0002717400000000, -0.0002844100000000, -0.0006452000000000 ] - [ -0.0002141700000000, -0.0002370400000000, -0.0000332000000000 ] - [ -0.0000539600000000, -0.0001807200000000, 0.0004558400000000 ] - [ 0.0001042900000000, 0.0002789100000000, 0.0004775900000000 ] - [ -0.0007875000000000, 0.0011781400000000, -0.0027836100000000 ] - [ -0.0003467800000000, 0.0004028500000000, 0.0000038300000000 ] - [ 0.0001000400000000, -0.0011899200000000, 0.0003984900000000 ] - [ 0.0009847500000000, 0.0008232400000000, 0.0065012100000000 ] - [ -0.0002880200000000, -0.0003746400000000, 0.0000164100000000 ] - [ 0.0002262800000000, 0.0007237900000000, 0.0003411700000000 ] - [ -0.0001718900000000, 0.0005153400000000, -0.0003312800000000 ] - [ -0.0001630300000000, -0.0005013900000000, -0.0002850200000000 ] - [ 0.0016139800000000, 0.0027643600000000, 0.0001658400000000 ] - [ -0.0000649900000000, 0.0002743600000000, -0.0001937400000000 ] - [ 0.0001877400000000, 0.0002473000000000, 0.0002032900000000 ] - [ 0.0004898800000000, -0.0003511200000000, 0.0006404000000000 ] - [ -0.0000113400000000, -0.0002884100000000, -0.0001535900000000 ] - [ 0.0001386000000000, 0.0004510700000000, -0.0002000100000000 ] - [ -0.0001236500000000, 0.0006992500000000, 0.0002940400000000 ] - [ 0.0028753400000000, -0.0003002900000000, 0.0018119200000000 ] - [ 0.0000572700000000, -0.0003462800000000, -0.0001843600000000 ] - [ 0.0002054600000000, 0.0000661900000000, 0.0001565300000000 ] - [ -0.0002194300000000, 0.0002085200000000, -0.0002282100000000 ] - [ -0.0001497800000000, -0.0001304400000000, -0.0002081000000000 ] - [ 0.0005056000000000, -0.0004485300000000, 0.0003938500000000 ] - [ 0.0000773200000000, -0.0001835700000000, -0.0004252900000000 ] - [ 0.0000777700000000, -0.0000372200000000, 0.0007465300000000 ] - [ -0.0030258400000000, -0.0005287700000000, -0.0000497300000000 ] - [ 0.0000929100000000, 0.0001805100000000, -0.0005349400000000 ]- atom: 49 displacement: [ 0.0002562758177658, 0.0000000000000000, -0.0099967155958959 ] forces: - [ -0.0012543900000000, 0.0016206000000000, -0.0022852800000000 ] - [ 0.0003311700000000, 0.0005115700000000, 0.0002725800000000 ] - [ 0.0003381700000000, -0.0003484000000000, 0.0002358900000000 ] - [ -0.0005668700000000, -0.0001591000000000, -0.0007861900000000 ] - [ -0.0022075900000000, 0.0001729300000000, -0.0018459000000000 ] - [ 0.0003833100000000, -0.0001658800000000, -0.0006819800000000 ] - [ 0.0003104800000000, 0.0001043800000000, -0.0008800000000000 ] - [ -0.0004746100000000, 0.0005219900000000, 0.0006442100000000 ] - [ -0.0000153000000000, 0.0000906800000000, -0.0003290400000000 ] - [ 0.0004839200000000, 0.0003094400000000, 0.0007327500000000 ] - [ -0.0093951100000000, 0.0223931000000000, -0.0346725300000000 ] - [ 0.0000272200000000, -0.0001075400000000, -0.0003230300000000 ] - [ -0.0003158900000000, 0.0005750700000000, -0.0000916800000000 ] - [ 0.0002838200000000, 0.0006613700000000, 0.0007578500000000 ] - [ 0.0023191300000000, -0.0175314800000000, -0.0686854000000000 ] - [ -0.0002845300000000, -0.0003412000000000, -0.0001787300000000 ] - [ -0.0002727400000000, -0.0000792600000000, 0.0008510200000000 ] - [ 0.0003726800000000, -0.0001419500000000, -0.0005032300000000 ] - [ -0.0227704700000000, -0.0071368000000000, -0.0187539900000000 ] - [ -0.0002165300000000, 0.0000388800000000, 0.0007396700000000 ] - [ -0.0005730300000000, -0.0000912900000000, -0.0034747600000000 ] - [ -0.0000722300000000, 0.0001033600000000, 0.0004151300000000 ] - [ 0.0000218800000000, -0.0001316600000000, 0.0003530100000000 ] - [ -0.0000292000000000, -0.0001172700000000, 0.0003353500000000 ] - [ -0.0000614900000000, -0.0006151200000000, -0.0000197300000000 ] - [ 0.0009260000000000, 0.0012516100000000, 0.0006054600000000 ] - [ -0.0002198900000000, -0.0005370800000000, 0.0000587700000000 ] - [ 0.0000685300000000, 0.0004056800000000, 0.0000334000000000 ] - [ -0.0025240700000000, -0.0007774300000000, -0.0073457800000000 ] - [ 0.0004289900000000, -0.0001994800000000, 0.0002848800000000 ] - [ 0.0002889000000000, 0.0002252200000000, 0.0003571600000000 ] - [ -0.0005491000000000, 0.0001321500000000, -0.0004780600000000 ] - [ 0.0002280900000000, -0.0005272200000000, 0.0002615400000000 ] - [ 0.0000534300000000, 0.0006071100000000, -0.0000877900000000 ] - [ 0.0001136300000000, -0.0005069500000000, 0.0000823400000000 ] - [ 0.0000787000000000, 0.0005037200000000, -0.0001364800000000 ] - [ -0.0002701500000000, -0.0002554500000000, -0.0003307100000000 ] - [ 0.0004509300000000, -0.0003922300000000, 0.0001247200000000 ] - [ 0.0002895900000000, 0.0002138500000000, 0.0004725400000000 ] - [ -0.0000404500000000, 0.0001956500000000, -0.0003462000000000 ] - [ -0.0015697100000000, 0.0014687400000000, 0.0023643500000000 ] - [ 0.0002668500000000, 0.0003950400000000, -0.0000065300000000 ] - [ 0.0002682900000000, -0.0003803400000000, 0.0000392000000000 ] - [ -0.0001921200000000, -0.0003345100000000, 0.0000086000000000 ] - [ 0.0001674300000000, 0.0005059200000000, 0.0003165200000000 ] - [ -0.0025878700000000, 0.0035700000000000, -0.0041357400000000 ] - [ 0.0004613700000000, -0.0005489200000000, -0.0007476700000000 ] - [ 0.0001476700000000, -0.0005515400000000, 0.0003140300000000 ] - [ 0.0350824200000000, -0.0018529700000000, 0.1459394600000000 ] - [ -0.0000467100000000, 0.0002971200000000, 0.0001216000000000 ] - [ -0.0000182700000000, -0.0002769900000000, 0.0001369800000000 ] - [ -0.0002417300000000, -0.0003248300000000, -0.0006173300000000 ] - [ 0.0031659400000000, 0.0026960300000000, -0.0020736700000000 ] - [ -0.0001672800000000, 0.0003348000000000, 0.0001366000000000 ] - [ -0.0000535400000000, -0.0003556500000000, 0.0002087100000000 ] - [ 0.0001080300000000, -0.0003801400000000, -0.0001048900000000 ] - [ 0.0001158400000000, 0.0002402500000000, 0.0000308400000000 ] - [ 0.0017247100000000, -0.0013701000000000, -0.0012756500000000 ] - [ -0.0002804400000000, -0.0000272300000000, -0.0002073400000000 ] - [ 0.0000965300000000, -0.0000687700000000, 0.0011376200000000 ] - [ 0.0002788800000000, -0.0000815000000000, -0.0009337200000000 ] - [ -0.0000069700000000, -0.0001948300000000, 0.0004282000000000 ] - [ -0.0001919100000000, 0.0000628300000000, 0.0004624400000000 ] - [ 0.0008802200000000, -0.0007865400000000, 0.0018525500000000 ] - [ -0.0002040400000000, 0.0003818700000000, -0.0000076200000000 ] - [ 0.0004562600000000, 0.0019626300000000, -0.0004118400000000 ] - [ -0.0004084600000000, -0.0015623100000000, -0.0063716000000000 ] - [ -0.0002464400000000, -0.0003654800000000, 0.0000116400000000 ] - [ 0.0001640500000000, 0.0003345900000000, 0.0002911500000000 ] - [ -0.0002190300000000, 0.0005193500000000, -0.0003075500000000 ] - [ -0.0002064700000000, -0.0005425000000000, -0.0003632200000000 ] - [ -0.0012519700000000, -0.0037609300000000, 0.0004741500000000 ] - [ -0.0000602400000000, 0.0002847200000000, -0.0002502300000000 ] - [ -0.0000360500000000, 0.0003005700000000, 0.0002388200000000 ] - [ -0.0003715800000000, -0.0001925800000000, -0.0002271500000000 ] - [ -0.0001542800000000, -0.0002600400000000, -0.0002894500000000 ] - [ -0.0001663400000000, 0.0002150600000000, -0.0002156900000000 ] - [ 0.0001185200000000, -0.0000408100000000, 0.0001045800000000 ] - [ -0.0028434200000000, -0.0003645400000000, -0.0013601100000000 ] - [ -0.0000607700000000, -0.0003196500000000, -0.0002307600000000 ] - [ 0.0001516900000000, 0.0002714000000000, 0.0003331900000000 ] - [ -0.0001561300000000, 0.0001351600000000, -0.0002573700000000 ] - [ -0.0002019400000000, -0.0002037800000000, -0.0002797100000000 ] - [ -0.0001637000000000, 0.0001178200000000, 0.0000758200000000 ] - [ -0.0000139000000000, -0.0001705100000000, -0.0004978000000000 ] - [ -0.0001640700000000, -0.0003213600000000, 0.0001893600000000 ] - [ 0.0029697900000000, 0.0008970200000000, 0.0009687600000000 ] - [ -0.0000240700000000, 0.0001728400000000, -0.0003942900000000 ]- atom: 53 displacement: [ 0.0099999862199687, 0.0000000000000000, 0.0000166012179150 ] forces: - [ 0.0029933500000000, 0.0018208800000000, -0.0006246900000000 ] - [ 0.0002891200000000, 0.0004479300000000, 0.0001993000000000 ] - [ 0.0002345000000000, -0.0005927300000000, 0.0001898700000000 ] - [ -0.0003731000000000, -0.0004673400000000, -0.0001549400000000 ] - [ 0.0458596200000000, 0.0071653700000000, 0.0225725400000000 ] - [ 0.0002891600000000, 0.0001487000000000, -0.0005466100000000 ] - [ 0.0001290400000000, 0.0001777600000000, -0.0010295000000000 ] - [ -0.0004081600000000, 0.0001716300000000, 0.0004322600000000 ] - [ -0.0001661600000000, -0.0000826600000000, -0.0004765700000000 ] - [ -0.0002052200000000, -0.0001290500000000, 0.0003246800000000 ] - [ 0.0503083600000000, -0.0050094400000000, -0.0216878800000000 ] - [ -0.0000849800000000, -0.0000802200000000, -0.0004591000000000 ] - [ -0.0005209700000000, 0.0000457300000000, 0.0000688500000000 ] - [ 0.0004959300000000, 0.0003269800000000, 0.0003975000000000 ] - [ 0.0177398600000000, 0.0197534300000000, -0.0055129200000000 ] - [ -0.0002899800000000, -0.0004829800000000, -0.0002388800000000 ] - [ -0.0003211200000000, 0.0000880600000000, 0.0008436100000000 ] - [ 0.0006199400000000, -0.0001261600000000, -0.0010269300000000 ] - [ 0.0036994400000000, 0.0009194600000000, -0.0014072600000000 ] - [ -0.0004795000000000, 0.0001534800000000, 0.0007312200000000 ] - [ 0.0028818400000000, 0.0006911900000000, -0.0000087800000000 ] - [ -0.0000708300000000, 0.0000476500000000, 0.0003638200000000 ] - [ 0.0000453800000000, -0.0000223300000000, 0.0002155000000000 ] - [ 0.0001416000000000, -0.0000815000000000, -0.0000608600000000 ] - [ -0.0004321100000000, -0.0014285600000000, 0.0008593900000000 ] - [ -0.0001637900000000, 0.0005053600000000, -0.0007452600000000 ] - [ 0.0002001600000000, -0.0002264300000000, 0.0002701700000000 ] - [ 0.0000990400000000, 0.0004492000000000, -0.0001766600000000 ] - [ -0.0001413200000000, -0.0002365900000000, -0.0003242900000000 ] - [ 0.0005891300000000, -0.0004688100000000, 0.0004586000000000 ] - [ 0.0003470100000000, 0.0002268400000000, 0.0003373000000000 ] - [ 0.0002731700000000, -0.0009076200000000, -0.0005203100000000 ] - [ -0.0005603700000000, -0.0008001500000000, -0.0001210800000000 ] - [ -0.0002093800000000, 0.0005370900000000, 0.0000089100000000 ] - [ -0.0001810600000000, -0.0004928300000000, -0.0000022400000000 ] - [ -0.0005041800000000, 0.0002998200000000, 0.0001288800000000 ] - [ -0.0004264300000000, -0.0002220900000000, -0.0003555800000000 ] - [ 0.0001223600000000, -0.0003905500000000, 0.0002562700000000 ] - [ 0.0003150800000000, 0.0002476800000000, 0.0000935200000000 ] - [ -0.0005856700000000, 0.0002185300000000, -0.0003497700000000 ] - [ 0.0057603500000000, 0.0010738600000000, -0.0026245400000000 ] - [ 0.0002918100000000, 0.0003966900000000, -0.0000505300000000 ] - [ 0.0003458900000000, -0.0004399000000000, -0.0000256400000000 ] - [ -0.0002346200000000, -0.0003242100000000, -0.0000548600000000 ] - [ 0.0002231300000000, 0.0004988000000000, 0.0003465000000000 ] - [ 0.0024575600000000, -0.0036877400000000, 0.0012425900000000 ] - [ -0.0002360700000000, -0.0005119300000000, -0.0003775400000000 ] - [ 0.0003046000000000, -0.0003999700000000, 0.0002693600000000 ] - [ -0.0018201600000000, 0.0015548700000000, -0.0034668400000000 ] - [ 0.0002489400000000, 0.0002358300000000, 0.0004028400000000 ] - [ 0.0000973900000000, -0.0002903000000000, 0.0002865700000000 ] - [ -0.0001687500000000, -0.0002294900000000, -0.0003578800000000 ] - [ -0.1306309800000000, -0.0227078700000000, 0.0047201100000000 ] - [ 0.0001934500000000, 0.0003316100000000, 0.0002380500000000 ] - [ 0.0006987600000000, 0.0003118200000000, 0.0002546700000000 ] - [ -0.0000882800000000, -0.0002632600000000, -0.0001338500000000 ] - [ 0.0001426500000000, 0.0001456600000000, 0.0002475300000000 ] - [ -0.0017209200000000, -0.0041573000000000, 0.0006095600000000 ] - [ -0.0002758900000000, -0.0002810600000000, -0.0003995000000000 ] - [ -0.0003468700000000, 0.0002204800000000, 0.0006528600000000 ] - [ -0.0030800900000000, -0.0004117100000000, 0.0000148300000000 ] - [ 0.0004471100000000, 0.0000249400000000, 0.0001121700000000 ] - [ 0.0000730500000000, 0.0002581600000000, 0.0005942500000000 ] - [ -0.0022331500000000, -0.0008084100000000, -0.0001268900000000 ] - [ -0.0003023600000000, 0.0003650200000000, -0.0000392000000000 ] - [ 0.0003143300000000, 0.0004032500000000, 0.0000381600000000 ] - [ -0.0015617300000000, 0.0016775900000000, 0.0019873400000000 ] - [ -0.0001675600000000, -0.0003698200000000, -0.0000025800000000 ] - [ 0.0000852600000000, 0.0005390000000000, 0.0002715800000000 ] - [ 0.0000347800000000, 0.0005410100000000, -0.0003908600000000 ] - [ -0.0001822300000000, -0.0005265100000000, -0.0003122000000000 ] - [ 0.0019089500000000, 0.0017440400000000, 0.0000001000000000 ] - [ 0.0001298400000000, 0.0003121000000000, -0.0000697000000000 ] - [ -0.0000035900000000, 0.0002994100000000, 0.0000985000000000 ] - [ 0.0064139300000000, 0.0016283100000000, 0.0032646600000000 ] - [ -0.0000283800000000, -0.0002970200000000, -0.0001652400000000 ] - [ 0.0001778700000000, 0.0004074600000000, -0.0001963800000000 ] - [ -0.0000677100000000, 0.0003784600000000, 0.0002096500000000 ] - [ 0.0003973700000000, -0.0000431200000000, 0.0001594100000000 ] - [ 0.0002225800000000, -0.0003412100000000, -0.0001865400000000 ] - [ 0.0003054800000000, 0.0002497300000000, 0.0001906300000000 ] - [ -0.0000563300000000, 0.0000374800000000, 0.0000240200000000 ] - [ -0.0000714200000000, -0.0003103700000000, -0.0001491700000000 ] - [ 0.0002717100000000, -0.0001629500000000, 0.0001418900000000 ] - [ 0.0001259800000000, -0.0001273800000000, -0.0004569000000000 ] - [ -0.0000043200000000, 0.0003872700000000, 0.0007375400000000 ] - [ -0.0000734100000000, 0.0002496100000000, -0.0000025700000000 ] - [ 0.0001333100000000, 0.0002243500000000, -0.0004481100000000 ]- atom: 53 displacement: [ -0.0099999862199687, 0.0000000000000000, -0.0000166012179150 ] forces: - [ -0.0035270400000000, -0.0008712700000000, 0.0002016400000000 ] - [ 0.0002845100000000, 0.0004742500000000, 0.0002550000000000 ] - [ 0.0003530300000000, -0.0003168000000000, 0.0002473200000000 ] - [ -0.0002020300000000, -0.0004652500000000, -0.0002842500000000 ] - [ -0.0446442200000000, -0.0069963100000000, -0.0197992400000000 ] - [ 0.0003470500000000, -0.0004177900000000, -0.0010661200000000 ] - [ 0.0005206400000000, 0.0000943700000000, -0.0005799700000000 ] - [ -0.0002386700000000, 0.0000946100000000, 0.0011808200000000 ] - [ 0.0002355300000000, 0.0003736700000000, -0.0002045600000000 ] - [ 0.0001275900000000, 0.0004049500000000, 0.0003427000000000 ] - [ -0.0483596800000000, 0.0044954500000000, 0.0212157400000000 ] - [ 0.0001494700000000, -0.0002068000000000, -0.0002040600000000 ] - [ -0.0000675900000000, 0.0008823300000000, -0.0005200600000000 ] - [ 0.0000844900000000, 0.0005778800000000, 0.0000410700000000 ] - [ -0.0169858900000000, -0.0202543600000000, 0.0058636500000000 ] - [ -0.0003025900000000, -0.0004243400000000, -0.0001875000000000 ] - [ -0.0003355600000000, -0.0003618900000000, 0.0007722900000000 ] - [ 0.0000498500000000, -0.0001415400000000, -0.0005823000000000 ] - [ -0.0029785900000000, -0.0006061000000000, -0.0002178900000000 ] - [ -0.0001670400000000, 0.0001023300000000, 0.0008602800000000 ] - [ -0.0027467600000000, -0.0003596200000000, -0.0006678500000000 ] - [ -0.0000129700000000, 0.0002417900000000, 0.0003218200000000 ] - [ -0.0001303300000000, -0.0002642900000000, 0.0004572500000000 ] - [ -0.0000521000000000, -0.0002021300000000, -0.0006176000000000 ] - [ 0.0004287700000000, 0.0002652400000000, -0.0008841200000000 ] - [ 0.0001557300000000, 0.0006784400000000, 0.0007650600000000 ] - [ -0.0002084300000000, -0.0007526200000000, -0.0002842200000000 ] - [ -0.0001090800000000, 0.0005237400000000, 0.0001798400000000 ] - [ -0.0004838500000000, -0.0002746700000000, -0.0003221900000000 ] - [ -0.0000091800000000, -0.0000263800000000, 0.0001742500000000 ] - [ 0.0002637000000000, 0.0002857800000000, 0.0003073700000000 ] - [ -0.0009073100000000, 0.0014279700000000, -0.0001263400000000 ] - [ 0.0005647400000000, -0.0003823200000000, 0.0001219000000000 ] - [ 0.0002139200000000, 0.0006470500000000, -0.0000090000000000 ] - [ 0.0001872400000000, -0.0004825900000000, 0.0000006900000000 ] - [ 0.0005103300000000, 0.0006720600000000, -0.0001313000000000 ] - [ -0.0001864300000000, -0.0002916500000000, -0.0002887600000000 ] - [ 0.0005025900000000, -0.0001263400000000, 0.0003864600000000 ] - [ 0.0003080600000000, 0.0002669200000000, 0.0005476100000000 ] - [ -0.0000263300000000, 0.0002949900000000, -0.0002980400000000 ] - [ -0.0061328500000000, -0.0003341400000000, 0.0025664100000000 ] - [ 0.0002226800000000, 0.0003468700000000, 0.0000562500000000 ] - [ 0.0001626400000000, -0.0002998300000000, 0.0000332400000000 ] - [ -0.0002688400000000, -0.0004278100000000, 0.0000447000000000 ] - [ 0.0001457300000000, 0.0004979300000000, 0.0002927000000000 ] - [ -0.0027772200000000, 0.0046285600000000, -0.0018483100000000 ] - [ -0.0001360100000000, -0.0004942500000000, -0.0002545800000000 ] - [ 0.0000726100000000, -0.0006130600000000, 0.0003634200000000 ] - [ 0.0016187100000000, -0.0009952300000000, 0.0029634400000000 ] - [ -0.0000771200000000, 0.0003208200000000, 0.0000892100000000 ] - [ 0.0000738500000000, -0.0002646700000000, 0.0002150500000000 ] - [ 0.0000029000000000, -0.0003402800000000, -0.0001404800000000 ] - [ 0.1262054700000000, 0.0225464400000000, -0.0050053900000000 ] - [ -0.0001083700000000, 0.0002879300000000, 0.0001934900000000 ] - [ -0.0006389000000000, -0.0009320900000000, 0.0001530300000000 ] - [ 0.0000070500000000, -0.0003631300000000, -0.0002812900000000 ] - [ 0.0002322300000000, 0.0001836300000000, 0.0002451100000000 ] - [ 0.0013530000000000, 0.0044945600000000, -0.0010850600000000 ] - [ -0.0000976000000000, -0.0000500400000000, -0.0000875900000000 ] - [ 0.0007322900000000, -0.0005552700000000, -0.0001677300000000 ] - [ 0.0031446700000000, 0.0000917500000000, -0.0010078100000000 ] - [ -0.0005210000000000, -0.0003932400000000, 0.0008068800000000 ] - [ -0.0001456500000000, 0.0000916100000000, 0.0003353100000000 ] - [ 0.0022894900000000, 0.0011866700000000, -0.0007586300000000 ] - [ -0.0002147900000000, 0.0003828900000000, 0.0000242800000000 ] - [ 0.0001967700000000, 0.0003350800000000, -0.0000310600000000 ] - [ 0.0020556200000000, -0.0024171100000000, -0.0019760100000000 ] - [ -0.0003468700000000, -0.0003566900000000, -0.0000014300000000 ] - [ 0.0003010000000000, 0.0004680400000000, 0.0003578000000000 ] - [ -0.0004273600000000, 0.0004645300000000, -0.0002408300000000 ] - [ -0.0001954900000000, -0.0004804200000000, -0.0003250600000000 ] - [ -0.0014923600000000, -0.0027218500000000, 0.0006400700000000 ] - [ -0.0003081000000000, 0.0002467200000000, -0.0004354600000000 ] - [ 0.0001855200000000, 0.0002607500000000, 0.0003939800000000 ] - [ -0.0061094100000000, -0.0021405300000000, -0.0027268900000000 ] - [ -0.0001608400000000, -0.0002593500000000, -0.0003291600000000 ] - [ -0.0002687700000000, 0.0002084900000000, -0.0002237200000000 ] - [ 0.0001374800000000, 0.0002444600000000, 0.0002052200000000 ] - [ -0.0003351000000000, -0.0005917500000000, 0.0002726900000000 ] - [ -0.0003018600000000, -0.0002784500000000, -0.0002331800000000 ] - [ 0.0000642700000000, 0.0000772300000000, 0.0003018300000000 ] - [ -0.0003279800000000, 0.0002928700000000, -0.0005198500000000 ] - [ -0.0003041600000000, -0.0000209200000000, -0.0003472500000000 ] - [ 0.0000881700000000, -0.0001641200000000, 0.0003403400000000 ] - [ -0.0000696600000000, -0.0002283100000000, -0.0004648500000000 ] - [ -0.0000722900000000, -0.0007483800000000, 0.0001947400000000 ] - [ 0.0000144200000000, 0.0001057800000000, 0.0009192500000000 ] - [ -0.0000735500000000, 0.0001285500000000, -0.0004841900000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006964700000000, -0.0000016600000000, 0.0002527000000000 ] - [ 0.0003078000000000, 0.0004962100000000, 0.0002302000000000 ] - [ 0.0003764100000000, -0.0004725300000000, 0.0002725800000000 ] - [ -0.0003899300000000, -0.0004995800000000, -0.0000674000000000 ] - [ 0.0060924500000000, 0.0082403500000000, 0.0085680700000000 ] - [ 0.0002870600000000, -0.0000990000000000, -0.0006938900000000 ] - [ 0.0002151800000000, 0.0002690700000000, -0.0011543200000000 ] - [ -0.0003141300000000, 0.0000890400000000, 0.0008346300000000 ] - [ -0.0000897900000000, 0.0001236300000000, -0.0002587600000000 ] - [ 0.0000482000000000, -0.0002945200000000, 0.0002683800000000 ] - [ -0.0093810000000000, 0.0037910200000000, 0.0006928400000000 ] - [ -0.0000141100000000, -0.0000364800000000, -0.0003520100000000 ] - [ -0.0002464900000000, 0.0000754800000000, -0.0000876600000000 ] - [ 0.0002301400000000, 0.0004781100000000, 0.0003486000000000 ] - [ 0.0259751800000000, 0.0392433100000000, -0.0065383300000000 ] - [ -0.0003136900000000, -0.0004849400000000, -0.0002164100000000 ] - [ -0.0003343300000000, -0.0000622200000000, 0.0007588000000000 ] - [ 0.0006464700000000, -0.0001214400000000, -0.0009634200000000 ] - [ 0.0011044300000000, 0.0029577800000000, -0.0002297100000000 ] - [ -0.0002861900000000, 0.0000714600000000, 0.0007142800000000 ] - [ 0.0011775300000000, 0.0013547000000000, -0.0023164500000000 ] - [ -0.0000136400000000, 0.0000982800000000, 0.0003651000000000 ] - [ 0.0000354100000000, -0.0001078200000000, 0.0003323500000000 ] - [ 0.0000962000000000, -0.0000387800000000, -0.0002085000000000 ] - [ -0.0003462300000000, -0.0007262300000000, 0.0005029100000000 ] - [ -0.0000257400000000, 0.0001685300000000, -0.0002750000000000 ] - [ -0.0007769900000000, -0.0000730300000000, 0.0016470200000000 ] - [ 0.0000673700000000, 0.0004033700000000, -0.0000237000000000 ] - [ -0.0003223200000000, -0.0002253100000000, -0.0003050700000000 ] - [ -0.0014402600000000, 0.0000446300000000, 0.0003159300000000 ] - [ 0.0003050700000000, 0.0002354800000000, 0.0003555500000000 ] - [ 0.0001740300000000, -0.0003209000000000, -0.0007868900000000 ] - [ -0.0001287800000000, -0.0006234000000000, -0.0000586900000000 ] - [ -0.0001196200000000, 0.0005667100000000, 0.0000209700000000 ] - [ -0.0000833500000000, -0.0004987400000000, -0.0000149800000000 ] - [ -0.0000167300000000, 0.0005681200000000, 0.0000462400000000 ] - [ -0.0003261900000000, -0.0002475300000000, -0.0003458100000000 ] - [ -0.0000857200000000, -0.0005175300000000, 0.0002048400000000 ] - [ 0.0003243900000000, 0.0002687800000000, 0.0002753400000000 ] - [ -0.0003964600000000, 0.0002525900000000, -0.0003377800000000 ] - [ -0.0022488200000000, -0.0005118000000000, 0.0011770000000000 ] - [ 0.0002699500000000, 0.0003951700000000, -0.0000160800000000 ] - [ 0.0003149400000000, -0.0004095100000000, -0.0000823000000000 ] - [ -0.0002742600000000, -0.0004835900000000, -0.0000133100000000 ] - [ 0.0001843100000000, 0.0004986500000000, 0.0003236400000000 ] - [ -0.0032123600000000, -0.0006048200000000, -0.0007014000000000 ] - [ -0.0001834200000000, -0.0004883600000000, -0.0004120900000000 ] - [ 0.0001960900000000, -0.0005243400000000, 0.0003029100000000 ] - [ 0.0003803700000000, -0.0003586200000000, -0.0025825200000000 ] - [ 0.0000741100000000, 0.0002724900000000, 0.0002040100000000 ] - [ 0.0001215600000000, -0.0002570000000000, 0.0002526600000000 ] - [ -0.0001100300000000, -0.0001492000000000, -0.0002632600000000 ] - [ -0.0232317100000000, -0.0626142000000000, 0.0001472200000000 ] - [ 0.0000075500000000, 0.0003298400000000, 0.0002358700000000 ] - [ 0.0006198800000000, 0.0001958100000000, 0.0005225400000000 ] - [ -0.0000866200000000, -0.0003861200000000, -0.0002938000000000 ] - [ 0.0001792700000000, 0.0001518300000000, 0.0002445500000000 ] - [ -0.0031383500000000, 0.0044792800000000, -0.0029634200000000 ] - [ -0.0001618500000000, -0.0001615500000000, -0.0002362900000000 ] - [ 0.0003639200000000, -0.0004531700000000, 0.0003009600000000 ] - [ -0.0008882500000000, -0.0006605900000000, -0.0022740200000000 ] - [ -0.0000066800000000, -0.0002559400000000, 0.0004023100000000 ] - [ -0.0000689900000000, 0.0001614700000000, 0.0005115300000000 ] - [ -0.0008626900000000, 0.0016454200000000, 0.0022590300000000 ] - [ -0.0002725700000000, 0.0003973200000000, 0.0000445600000000 ] - [ 0.0003552100000000, 0.0003191500000000, 0.0000258900000000 ] - [ 0.0018273500000000, 0.0014382800000000, 0.0023046000000000 ] - [ -0.0002685600000000, -0.0003700000000000, 0.0000206200000000 ] - [ 0.0001630100000000, 0.0004927800000000, 0.0003031400000000 ] - [ -0.0000935900000000, 0.0006137300000000, -0.0003839000000000 ] - [ -0.0001851600000000, -0.0005274900000000, -0.0003200900000000 ] - [ 0.0062286500000000, 0.0046341800000000, -0.0009960500000000 ] - [ 0.0001643100000000, 0.0002859700000000, -0.0000911600000000 ] - [ 0.0000599400000000, 0.0002347600000000, -0.0001583600000000 ] - [ 0.0009185500000000, -0.0012003600000000, 0.0002516300000000 ] - [ -0.0000629200000000, -0.0002755400000000, -0.0001988100000000 ] - [ 0.0000707100000000, 0.0003818400000000, -0.0001979000000000 ] - [ -0.0000620000000000, 0.0003644200000000, 0.0002071700000000 ] - [ 0.0002947500000000, -0.0009358300000000, 0.0002829800000000 ] - [ 0.0000186000000000, -0.0003317200000000, -0.0002095100000000 ] - [ 0.0001185900000000, 0.0000795500000000, 0.0002774200000000 ] - [ -0.0002503200000000, 0.0001945000000000, -0.0002878800000000 ] - [ -0.0001487000000000, -0.0001302600000000, -0.0002094100000000 ] - [ 0.0000734500000000, -0.0000785500000000, 0.0003701900000000 ] - [ 0.0000517800000000, -0.0001688500000000, -0.0004896200000000 ] - [ -0.0000018600000000, 0.0000714900000000, 0.0008035400000000 ] - [ 0.0000070100000000, 0.0001460200000000, 0.0002883500000000 ] - [ 0.0000477800000000, 0.0002084400000000, -0.0004557000000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013546700000000, 0.0009926900000000, -0.0006784500000000 ] - [ 0.0003342100000000, 0.0004997400000000, 0.0002651500000000 ] - [ 0.0002890200000000, -0.0004811000000000, 0.0001860800000000 ] - [ -0.0002435600000000, -0.0005138100000000, -0.0004053400000000 ] - [ -0.0067963300000000, -0.0085178300000000, -0.0071787300000000 ] - [ 0.0002940300000000, -0.0001014600000000, -0.0008088300000000 ] - [ 0.0004018000000000, -0.0000482700000000, -0.0003724100000000 ] - [ -0.0002841900000000, 0.0001161400000000, 0.0007248900000000 ] - [ 0.0001163600000000, 0.0000787500000000, -0.0004626800000000 ] - [ -0.0000713500000000, 0.0005194500000000, 0.0004192700000000 ] - [ 0.0091601800000000, -0.0040120800000000, 0.0001753400000000 ] - [ 0.0000267700000000, -0.0001718100000000, -0.0003337200000000 ] - [ -0.0004329300000000, 0.0009247400000000, -0.0003914100000000 ] - [ 0.0004290800000000, 0.0004554700000000, 0.0001077300000000 ] - [ -0.0239812000000000, -0.0382924800000000, 0.0065276200000000 ] - [ -0.0003484300000000, -0.0004719500000000, -0.0002167900000000 ] - [ -0.0002697300000000, -0.0001555600000000, 0.0007868700000000 ] - [ -0.0000134300000000, -0.0001077400000000, -0.0005502100000000 ] - [ -0.0004218400000000, -0.0027561300000000, -0.0012976500000000 ] - [ -0.0003170500000000, 0.0001147100000000, 0.0007588000000000 ] - [ -0.0011052600000000, -0.0011922600000000, 0.0016477600000000 ] - [ -0.0000412400000000, 0.0001172200000000, 0.0003632200000000 ] - [ -0.0000715600000000, -0.0001081700000000, 0.0003647600000000 ] - [ -0.0000345300000000, -0.0001598300000000, -0.0005184500000000 ] - [ 0.0003517600000000, -0.0004385900000000, -0.0005114000000000 ] - [ 0.0000267600000000, 0.0010004200000000, 0.0002958600000000 ] - [ 0.0007687500000000, -0.0009117900000000, -0.0016362100000000 ] - [ -0.0000729400000000, 0.0005787300000000, 0.0000157100000000 ] - [ -0.0002904600000000, -0.0002699100000000, -0.0003672000000000 ] - [ 0.0020438000000000, -0.0005659300000000, 0.0003506200000000 ] - [ 0.0002993200000000, 0.0002581800000000, 0.0003103900000000 ] - [ -0.0007781300000000, 0.0008313400000000, 0.0001281300000000 ] - [ 0.0001303800000000, -0.0005462800000000, 0.0000568400000000 ] - [ 0.0001159200000000, 0.0006061600000000, -0.0000225300000000 ] - [ 0.0000814800000000, -0.0004754500000000, 0.0000136600000000 ] - [ 0.0000194400000000, 0.0004055100000000, -0.0000483800000000 ] - [ -0.0002819700000000, -0.0002459700000000, -0.0003218900000000 ] - [ 0.0006992400000000, 0.0000259500000000, 0.0004609700000000 ] - [ 0.0002862700000000, 0.0002286400000000, 0.0003881200000000 ] - [ -0.0002138400000000, 0.0002439500000000, -0.0003328000000000 ] - [ 0.0016744900000000, 0.0012679800000000, -0.0011362600000000 ] - [ 0.0002814400000000, 0.0003863400000000, -0.0000138700000000 ] - [ 0.0002267500000000, -0.0003597300000000, 0.0000607300000000 ] - [ -0.0002522400000000, -0.0003154700000000, 0.0000241100000000 ] - [ 0.0001777500000000, 0.0005228500000000, 0.0003293900000000 ] - [ 0.0028726800000000, 0.0016987600000000, 0.0000457600000000 ] - [ -0.0001751300000000, -0.0005483700000000, -0.0002206600000000 ] - [ 0.0001824700000000, -0.0005379000000000, 0.0003349300000000 ] - [ -0.0005337300000000, 0.0009128800000000, 0.0021447900000000 ] - [ 0.0000601100000000, 0.0002793700000000, 0.0002129600000000 ] - [ 0.0000034800000000, -0.0002858900000000, 0.0001870200000000 ] - [ -0.0000025100000000, -0.0004318100000000, -0.0001751100000000 ] - [ 0.0220703200000000, 0.0613792700000000, -0.0000604400000000 ] - [ 0.0000142200000000, 0.0003494700000000, 0.0002047700000000 ] - [ -0.0006405600000000, -0.0008555200000000, -0.0001350600000000 ] - [ 0.0000528600000000, -0.0002940400000000, -0.0001104900000000 ] - [ 0.0001645700000000, 0.0001799100000000, 0.0002295500000000 ] - [ 0.0028108100000000, -0.0041812600000000, 0.0024767500000000 ] - [ -0.0001920900000000, -0.0001742300000000, -0.0002405100000000 ] - [ 0.0000050100000000, 0.0001150700000000, 0.0001909800000000 ] - [ 0.0009504800000000, 0.0003579400000000, 0.0013136900000000 ] - [ -0.0000612000000000, -0.0001198300000000, 0.0004854900000000 ] - [ -0.0000146700000000, 0.0001811800000000, 0.0004291800000000 ] - [ 0.0009571800000000, -0.0013036800000000, -0.0032218200000000 ] - [ -0.0002829700000000, 0.0003930900000000, -0.0000470300000000 ] - [ 0.0001881500000000, 0.0004480100000000, -0.0000497600000000 ] - [ -0.0012351700000000, -0.0021720400000000, -0.0023054800000000 ] - [ -0.0002714600000000, -0.0003729000000000, 0.0000114100000000 ] - [ 0.0002284700000000, 0.0005701700000000, 0.0003283200000000 ] - [ -0.0002992500000000, 0.0004299700000000, -0.0002543100000000 ] - [ -0.0001831200000000, -0.0005249500000000, -0.0003293700000000 ] - [ -0.0058267800000000, -0.0056425700000000, 0.0016413600000000 ] - [ -0.0002894000000000, 0.0002728200000000, -0.0003432900000000 ] - [ 0.0000863500000000, 0.0003123300000000, 0.0005865700000000 ] - [ -0.0008038600000000, 0.0006518000000000, 0.0001431600000000 ] - [ -0.0000984100000000, -0.0002710500000000, -0.0002324700000000 ] - [ -0.0000931800000000, 0.0002891100000000, -0.0002168300000000 ] - [ 0.0000443200000000, 0.0003112600000000, 0.0001916900000000 ] - [ -0.0002871500000000, 0.0002792000000000, 0.0001428600000000 ] - [ -0.0000162800000000, -0.0003394800000000, -0.0002022000000000 ] - [ 0.0002315600000000, 0.0002564700000000, 0.0002095100000000 ] - [ -0.0001203200000000, 0.0001506200000000, -0.0001974700000000 ] - [ -0.0002009500000000, -0.0002035600000000, -0.0002774800000000 ] - [ 0.0002633200000000, -0.0002498000000000, 0.0001008300000000 ] - [ 0.0000112900000000, -0.0001857400000000, -0.0004345000000000 ] - [ -0.0000864000000000, -0.0004268400000000, 0.0001397900000000 ] - [ -0.0000598900000000, 0.0002048800000000, 0.0006238400000000 ] - [ 0.0000187300000000, 0.0001425600000000, -0.0004777500000000 ]- atom: 53 displacement: [ -0.0002562758177658, 0.0000000000000000, 0.0099967155958959 ] forces: - [ -0.0002709700000000, 0.0011592400000000, 0.0016082000000000 ] - [ 0.0003309800000000, 0.0004338700000000, 0.0003021600000000 ] - [ 0.0003508000000000, -0.0005603800000000, 0.0001041600000000 ] - [ -0.0003851500000000, -0.0005062200000000, -0.0002612200000000 ] - [ 0.0269994700000000, 0.0088638500000000, 0.0173318000000000 ] - [ 0.0001699100000000, -0.0001838800000000, -0.0009492900000000 ] - [ 0.0003091900000000, 0.0000405600000000, -0.0005899400000000 ] - [ -0.0006303700000000, 0.0006237500000000, 0.0001455900000000 ] - [ -0.0000020200000000, 0.0002457300000000, -0.0002867900000000 ] - [ 0.0003701600000000, 0.0010911300000000, 0.0008849300000000 ] - [ -0.0271160300000000, -0.0008108600000000, 0.0191780100000000 ] - [ 0.0000433200000000, -0.0000638100000000, -0.0004011500000000 ] - [ -0.0002953100000000, 0.0005008800000000, -0.0003640000000000 ] - [ 0.0003606200000000, 0.0003979700000000, 0.0002677500000000 ] - [ -0.0073772400000000, -0.0077866500000000, 0.0108351500000000 ] - [ -0.0003159100000000, -0.0004749900000000, -0.0002276700000000 ] - [ -0.0002952600000000, -0.0000621200000000, 0.0008230000000000 ] - [ 0.0002438000000000, -0.0002149800000000, -0.0007993200000000 ] - [ -0.0013745300000000, -0.0001037400000000, -0.0013115200000000 ] - [ -0.0004133000000000, 0.0001121900000000, 0.0007054200000000 ] - [ 0.0010189800000000, -0.0012250400000000, 0.0006513000000000 ] - [ 0.0000311300000000, 0.0001303100000000, 0.0003645300000000 ] - [ -0.0000108500000000, -0.0000566700000000, 0.0003460300000000 ] - [ -0.0000111800000000, -0.0000827700000000, -0.0004494900000000 ] - [ -0.0002575100000000, -0.0007937300000000, 0.0001945100000000 ] - [ 0.0009684400000000, 0.0007704300000000, 0.0020495500000000 ] - [ -0.0012247400000000, 0.0005307800000000, 0.0017948800000000 ] - [ -0.0000436100000000, 0.0004194900000000, -0.0000364000000000 ] - [ -0.0002846600000000, -0.0002908600000000, -0.0003748800000000 ] - [ 0.0007291900000000, -0.0002418900000000, 0.0008625100000000 ] - [ 0.0003107300000000, 0.0002493500000000, 0.0002995000000000 ] - [ -0.0004738300000000, 0.0006977000000000, -0.0003539300000000 ] - [ -0.0002131800000000, -0.0007166700000000, 0.0000086900000000 ] - [ 0.0000265900000000, 0.0005945300000000, -0.0000078500000000 ] - [ -0.0000086700000000, -0.0004945600000000, 0.0000043400000000 ] - [ 0.0002001100000000, 0.0006323000000000, -0.0000476000000000 ] - [ -0.0002965500000000, -0.0002535400000000, -0.0003382500000000 ] - [ 0.0004102400000000, -0.0002282200000000, 0.0004030100000000 ] - [ 0.0003235300000000, 0.0002450500000000, 0.0000846200000000 ] - [ -0.0003007500000000, 0.0002440400000000, -0.0003132600000000 ] - [ -0.0049901600000000, 0.0001544900000000, 0.0010706500000000 ] - [ 0.0002419000000000, 0.0003910700000000, -0.0000033200000000 ] - [ 0.0002672400000000, -0.0003966100000000, -0.0000056500000000 ] - [ -0.0002965500000000, -0.0003321900000000, -0.0000460000000000 ] - [ 0.0001855500000000, 0.0005331200000000, 0.0003369200000000 ] - [ 0.0007028300000000, -0.0000865000000000, -0.0019170000000000 ] - [ -0.0002101800000000, -0.0007348600000000, -0.0003648800000000 ] - [ 0.0001922200000000, -0.0005066600000000, 0.0003096700000000 ] - [ -0.0019937600000000, -0.0017808300000000, 0.0016843000000000 ] - [ 0.0001779200000000, 0.0002482400000000, 0.0002891400000000 ] - [ 0.0000247500000000, -0.0002726200000000, 0.0002057300000000 ] - [ -0.0000054600000000, -0.0004244200000000, -0.0003105900000000 ] - [ 0.0074856200000000, 0.0009223100000000, -0.0613005200000000 ] - [ 0.0000217700000000, 0.0003244900000000, 0.0003368400000000 ] - [ 0.0000358900000000, -0.0000119400000000, 0.0000133100000000 ] - [ 0.0000557200000000, -0.0002489000000000, -0.0002050300000000 ] - [ 0.0001896800000000, 0.0001616500000000, 0.0002423300000000 ] - [ 0.0011941800000000, -0.0020987900000000, 0.0000527300000000 ] - [ -0.0001580600000000, -0.0001085300000000, -0.0002313400000000 ] - [ 0.0000560500000000, -0.0005298500000000, -0.0000541800000000 ] - [ 0.0000026200000000, -0.0023690200000000, 0.0041680700000000 ] - [ -0.0003378100000000, -0.0002395100000000, 0.0005594600000000 ] - [ 0.0001206300000000, 0.0002136500000000, 0.0005200500000000 ] - [ 0.0000843000000000, 0.0024603800000000, 0.0021637200000000 ] - [ -0.0002873100000000, 0.0003786300000000, 0.0000001800000000 ] - [ 0.0002156400000000, 0.0002937400000000, -0.0000477700000000 ] - [ 0.0021787700000000, 0.0018913100000000, -0.0004409900000000 ] - [ -0.0003061000000000, -0.0003762800000000, 0.0000368000000000 ] - [ 0.0002072200000000, 0.0005540600000000, 0.0002544200000000 ] - [ -0.0001666200000000, 0.0004955500000000, -0.0003241400000000 ] - [ -0.0001897800000000, -0.0005262300000000, -0.0003158700000000 ] - [ -0.0014374700000000, -0.0024382900000000, -0.0003776300000000 ] - [ -0.0000789700000000, 0.0002862800000000, -0.0002075600000000 ] - [ 0.0001640600000000, 0.0002549200000000, 0.0003154100000000 ] - [ 0.0055047800000000, 0.0008413300000000, 0.0018496400000000 ] - [ -0.0000309900000000, -0.0002838400000000, -0.0001940600000000 ] - [ -0.0000025400000000, 0.0003449400000000, -0.0002053100000000 ] - [ -0.0000020900000000, 0.0003263800000000, 0.0002335700000000 ] - [ -0.0000566200000000, -0.0002687500000000, -0.0003074400000000 ] - [ 0.0000144200000000, -0.0003274600000000, -0.0001480400000000 ] - [ 0.0001714600000000, 0.0001042300000000, 0.0002742300000000 ] - [ -0.0003691700000000, 0.0001763800000000, -0.0003923600000000 ] - [ -0.0001360700000000, -0.0001445100000000, -0.0001663400000000 ] - [ 0.0000265000000000, 0.0000392200000000, 0.0004309900000000 ] - [ 0.0000781000000000, -0.0001614900000000, -0.0004643200000000 ] - [ -0.0001469900000000, 0.0000319600000000, 0.0003532700000000 ] - [ -0.0000159700000000, 0.0002562800000000, 0.0006708700000000 ] - [ 0.0000232700000000, 0.0001519300000000, -0.0004790300000000 ]- atom: 53 displacement: [ 0.0002562758177658, 0.0000000000000000, -0.0099967155958959 ] forces: - [ -0.0003124100000000, -0.0001805800000000, -0.0020549100000000 ] - [ 0.0002978100000000, 0.0005489400000000, 0.0001845200000000 ] - [ 0.0002939700000000, -0.0003854900000000, 0.0003502500000000 ] - [ -0.0002299100000000, -0.0004946700000000, -0.0002071800000000 ] - [ -0.0268717800000000, -0.0088859900000000, -0.0154813000000000 ] - [ 0.0004227900000000, -0.0000251100000000, -0.0005709700000000 ] - [ 0.0003110400000000, 0.0001844900000000, -0.0009511400000000 ] - [ 0.0000158700000000, -0.0004165000000000, 0.0014146100000000 ] - [ 0.0000324300000000, -0.0000278200000000, -0.0004253300000000 ] - [ -0.0003989100000000, -0.0008683700000000, -0.0001921200000000 ] - [ 0.0277790600000000, 0.0005345200000000, -0.0187577200000000 ] - [ -0.0000164100000000, -0.0001574400000000, -0.0002805300000000 ] - [ -0.0003601200000000, 0.0004845300000000, -0.0001055000000000 ] - [ 0.0002775700000000, 0.0005295100000000, 0.0001829900000000 ] - [ 0.0080579300000000, 0.0068163700000000, -0.0103504800000000 ] - [ -0.0003284400000000, -0.0004748500000000, -0.0002091500000000 ] - [ -0.0003181900000000, -0.0001601300000000, 0.0007259800000000 ] - [ 0.0003970300000000, -0.0000193200000000, -0.0007328400000000 ] - [ 0.0019954900000000, 0.0003243300000000, -0.0001900800000000 ] - [ -0.0001939200000000, 0.0000859000000000, 0.0007888200000000 ] - [ -0.0009504500000000, 0.0014436600000000, -0.0013432600000000 ] - [ -0.0000854100000000, 0.0000977700000000, 0.0003556600000000 ] - [ -0.0000340100000000, -0.0001690300000000, 0.0003453200000000 ] - [ 0.0000755100000000, -0.0001355100000000, -0.0002716400000000 ] - [ 0.0002470900000000, -0.0003753100000000, -0.0002051200000000 ] - [ -0.0010151000000000, 0.0003946600000000, -0.0021370800000000 ] - [ 0.0011790600000000, -0.0014617600000000, -0.0017404900000000 ] - [ 0.0000359200000000, 0.0005539700000000, 0.0000355200000000 ] - [ -0.0003328400000000, -0.0002036700000000, -0.0002899500000000 ] - [ -0.0000999500000000, -0.0002659000000000, -0.0001976400000000 ] - [ 0.0002948100000000, 0.0002476300000000, 0.0003631300000000 ] - [ -0.0001437900000000, -0.0001858100000000, -0.0003054300000000 ] - [ 0.0002180600000000, -0.0004503500000000, -0.0000107200000000 ] - [ -0.0000272300000000, 0.0005761800000000, 0.0000079100000000 ] - [ 0.0000092900000000, -0.0004803900000000, -0.0000063700000000 ] - [ -0.0001964100000000, 0.0003425000000000, 0.0000465400000000 ] - [ -0.0003118200000000, -0.0002442500000000, -0.0003257900000000 ] - [ 0.0002060000000000, -0.0002686800000000, 0.0002601500000000 ] - [ 0.0002897800000000, 0.0002564000000000, 0.0005777200000000 ] - [ -0.0003101600000000, 0.0002558400000000, -0.0003535600000000 ] - [ 0.0044572000000000, 0.0005945700000000, -0.0010368200000000 ] - [ 0.0003061600000000, 0.0003862600000000, -0.0000209300000000 ] - [ 0.0002694700000000, -0.0003683100000000, -0.0000175600000000 ] - [ -0.0002273800000000, -0.0004671800000000, 0.0000591800000000 ] - [ 0.0001790900000000, 0.0004885700000000, 0.0003125800000000 ] - [ -0.0010887800000000, 0.0011521100000000, 0.0012680500000000 ] - [ -0.0001492200000000, -0.0002954600000000, -0.0002710300000000 ] - [ 0.0001829400000000, -0.0005517800000000, 0.0003284400000000 ] - [ 0.0018985700000000, 0.0023671900000000, -0.0021563500000000 ] - [ -0.0000390500000000, 0.0003051400000000, 0.0001323200000000 ] - [ 0.0001096200000000, -0.0002717600000000, 0.0002397500000000 ] - [ -0.0001122900000000, -0.0001569800000000, -0.0001286500000000 ] - [ -0.0090123500000000, -0.0004348800000000, 0.0608904100000000 ] - [ 0.0000001500000000, 0.0003540200000000, 0.0001022500000000 ] - [ -0.0000404900000000, -0.0006391000000000, 0.0003793500000000 ] - [ -0.0000886700000000, -0.0004312800000000, -0.0002027700000000 ] - [ 0.0001552200000000, 0.0001680800000000, 0.0002312400000000 ] - [ -0.0015423200000000, 0.0024295700000000, -0.0005060500000000 ] - [ -0.0001919300000000, -0.0002253900000000, -0.0002424100000000 ] - [ 0.0003069100000000, 0.0001887600000000, 0.0005361600000000 ] - [ 0.0001000100000000, 0.0020383600000000, -0.0050909700000000 ] - [ 0.0002685200000000, -0.0001342700000000, 0.0003381600000000 ] - [ -0.0002003300000000, 0.0001317400000000, 0.0004176100000000 ] - [ 0.0000191100000000, -0.0021295200000000, -0.0030974900000000 ] - [ -0.0002628100000000, 0.0004056100000000, 0.0000003900000000 ] - [ 0.0003259300000000, 0.0004662800000000, 0.0000237500000000 ] - [ -0.0016016600000000, -0.0026567100000000, 0.0004110600000000 ] - [ -0.0002308400000000, -0.0003684500000000, -0.0000042700000000 ] - [ 0.0001805400000000, 0.0005102100000000, 0.0003809100000000 ] - [ -0.0002219700000000, 0.0005434100000000, -0.0003149300000000 ] - [ -0.0001763500000000, -0.0005250200000000, -0.0003316800000000 ] - [ 0.0017950500000000, 0.0013822900000000, 0.0010464600000000 ] - [ -0.0000524300000000, 0.0002736300000000, -0.0002276200000000 ] - [ -0.0000100900000000, 0.0002934700000000, 0.0001163100000000 ] - [ -0.0054157700000000, -0.0013905900000000, -0.0014550200000000 ] - [ -0.0001318800000000, -0.0002655200000000, -0.0002448100000000 ] - [ -0.0000232500000000, 0.0003277700000000, -0.0002128700000000 ] - [ -0.0000145600000000, 0.0003494800000000, 0.0001665700000000 ] - [ 0.0000763300000000, -0.0003970300000000, 0.0007381300000000 ] - [ -0.0000190100000000, -0.0003403400000000, -0.0002634900000000 ] - [ 0.0001772100000000, 0.0002284100000000, 0.0002091000000000 ] - [ 0.0000025100000000, 0.0001627100000000, -0.0000881300000000 ] - [ -0.0002170000000000, -0.0001888000000000, -0.0003209100000000 ] - [ 0.0003089900000000, -0.0003645600000000, 0.0000372700000000 ] - [ -0.0000173400000000, -0.0001956600000000, -0.0004562500000000 ] - [ 0.0000647300000000, -0.0003885100000000, 0.0005945700000000 ] - [ -0.0000399100000000, 0.0000987300000000, 0.0002441200000000 ] - [ 0.0000441900000000, 0.0002004600000000, -0.0004560000000000 ]- atom: 57 displacement: [ 0.0099999862199687, 0.0000000000000000, 0.0000166012179150 ] forces: - [ -0.0003590800000000, 0.0004492700000000, -0.0002248400000000 ] - [ 0.0000277000000000, 0.0000314600000000, 0.0002578300000000 ] - [ 0.0003997100000000, -0.0003359100000000, 0.0003051500000000 ] - [ -0.0002743600000000, -0.0004330200000000, -0.0004403000000000 ] - [ -0.0003252100000000, -0.0002089400000000, 0.0007866600000000 ] - [ 0.0007826600000000, 0.0019324600000000, 0.0001887000000000 ] - [ 0.0002839100000000, 0.0000901800000000, -0.0007593900000000 ] - [ -0.0000853700000000, -0.0006068000000000, 0.0008345200000000 ] - [ 0.0000269400000000, 0.0000368500000000, -0.0005049500000000 ] - [ 0.0000530300000000, 0.0003104100000000, 0.0002935100000000 ] - [ 0.0000138100000000, 0.0000281600000000, 0.0003044800000000 ] - [ -0.0002625700000000, 0.0016590000000000, 0.0002355800000000 ] - [ -0.0003679100000000, 0.0005942100000000, -0.0002220000000000 ] - [ 0.0059255500000000, 0.0027757000000000, -0.0029592100000000 ] - [ 0.0004274600000000, -0.0006279300000000, 0.0001567400000000 ] - [ 0.0379561500000000, 0.0122622500000000, 0.0134938700000000 ] - [ -0.0002885400000000, -0.0003552700000000, 0.0005974700000000 ] - [ 0.0006816100000000, 0.0000931800000000, -0.0004917200000000 ] - [ 0.0001206200000000, 0.0000505200000000, -0.0007230200000000 ] - [ 0.0012651700000000, -0.0007956600000000, 0.0007950400000000 ] - [ -0.0000093100000000, 0.0001571200000000, -0.0004456600000000 ] - [ 0.0024797800000000, 0.0004945600000000, 0.0004773000000000 ] - [ 0.0000716400000000, -0.0001820200000000, 0.0005096800000000 ] - [ -0.0004395300000000, 0.0002366000000000, 0.0001733400000000 ] - [ 0.0001979900000000, -0.0003019000000000, -0.0001500400000000 ] - [ 0.0002364700000000, 0.0006607700000000, -0.0000699600000000 ] - [ 0.0001065500000000, -0.0007968200000000, -0.0002374500000000 ] - [ 0.0002122900000000, 0.0018022600000000, 0.0010837900000000 ] - [ 0.0035472200000000, -0.0035504100000000, -0.0016673600000000 ] - [ 0.0002541700000000, -0.0002764400000000, 0.0001446600000000 ] - [ 0.0017067200000000, -0.0024712700000000, 0.0018085400000000 ] - [ -0.0002046600000000, 0.0002980300000000, -0.0003829400000000 ] - [ -0.0001480900000000, -0.0005795600000000, -0.0000389300000000 ] - [ -0.0001377200000000, 0.0005947000000000, -0.0000080000000000 ] - [ -0.0001429900000000, -0.0004917600000000, 0.0000133400000000 ] - [ -0.0001119800000000, 0.0004980600000000, 0.0000289800000000 ] - [ -0.0004255700000000, -0.0001919000000000, -0.0003489000000000 ] - [ 0.0002334800000000, -0.0002581700000000, 0.0003318000000000 ] - [ 0.0001909600000000, 0.0002714200000000, 0.0003466400000000 ] - [ -0.0003592400000000, 0.0002465900000000, -0.0003755400000000 ] - [ -0.0002928100000000, 0.0003871300000000, 0.0000214800000000 ] - [ 0.0006299600000000, 0.0007124900000000, -0.0001836100000000 ] - [ 0.0002292500000000, -0.0004002900000000, -0.0000610100000000 ] - [ -0.0003178400000000, -0.0004012300000000, -0.0000174500000000 ] - [ 0.0003166700000000, 0.0004657200000000, 0.0002075900000000 ] - [ -0.0001415000000000, 0.0005403700000000, -0.0003007300000000 ] - [ -0.0001707600000000, -0.0005104100000000, -0.0004306200000000 ] - [ 0.0001096800000000, -0.0006411600000000, 0.0003948000000000 ] - [ -0.0000223100000000, 0.0003309800000000, -0.0001603000000000 ] - [ 0.0027789200000000, 0.0016389300000000, -0.0016191300000000 ] - [ 0.0002072800000000, -0.0001952500000000, 0.0003228400000000 ] - [ -0.0004265800000000, -0.0001831400000000, -0.0001381800000000 ] - [ -0.0000437200000000, 0.0003458900000000, -0.0001910500000000 ] - [ -0.0015127200000000, 0.0033035500000000, 0.0015372900000000 ] - [ -0.0000922700000000, -0.0003104200000000, 0.0002150500000000 ] - [ -0.0005552900000000, -0.0005186800000000, -0.0003486100000000 ] - [ -0.0764846400000000, -0.0261792300000000, 0.0062479500000000 ] - [ 0.0000509900000000, 0.0002559000000000, -0.0003465700000000 ] - [ 0.0146674900000000, 0.0075286800000000, -0.0195094300000000 ] - [ -0.0000315800000000, -0.0002974400000000, 0.0001817100000000 ] - [ -0.0000318000000000, -0.0000571100000000, -0.0006138700000000 ] - [ -0.0004402900000000, -0.0002111100000000, 0.0010237600000000 ] - [ -0.0006079400000000, 0.0001757400000000, -0.0000175600000000 ] - [ 0.0000235500000000, 0.0001881900000000, -0.0004654300000000 ] - [ -0.0001372100000000, 0.0002842400000000, -0.0000413300000000 ] - [ 0.0014658100000000, 0.0005700600000000, -0.0002869000000000 ] - [ 0.0003228900000000, -0.0003966700000000, 0.0000023600000000 ] - [ 0.0011862500000000, 0.0007703700000000, 0.0012246400000000 ] - [ 0.0001437100000000, 0.0006023100000000, 0.0003998400000000 ] - [ -0.0002647000000000, 0.0006105100000000, -0.0005830400000000 ] - [ 0.0052308200000000, -0.0009636100000000, -0.0002678100000000 ] - [ 0.0001877700000000, -0.0005183200000000, 0.0003834800000000 ] - [ -0.0000584700000000, 0.0003011600000000, -0.0001912500000000 ] - [ 0.0000415200000000, 0.0002623200000000, 0.0001806100000000 ] - [ 0.0000773800000000, -0.0002765900000000, 0.0002330800000000 ] - [ 0.0002008500000000, -0.0001140700000000, 0.0001235300000000 ] - [ 0.0001144300000000, 0.0002794700000000, -0.0002114700000000 ] - [ 0.0001338900000000, 0.0004015700000000, 0.0000191300000000 ] - [ 0.0001168200000000, -0.0003097900000000, 0.0002622300000000 ] - [ 0.0001027900000000, -0.0002434000000000, -0.0003431400000000 ] - [ 0.0002096600000000, 0.0001763300000000, 0.0002621900000000 ] - [ -0.0001982500000000, 0.0001782200000000, -0.0002261700000000 ] - [ -0.0001032200000000, -0.0001446000000000, -0.0001145800000000 ] - [ 0.0002114500000000, -0.0001735500000000, 0.0002639000000000 ] - [ -0.0001020100000000, -0.0004187800000000, -0.0000282000000000 ] - [ 0.0000581800000000, -0.0001384400000000, 0.0005236800000000 ] - [ 0.0000919000000000, 0.0001225000000000, 0.0004285300000000 ] - [ -0.0001334600000000, 0.0000606500000000, -0.0008796500000000 ]- atom: 57 displacement: [ -0.0099999862199687, 0.0000000000000000, -0.0000166012179150 ] forces: - [ -0.0003027500000000, 0.0005246200000000, -0.0002053400000000 ] - [ 0.0006072300000000, 0.0009642100000000, 0.0002335400000000 ] - [ 0.0002570900000000, -0.0006203300000000, 0.0001512900000000 ] - [ -0.0003563000000000, -0.0005732300000000, -0.0000329800000000 ] - [ -0.0002434900000000, 0.0000219200000000, 0.0007168600000000 ] - [ -0.0001950600000000, -0.0021883200000000, -0.0017342300000000 ] - [ 0.0003253200000000, 0.0001264700000000, -0.0007675400000000 ] - [ -0.0005081400000000, 0.0008052500000000, 0.0007290600000000 ] - [ 0.0000019300000000, 0.0001725800000000, -0.0002139000000000 ] - [ -0.0000719200000000, -0.0000936000000000, 0.0003958100000000 ] - [ -0.0000461500000000, -0.0002702100000000, 0.0004220400000000 ] - [ 0.0002697200000000, -0.0019220800000000, -0.0009283100000000 ] - [ -0.0003016300000000, 0.0003937400000000, -0.0002479500000000 ] - [ -0.0052351900000000, -0.0017975600000000, 0.0033108100000000 ] - [ 0.0002279700000000, -0.0003338000000000, 0.0003429000000000 ] - [ -0.0401192500000000, -0.0140467200000000, -0.0144060900000000 ] - [ -0.0003159900000000, 0.0001431700000000, 0.0009414800000000 ] - [ -0.0000457700000000, -0.0003131500000000, -0.0010235700000000 ] - [ 0.0005058300000000, 0.0001610400000000, -0.0007857500000000 ] - [ -0.0018934200000000, 0.0009954000000000, 0.0007038000000000 ] - [ 0.0000490400000000, 0.0000387500000000, -0.0002382600000000 ] - [ -0.0025866300000000, -0.0002734700000000, 0.0002276800000000 ] - [ -0.0001124800000000, -0.0000339800000000, 0.0001786100000000 ] - [ 0.0005000600000000, -0.0004308100000000, -0.0008841200000000 ] - [ -0.0001959000000000, -0.0008695200000000, 0.0001520700000000 ] - [ -0.0002334800000000, 0.0005000800000000, 0.0000705500000000 ] - [ -0.0000967000000000, -0.0001695400000000, 0.0002402400000000 ] - [ -0.0002154600000000, -0.0008416000000000, -0.0010987200000000 ] - [ -0.0040426800000000, 0.0029490300000000, 0.0009342900000000 ] - [ 0.0003550200000000, -0.0002201500000000, 0.0005228300000000 ] - [ -0.0011020700000000, 0.0030040100000000, -0.0011681700000000 ] - [ -0.0003990200000000, 0.0001945300000000, -0.0002846300000000 ] - [ 0.0001427800000000, -0.0005902800000000, 0.0000358700000000 ] - [ 0.0001294100000000, 0.0005780300000000, 0.0000045000000000 ] - [ 0.0001353500000000, -0.0004828500000000, -0.0000130900000000 ] - [ 0.0001082900000000, 0.0004742100000000, -0.0000303300000000 ] - [ -0.0001874100000000, -0.0002998100000000, -0.0003198000000000 ] - [ 0.0003746600000000, -0.0002339000000000, 0.0003349300000000 ] - [ 0.0004148300000000, 0.0002244100000000, 0.0003181200000000 ] - [ -0.0002537100000000, 0.0002474400000000, -0.0002960800000000 ] - [ -0.0002411700000000, 0.0003597700000000, 0.0000052300000000 ] - [ -0.0000872300000000, 0.0000603200000000, 0.0001551000000000 ] - [ 0.0003087600000000, -0.0003614000000000, 0.0000385700000000 ] - [ -0.0002066700000000, -0.0003891700000000, 0.0000304800000000 ] - [ 0.0000466100000000, 0.0005562200000000, 0.0004424500000000 ] - [ -0.0002228100000000, 0.0005218300000000, -0.0003475900000000 ] - [ -0.0001862500000000, -0.0005217700000000, -0.0002050500000000 ] - [ 0.0002680100000000, -0.0004120000000000, 0.0002434000000000 ] - [ -0.0001376400000000, 0.0002223700000000, -0.0002745100000000 ] - [ -0.0027330200000000, -0.0011340900000000, 0.0020635100000000 ] - [ -0.0000729700000000, -0.0003492000000000, 0.0001203000000000 ] - [ 0.0003195200000000, -0.0003811000000000, -0.0002993800000000 ] - [ 0.0000288300000000, 0.0003315200000000, -0.0002216100000000 ] - [ 0.0015850100000000, -0.0026595400000000, -0.0011136400000000 ] - [ 0.0000949000000000, -0.0003405400000000, 0.0001838000000000 ] - [ 0.0005152100000000, -0.0001621700000000, -0.0000631800000000 ] - [ 0.0781811400000000, 0.0273303400000000, -0.0045614600000000 ] - [ -0.0003986200000000, 0.0000744900000000, -0.0001415400000000 ] - [ -0.0148282500000000, -0.0076512800000000, 0.0185145500000000 ] - [ 0.0003968600000000, -0.0000476100000000, 0.0003047500000000 ] - [ 0.0000922100000000, -0.0002656300000000, -0.0003400700000000 ] - [ 0.0003758500000000, -0.0001635100000000, -0.0001344200000000 ] - [ 0.0005365100000000, 0.0001713700000000, 0.0009581400000000 ] - [ 0.0000427900000000, 0.0001615200000000, -0.0004633600000000 ] - [ -0.0004148200000000, 0.0004962300000000, 0.0000474900000000 ] - [ -0.0008703300000000, 0.0002068900000000, 0.0002805100000000 ] - [ 0.0002389200000000, -0.0003773300000000, -0.0000331700000000 ] - [ -0.0017238100000000, -0.0015286100000000, -0.0012159600000000 ] - [ 0.0002385300000000, 0.0004543900000000, 0.0002360400000000 ] - [ -0.0001212600000000, 0.0004260000000000, -0.0000524600000000 ] - [ -0.0057299800000000, -0.0000776000000000, -0.0003794300000000 ] - [ 0.0001772000000000, -0.0005187700000000, 0.0002806200000000 ] - [ -0.0000736300000000, 0.0002558300000000, -0.0002453200000000 ] - [ 0.0001137500000000, 0.0002878800000000, 0.0002515700000000 ] - [ 0.0000551900000000, -0.0002663100000000, 0.0001768900000000 ] - [ -0.0003652500000000, -0.0004384100000000, -0.0005624000000000 ] - [ -0.0001400100000000, 0.0003920100000000, -0.0002093700000000 ] - [ -0.0001365000000000, 0.0002734300000000, 0.0003814900000000 ] - [ -0.0001029600000000, -0.0003606300000000, 0.0001721100000000 ] - [ -0.0001024700000000, -0.0004274500000000, -0.0000694900000000 ] - [ 0.0001447500000000, 0.0001573400000000, 0.0002237100000000 ] - [ -0.0001708100000000, 0.0001617000000000, -0.0002551100000000 ] - [ -0.0002512200000000, -0.0001898000000000, -0.0003716400000000 ] - [ 0.0001256600000000, -0.0001512400000000, 0.0002044600000000 ] - [ 0.0001685600000000, 0.0000584000000000, -0.0008899700000000 ] - [ -0.0001397400000000, -0.0002204300000000, 0.0004165700000000 ] - [ -0.0001397600000000, 0.0002290300000000, 0.0004797500000000 ] - [ 0.0001985100000000, 0.0002927100000000, -0.0000497700000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003933400000000, 0.0004526700000000, -0.0002126000000000 ] - [ -0.0000374100000000, 0.0004699900000000, 0.0004386200000000 ] - [ 0.0003749500000000, -0.0003785600000000, 0.0003079200000000 ] - [ -0.0001692600000000, -0.0005837400000000, -0.0004424500000000 ] - [ -0.0003066200000000, -0.0001213200000000, 0.0007987600000000 ] - [ 0.0014299500000000, 0.0014268600000000, -0.0007949600000000 ] - [ 0.0005969300000000, 0.0004576300000000, -0.0010845600000000 ] - [ -0.0003079500000000, -0.0004112700000000, 0.0008144100000000 ] - [ 0.0000012500000000, -0.0001458000000000, -0.0003390900000000 ] - [ 0.0004001700000000, -0.0000526900000000, 0.0003566800000000 ] - [ 0.0000198600000000, -0.0002028000000000, 0.0003107000000000 ] - [ -0.0004863600000000, 0.0006914900000000, 0.0009663600000000 ] - [ -0.0002519800000000, 0.0004717500000000, -0.0000999300000000 ] - [ 0.0028793200000000, 0.0023958700000000, -0.0019506100000000 ] - [ 0.0000957700000000, -0.0003479200000000, 0.0002516100000000 ] - [ 0.0117782000000000, 0.0235959700000000, 0.0103230600000000 ] - [ -0.0001193000000000, -0.0002895100000000, 0.0006324700000000 ] - [ 0.0001934100000000, 0.0003022200000000, -0.0010243300000000 ] - [ 0.0004808400000000, 0.0000983400000000, -0.0008281600000000 ] - [ 0.0011933000000000, -0.0013365900000000, 0.0007385200000000 ] - [ 0.0001942100000000, 0.0002392500000000, -0.0003614200000000 ] - [ 0.0015820200000000, -0.0008484000000000, 0.0002858700000000 ] - [ -0.0001216900000000, -0.0002400000000000, 0.0003467900000000 ] - [ -0.0002159700000000, 0.0003008700000000, -0.0000187500000000 ] - [ 0.0000325400000000, -0.0008047600000000, 0.0000757200000000 ] - [ -0.0003051800000000, 0.0004318000000000, 0.0003549700000000 ] - [ -0.0003002400000000, -0.0008022400000000, -0.0002003200000000 ] - [ 0.0010236200000000, 0.0055869800000000, 0.0039554400000000 ] - [ -0.0036838400000000, 0.0024423200000000, 0.0010044100000000 ] - [ 0.0002325500000000, -0.0002770600000000, 0.0001927000000000 ] - [ -0.0022074800000000, 0.0052435400000000, -0.0020947400000000 ] - [ -0.0003338800000000, 0.0002623900000000, -0.0003974600000000 ] - [ -0.0000446200000000, -0.0005783200000000, 0.0000104500000000 ] - [ -0.0000220700000000, 0.0005943200000000, -0.0000131200000000 ] - [ -0.0000498200000000, -0.0004741900000000, 0.0000175100000000 ] - [ -0.0000063300000000, 0.0004966900000000, -0.0000212700000000 ] - [ -0.0003565600000000, -0.0001499600000000, -0.0003610100000000 ] - [ 0.0002902300000000, -0.0002522900000000, 0.0003222200000000 ] - [ 0.0003209300000000, 0.0002359600000000, 0.0003561700000000 ] - [ -0.0002784800000000, 0.0002354700000000, -0.0003685200000000 ] - [ -0.0002763500000000, 0.0003864100000000, 0.0000348800000000 ] - [ 0.0005970700000000, 0.0004928800000000, -0.0002342300000000 ] - [ 0.0002427700000000, -0.0004052000000000, -0.0000143800000000 ] - [ -0.0002624400000000, -0.0004871300000000, -0.0000011700000000 ] - [ 0.0000862700000000, 0.0003954100000000, 0.0001356500000000 ] - [ -0.0001665200000000, 0.0006048300000000, -0.0003318400000000 ] - [ -0.0002892800000000, -0.0003168700000000, -0.0002831000000000 ] - [ 0.0000869700000000, -0.0006720200000000, 0.0003527900000000 ] - [ -0.0002188900000000, 0.0002428000000000, -0.0002939200000000 ] - [ 0.0008615800000000, 0.0010471200000000, -0.0013159500000000 ] - [ 0.0000491200000000, -0.0002696700000000, 0.0000801100000000 ] - [ 0.0005986600000000, -0.0004462300000000, -0.0000956700000000 ] - [ -0.0000264200000000, 0.0003256900000000, -0.0002117700000000 ] - [ 0.0042889100000000, 0.0046294500000000, 0.0025772200000000 ] - [ -0.0001118900000000, -0.0003179400000000, 0.0002558200000000 ] - [ -0.0004158900000000, -0.0006236600000000, 0.0001412100000000 ] - [ -0.0264001300000000, -0.0446603700000000, -0.0012685900000000 ] - [ -0.0002648800000000, 0.0000696700000000, -0.0001603000000000 ] - [ 0.0074791800000000, 0.0051710100000000, -0.0117649100000000 ] - [ 0.0003119800000000, -0.0001919600000000, 0.0001837400000000 ] - [ -0.0001235600000000, 0.0000336800000000, -0.0003684300000000 ] - [ -0.0000219800000000, -0.0000905900000000, 0.0006755300000000 ] - [ -0.0003143600000000, 0.0003674200000000, 0.0005367300000000 ] - [ 0.0000968700000000, 0.0003492700000000, -0.0004353700000000 ] - [ -0.0002322800000000, 0.0003693300000000, -0.0000773000000000 ] - [ 0.0005155100000000, 0.0004694700000000, 0.0000492800000000 ] - [ 0.0001835600000000, -0.0004295200000000, 0.0000046200000000 ] - [ 0.0005984500000000, -0.0005122700000000, -0.0002690200000000 ] - [ -0.0001770000000000, 0.0007047500000000, 0.0001599000000000 ] - [ -0.0002468400000000, 0.0005810000000000, -0.0004103700000000 ] - [ 0.0000498000000000, -0.0035720700000000, -0.0004755700000000 ] - [ 0.0001742400000000, -0.0005346000000000, 0.0004025400000000 ] - [ -0.0000586700000000, 0.0002343800000000, -0.0003214400000000 ] - [ 0.0000164600000000, 0.0002601000000000, 0.0001756000000000 ] - [ 0.0000831500000000, -0.0002794000000000, 0.0002403800000000 ] - [ 0.0004496500000000, -0.0003660200000000, 0.0000779900000000 ] - [ 0.0000698200000000, 0.0002459600000000, -0.0002727100000000 ] - [ 0.0001275500000000, 0.0003591100000000, 0.0001978300000000 ] - [ -0.0001352800000000, -0.0002999600000000, 0.0002407900000000 ] - [ -0.0000004800000000, -0.0002487800000000, -0.0004090200000000 ] - [ 0.0001864800000000, 0.0001786600000000, 0.0002453400000000 ] - [ -0.0001944600000000, 0.0002006000000000, -0.0002448200000000 ] - [ -0.0001538500000000, -0.0002594600000000, -0.0001957500000000 ] - [ 0.0001775100000000, -0.0001591900000000, 0.0002302900000000 ] - [ -0.0001229600000000, -0.0005491900000000, 0.0000031200000000 ] - [ 0.0001258500000000, -0.0002086000000000, 0.0004416900000000 ] - [ -0.0000347700000000, 0.0001119200000000, 0.0005060700000000 ] - [ -0.0003299000000000, -0.0000651800000000, -0.0007415700000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002696700000000, 0.0005260500000000, -0.0002178500000000 ] - [ 0.0006795500000000, 0.0005192300000000, 0.0000499300000000 ] - [ 0.0002858200000000, -0.0005770400000000, 0.0001502600000000 ] - [ -0.0004642700000000, -0.0004296300000000, -0.0000328400000000 ] - [ -0.0002593700000000, -0.0000639100000000, 0.0007058300000000 ] - [ -0.0008758000000000, -0.0016248000000000, -0.0007075800000000 ] - [ 0.0000143200000000, -0.0002375200000000, -0.0004445400000000 ] - [ -0.0002869800000000, 0.0006102600000000, 0.0007409000000000 ] - [ 0.0000259500000000, 0.0003466600000000, -0.0003837300000000 ] - [ -0.0004214400000000, 0.0002619200000000, 0.0003382700000000 ] - [ -0.0000459200000000, -0.0000379500000000, 0.0004200000000000 ] - [ 0.0005140300000000, -0.0009025100000000, -0.0016562200000000 ] - [ -0.0004228100000000, 0.0005235300000000, -0.0003714000000000 ] - [ -0.0022039700000000, -0.0014721600000000, 0.0023569500000000 ] - [ 0.0005525300000000, -0.0006111600000000, 0.0002507900000000 ] - [ -0.0127914500000000, -0.0248336800000000, -0.0108807000000000 ] - [ -0.0004785600000000, 0.0000787600000000, 0.0009063900000000 ] - [ 0.0004439300000000, -0.0005266000000000, -0.0004932300000000 ] - [ 0.0001453000000000, 0.0001108100000000, -0.0006748400000000 ] - [ -0.0018205500000000, 0.0015362900000000, 0.0007388500000000 ] - [ -0.0001544100000000, -0.0000501300000000, -0.0003238200000000 ] - [ -0.0016655500000000, 0.0010844500000000, 0.0004333700000000 ] - [ 0.0000830200000000, 0.0000278800000000, 0.0003462000000000 ] - [ 0.0002776400000000, -0.0004922400000000, -0.0007027700000000 ] - [ -0.0000338700000000, -0.0003667700000000, -0.0000755300000000 ] - [ 0.0003083100000000, 0.0007247100000000, -0.0003500300000000 ] - [ 0.0003044900000000, -0.0001645300000000, 0.0002005200000000 ] - [ -0.0009832400000000, -0.0045103600000000, -0.0038378300000000 ] - [ 0.0031753300000000, -0.0029919000000000, -0.0017035100000000 ] - [ 0.0003789100000000, -0.0002251400000000, 0.0004662600000000 ] - [ 0.0027067500000000, -0.0045601100000000, 0.0026377400000000 ] - [ -0.0002751000000000, 0.0002359200000000, -0.0002669600000000 ] - [ 0.0000421200000000, -0.0005919400000000, -0.0000136000000000 ] - [ 0.0000153000000000, 0.0005794300000000, 0.0000107200000000 ] - [ 0.0000449400000000, -0.0004983400000000, -0.0000176300000000 ] - [ 0.0000036000000000, 0.0004738100000000, 0.0000201400000000 ] - [ -0.0002548300000000, -0.0003485600000000, -0.0003016200000000 ] - [ 0.0003211300000000, -0.0002464600000000, 0.0003375800000000 ] - [ 0.0002879900000000, 0.0002668600000000, 0.0003025100000000 ] - [ -0.0003348100000000, 0.0002654600000000, -0.0002961400000000 ] - [ -0.0002573200000000, 0.0003632600000000, -0.0000051800000000 ] - [ -0.0000474300000000, 0.0002870300000000, 0.0002033000000000 ] - [ 0.0002988600000000, -0.0003591500000000, -0.0000075000000000 ] - [ -0.0002604300000000, -0.0003098300000000, 0.0000130700000000 ] - [ 0.0002728700000000, 0.0006310000000000, 0.0005198100000000 ] - [ -0.0001959200000000, 0.0004622800000000, -0.0003171700000000 ] - [ -0.0000676800000000, -0.0007179400000000, -0.0003513500000000 ] - [ 0.0002912600000000, -0.0003843600000000, 0.0002867900000000 ] - [ 0.0000615900000000, 0.0003130100000000, -0.0001375000000000 ] - [ -0.0007377900000000, -0.0005289500000000, 0.0017394300000000 ] - [ 0.0000797300000000, -0.0002739800000000, 0.0003581200000000 ] - [ -0.0007016800000000, -0.0001238100000000, -0.0003446500000000 ] - [ 0.0000166400000000, 0.0003570900000000, -0.0001982900000000 ] - [ -0.0043614800000000, -0.0040292200000000, -0.0021739700000000 ] - [ 0.0001070800000000, -0.0003342300000000, 0.0001409500000000 ] - [ 0.0003778400000000, -0.0000597600000000, -0.0005523700000000 ] - [ 0.0270898800000000, 0.0451293500000000, 0.0019332100000000 ] - [ -0.0000843500000000, 0.0002636600000000, -0.0003260100000000 ] - [ -0.0077355500000000, -0.0055688500000000, 0.0113441800000000 ] - [ 0.0000589200000000, -0.0001569300000000, 0.0003122600000000 ] - [ 0.0001848400000000, -0.0003486900000000, -0.0005881300000000 ] - [ -0.0000476500000000, -0.0002812000000000, 0.0002162800000000 ] - [ 0.0002190700000000, -0.0000194700000000, 0.0004021700000000 ] - [ -0.0000207900000000, -0.0000029600000000, -0.0004995300000000 ] - [ -0.0003112800000000, 0.0004134800000000, 0.0000719900000000 ] - [ 0.0000349000000000, 0.0002903100000000, -0.0000778000000000 ] - [ 0.0003798500000000, -0.0003497800000000, -0.0000374600000000 ] - [ -0.0011367600000000, -0.0002152000000000, 0.0003003400000000 ] - [ 0.0005643800000000, 0.0003613600000000, 0.0004764400000000 ] - [ -0.0001429900000000, 0.0004592200000000, -0.0002315100000000 ] - [ -0.0004100500000000, 0.0025460700000000, -0.0001680000000000 ] - [ 0.0001907800000000, -0.0005030500000000, 0.0002631600000000 ] - [ -0.0000681400000000, 0.0003238600000000, -0.0001139000000000 ] - [ 0.0001326900000000, 0.0002885300000000, 0.0002520700000000 ] - [ 0.0000443800000000, -0.0002642200000000, 0.0001643000000000 ] - [ -0.0006148300000000, -0.0001780200000000, -0.0005113100000000 ] - [ -0.0000923400000000, 0.0004263800000000, -0.0001482300000000 ] - [ -0.0001393400000000, 0.0003184800000000, 0.0002007700000000 ] - [ 0.0001432600000000, -0.0003745500000000, 0.0001951700000000 ] - [ 0.0000059000000000, -0.0004217400000000, -0.0000018400000000 ] - [ 0.0001661000000000, 0.0001578300000000, 0.0002421100000000 ] - [ -0.0001779200000000, 0.0001434400000000, -0.0002390100000000 ] - [ -0.0001962600000000, -0.0000749500000000, -0.0002908600000000 ] - [ 0.0001548000000000, -0.0001659800000000, 0.0002365100000000 ] - [ 0.0001897400000000, 0.0001913100000000, -0.0009235500000000 ] - [ -0.0002123800000000, -0.0001451500000000, 0.0005053200000000 ] - [ -0.0000160800000000, 0.0002402000000000, 0.0004018700000000 ] - [ 0.0004027000000000, 0.0004162300000000, -0.0001953500000000 ]- atom: 57 displacement: [ -0.0002562758177658, 0.0000000000000000, 0.0099967155958959 ] forces: - [ -0.0003446300000000, 0.0004884300000000, -0.0001989400000000 ] - [ -0.0000251100000000, 0.0004364400000000, 0.0007112800000000 ] - [ 0.0001995900000000, -0.0005494200000000, 0.0002139400000000 ] - [ -0.0004177700000000, -0.0005098700000000, -0.0005365800000000 ] - [ -0.0002934300000000, -0.0001910800000000, 0.0008018500000000 ] - [ 0.0002236700000000, 0.0006728300000000, -0.0006768500000000 ] - [ 0.0003492000000000, 0.0000724500000000, -0.0008165800000000 ] - [ 0.0000274300000000, 0.0002406000000000, 0.0008035300000000 ] - [ 0.0002027500000000, 0.0001546400000000, -0.0003213100000000 ] - [ -0.0006683900000000, 0.0002349200000000, 0.0005177000000000 ] - [ 0.0000575300000000, -0.0000575200000000, 0.0002735800000000 ] - [ 0.0016145200000000, 0.0000313900000000, -0.0008675100000000 ] - [ -0.0005871600000000, 0.0006225900000000, -0.0002556700000000 ] - [ -0.0011205200000000, -0.0005412600000000, -0.0018247900000000 ] - [ 0.0003313100000000, -0.0005984800000000, 0.0001771400000000 ] - [ 0.0083584300000000, 0.0068597700000000, 0.0210795200000000 ] - [ -0.0002937300000000, -0.0001140900000000, 0.0008739500000000 ] - [ -0.0000367500000000, -0.0008119300000000, -0.0007722300000000 ] - [ 0.0000826300000000, -0.0001201500000000, -0.0008755300000000 ] - [ 0.0004034400000000, 0.0010511400000000, -0.0000835900000000 ] - [ 0.0001418500000000, 0.0001835800000000, -0.0002714000000000 ] - [ 0.0010155100000000, -0.0004685400000000, -0.0004323400000000 ] - [ 0.0003075400000000, -0.0000716500000000, 0.0005994600000000 ] - [ 0.0001427200000000, 0.0000679500000000, -0.0003386200000000 ] - [ 0.0000670000000000, -0.0005450300000000, 0.0000350000000000 ] - [ 0.0003526400000000, 0.0009522300000000, -0.0001640700000000 ] - [ -0.0001082900000000, -0.0006595100000000, 0.0003448300000000 ] - [ 0.0008160200000000, 0.0047793300000000, 0.0028478800000000 ] - [ -0.0018494600000000, 0.0007887400000000, 0.0002375500000000 ] - [ 0.0004411800000000, -0.0002519300000000, 0.0004790700000000 ] - [ 0.0016423100000000, -0.0020327300000000, 0.0013245400000000 ] - [ -0.0002974500000000, 0.0002923200000000, -0.0004701900000000 ] - [ -0.0000801400000000, -0.0005689700000000, -0.0000328400000000 ] - [ -0.0001585200000000, 0.0006211100000000, -0.0000298500000000 ] - [ -0.0000649600000000, -0.0004893000000000, 0.0000215100000000 ] - [ -0.0001584500000000, 0.0004675100000000, 0.0000123200000000 ] - [ -0.0004077400000000, -0.0002330800000000, -0.0003875700000000 ] - [ 0.0002525600000000, -0.0002519800000000, 0.0003017800000000 ] - [ 0.0002028600000000, 0.0002671200000000, 0.0003391800000000 ] - [ -0.0003649400000000, 0.0002361700000000, -0.0002833900000000 ] - [ -0.0002794900000000, 0.0003695700000000, -0.0000048300000000 ] - [ 0.0002370900000000, 0.0003542100000000, -0.0001015100000000 ] - [ 0.0002667500000000, -0.0003778400000000, -0.0000174900000000 ] - [ -0.0000608600000000, -0.0002675000000000, -0.0000737900000000 ] - [ 0.0001088300000000, 0.0004261900000000, 0.0005277500000000 ] - [ -0.0001810000000000, 0.0005077200000000, -0.0002442100000000 ] - [ -0.0000703800000000, -0.0004373300000000, -0.0004177500000000 ] - [ 0.0002751300000000, -0.0004596000000000, 0.0003021400000000 ] - [ 0.0002280900000000, 0.0004088400000000, -0.0000051000000000 ] - [ -0.0025845400000000, -0.0013134600000000, 0.0012356600000000 ] - [ 0.0000074400000000, -0.0003175600000000, 0.0001827900000000 ] - [ 0.0003467600000000, 0.0002518300000000, -0.0011033800000000 ] - [ 0.0000023600000000, 0.0003469700000000, -0.0002003700000000 ] - [ 0.0008889200000000, 0.0029695400000000, 0.0004881600000000 ] - [ -0.0001576100000000, -0.0003244500000000, 0.0002002300000000 ] - [ 0.0004084700000000, -0.0003852100000000, -0.0004819400000000 ] - [ 0.0071370300000000, -0.0011639000000000, -0.0863299600000000 ] - [ -0.0002846800000000, 0.0000836100000000, -0.0004029000000000 ] - [ -0.0190620200000000, -0.0115306900000000, 0.0646918700000000 ] - [ 0.0001303200000000, -0.0001058200000000, 0.0005097300000000 ] - [ 0.0000446000000000, -0.0002830900000000, -0.0006383600000000 ] - [ 0.0003336300000000, -0.0001886700000000, 0.0002878200000000 ] - [ -0.0006928800000000, 0.0006221800000000, 0.0001959100000000 ] - [ 0.0000221600000000, 0.0002850800000000, -0.0003078700000000 ] - [ -0.0004603400000000, 0.0004942400000000, 0.0002564800000000 ] - [ 0.0005480300000000, 0.0006346900000000, -0.0007299600000000 ] - [ 0.0002170300000000, -0.0003980100000000, 0.0000356300000000 ] - [ 0.0016718000000000, 0.0007504500000000, 0.0008599800000000 ] - [ 0.0003149700000000, 0.0006549700000000, 0.0003354300000000 ] - [ -0.0002107900000000, 0.0005306600000000, -0.0005122000000000 ] - [ 0.0004450700000000, -0.0017083600000000, -0.0010993000000000 ] - [ 0.0001380200000000, -0.0005235600000000, 0.0002332500000000 ] - [ -0.0000563800000000, 0.0002973100000000, -0.0003069600000000 ] - [ 0.0000578400000000, 0.0002038000000000, 0.0002262200000000 ] - [ 0.0000943100000000, -0.0002674500000000, 0.0002397100000000 ] - [ 0.0000154500000000, -0.0001774500000000, -0.0000622000000000 ] - [ -0.0000704300000000, 0.0003706500000000, -0.0001792800000000 ] - [ 0.0002591300000000, 0.0003816800000000, 0.0000598200000000 ] - [ 0.0001009500000000, -0.0003026200000000, 0.0002960800000000 ] - [ -0.0000961800000000, -0.0004731600000000, -0.0000083200000000 ] - [ 0.0001954800000000, 0.0001703900000000, 0.0004507200000000 ] - [ -0.0001731100000000, 0.0001762800000000, -0.0001944100000000 ] - [ -0.0000475900000000, -0.0001205800000000, -0.0004227500000000 ] - [ 0.0001957500000000, -0.0001600400000000, 0.0002398700000000 ] - [ -0.0000111500000000, 0.0000033400000000, -0.0005230300000000 ] - [ -0.0000949400000000, -0.0002218200000000, 0.0003611600000000 ] - [ 0.0000049900000000, 0.0000895000000000, 0.0005819300000000 ] - [ -0.0000573400000000, -0.0003302900000000, -0.0007861800000000 ]- atom: 57 displacement: [ 0.0002562758177658, 0.0000000000000000, -0.0099967155958959 ] forces: - [ -0.0003299000000000, 0.0004985600000000, -0.0002338800000000 ] - [ 0.0006795000000000, 0.0005660900000000, -0.0002201400000000 ] - [ 0.0004715200000000, -0.0004111800000000, 0.0002490300000000 ] - [ -0.0002311800000000, -0.0005084800000000, 0.0000654800000000 ] - [ -0.0002673700000000, 0.0000102800000000, 0.0006961300000000 ] - [ 0.0003613700000000, -0.0008529600000000, -0.0008147700000000 ] - [ 0.0002593400000000, 0.0001355500000000, -0.0007056400000000 ] - [ -0.0006213700000000, -0.0000397700000000, 0.0007490400000000 ] - [ -0.0001822500000000, 0.0000375900000000, -0.0004027300000000 ] - [ 0.0006403200000000, -0.0000317200000000, 0.0001749900000000 ] - [ -0.0000757600000000, -0.0001765400000000, 0.0004568200000000 ] - [ -0.0016042700000000, -0.0002268500000000, 0.0001879200000000 ] - [ -0.0001053200000000, 0.0003754200000000, -0.0002198200000000 ] - [ 0.0017933600000000, 0.0014821700000000, 0.0023333600000000 ] - [ 0.0003335900000000, -0.0003720000000000, 0.0003243200000000 ] - [ -0.0091036100000000, -0.0078668000000000, -0.0216078400000000 ] - [ -0.0003005500000000, -0.0000961200000000, 0.0006549700000000 ] - [ 0.0006588100000000, 0.0005878900000000, -0.0007489900000000 ] - [ 0.0005378500000000, 0.0003229900000000, -0.0006235100000000 ] - [ -0.0010122900000000, -0.0008675000000000, 0.0015622400000000 ] - [ -0.0001064000000000, -0.0000018600000000, -0.0004148400000000 ] - [ -0.0010443800000000, 0.0006772300000000, 0.0011741400000000 ] - [ -0.0003407800000000, -0.0001337000000000, 0.0001052700000000 ] - [ -0.0000794800000000, -0.0002623200000000, -0.0003838500000000 ] - [ -0.0000695200000000, -0.0006280400000000, -0.0000356000000000 ] - [ -0.0003579200000000, 0.0002231700000000, 0.0001621200000000 ] - [ 0.0001150400000000, -0.0003045500000000, -0.0003512800000000 ] - [ -0.0007999900000000, -0.0037177000000000, -0.0028040400000000 ] - [ 0.0012284500000000, -0.0012721700000000, -0.0008937000000000 ] - [ 0.0001665100000000, -0.0002498700000000, 0.0001774200000000 ] - [ -0.0010392600000000, 0.0025414900000000, -0.0006574700000000 ] - [ -0.0003120800000000, 0.0002050200000000, -0.0001957100000000 ] - [ 0.0000795000000000, -0.0005995600000000, 0.0000296400000000 ] - [ 0.0001551700000000, 0.0005500100000000, 0.0000280700000000 ] - [ 0.0000635900000000, -0.0004844400000000, -0.0000235400000000 ] - [ 0.0001588200000000, 0.0005039900000000, -0.0000134400000000 ] - [ -0.0002007500000000, -0.0002644800000000, -0.0002766500000000 ] - [ 0.0003594900000000, -0.0002456800000000, 0.0003600500000000 ] - [ 0.0004085600000000, 0.0002342600000000, 0.0003200500000000 ] - [ -0.0002461400000000, 0.0002636100000000, -0.0003850100000000 ] - [ -0.0002563000000000, 0.0003797200000000, 0.0000292000000000 ] - [ 0.0003138000000000, 0.0004228900000000, 0.0000722800000000 ] - [ 0.0002738200000000, -0.0003871000000000, -0.0000004300000000 ] - [ -0.0004676000000000, -0.0005255600000000, 0.0000840200000000 ] - [ 0.0002532500000000, 0.0005937300000000, 0.0001242200000000 ] - [ -0.0001854600000000, 0.0005556400000000, -0.0004037300000000 ] - [ -0.0002915900000000, -0.0005999800000000, -0.0002202600000000 ] - [ 0.0001012700000000, -0.0005958900000000, 0.0003365700000000 ] - [ -0.0003727100000000, 0.0001461100000000, -0.0004262600000000 ] - [ 0.0027082500000000, 0.0018455800000000, -0.0007559100000000 ] - [ 0.0001200200000000, -0.0002285700000000, 0.0002607200000000 ] - [ -0.0004445700000000, -0.0008168300000000, 0.0006606200000000 ] - [ -0.0000110100000000, 0.0003309900000000, -0.0002079300000000 ] - [ -0.0008765900000000, -0.0023159600000000, -0.0000445000000000 ] - [ 0.0001548900000000, -0.0003280800000000, 0.0001953000000000 ] - [ -0.0004399200000000, -0.0002886400000000, 0.0000806700000000 ] - [ -0.0079419900000000, 0.0006570800000000, 0.0888150500000000 ] - [ -0.0000698500000000, 0.0002531100000000, -0.0000861600000000 ] - [ 0.0199384700000000, 0.0119730700000000, -0.0672214800000000 ] - [ 0.0002417200000000, -0.0002405400000000, -0.0000145300000000 ] - [ 0.0000215000000000, -0.0000408400000000, -0.0003115200000000 ] - [ -0.0004050200000000, -0.0001844900000000, 0.0006088100000000 ] - [ 0.0006088800000000, -0.0002717000000000, 0.0007368800000000 ] - [ 0.0000633200000000, 0.0000638900000000, -0.0006326900000000 ] - [ -0.0000992800000000, 0.0002881700000000, -0.0002503400000000 ] - [ -0.0000061700000000, 0.0001334400000000, 0.0006771500000000 ] - [ 0.0003473200000000, -0.0003793400000000, -0.0000630600000000 ] - [ -0.0022500800000000, -0.0014998500000000, -0.0008706100000000 ] - [ 0.0000821100000000, 0.0004020100000000, 0.0003003600000000 ] - [ -0.0001785800000000, 0.0005131700000000, -0.0001269600000000 ] - [ -0.0008139000000000, 0.0006649600000000, 0.0004472800000000 ] - [ 0.0002305100000000, -0.0005144600000000, 0.0004266100000000 ] - [ -0.0000686300000000, 0.0002589700000000, -0.0001322500000000 ] - [ 0.0000875800000000, 0.0003458300000000, 0.0002017700000000 ] - [ 0.0000319800000000, -0.0002752000000000, 0.0001685400000000 ] - [ -0.0001697300000000, -0.0003685900000000, -0.0003688000000000 ] - [ 0.0000452000000000, 0.0003008800000000, -0.0002365100000000 ] - [ -0.0002707900000000, 0.0002931000000000, 0.0003402000000000 ] - [ -0.0000914400000000, -0.0003688400000000, 0.0001352200000000 ] - [ 0.0000950500000000, -0.0001956200000000, -0.0004071300000000 ] - [ 0.0001603300000000, 0.0001674500000000, 0.0000353800000000 ] - [ -0.0002032100000000, 0.0001695000000000, -0.0002909800000000 ] - [ -0.0003034500000000, -0.0002149900000000, -0.0000619000000000 ] - [ 0.0001395100000000, -0.0001673900000000, 0.0002269100000000 ] - [ 0.0000759100000000, -0.0003667900000000, -0.0003925300000000 ] - [ 0.0000072400000000, -0.0001360900000000, 0.0005828200000000 ] - [ -0.0000593500000000, 0.0002646000000000, 0.0003246700000000 ] - [ 0.0001351100000000, 0.0006864100000000, -0.0001434000000000 ]- atom: 61 displacement: [ 0.0099999862199687, 0.0000000000000000, 0.0000166012179150 ] forces: - [ -0.0005919000000000, 0.0012298900000000, -0.0004751100000000 ] - [ 0.0004135500000000, 0.0005515100000000, 0.0000624100000000 ] - [ 0.0003246700000000, -0.0004518300000000, 0.0001889400000000 ] - [ -0.0007291300000000, -0.0007769300000000, 0.0004888100000000 ] - [ 0.0254548600000000, -0.0026467800000000, -0.0094462000000000 ] - [ 0.0001054000000000, 0.0000877800000000, -0.0005370100000000 ] - [ 0.0001958600000000, 0.0000931800000000, -0.0008044500000000 ] - [ -0.0004538200000000, -0.0007942000000000, 0.0020471800000000 ] - [ 0.0000313200000000, -0.0001922700000000, -0.0005961400000000 ] - [ 0.0229179600000000, -0.0103287200000000, 0.0006536300000000 ] - [ -0.0007672000000000, 0.0000786200000000, -0.0009542600000000 ] - [ -0.0002489600000000, -0.0003891300000000, -0.0000759500000000 ] - [ -0.0004673800000000, 0.0005419200000000, -0.0002143100000000 ] - [ 0.0000777800000000, -0.0008325000000000, 0.0014647600000000 ] - [ -0.0005160600000000, 0.0006026700000000, -0.0006878900000000 ] - [ -0.0004084700000000, -0.0002021300000000, -0.0001863600000000 ] - [ -0.0005023400000000, -0.0001008100000000, 0.0007149800000000 ] - [ 0.0000884200000000, -0.0003352800000000, -0.0007676800000000 ] - [ 0.0009173000000000, -0.0002437400000000, -0.0007547600000000 ] - [ -0.0002318800000000, 0.0000872600000000, 0.0007367500000000 ] - [ -0.0000874400000000, 0.0005926300000000, -0.0008895600000000 ] - [ -0.0000685200000000, 0.0000333800000000, 0.0003230300000000 ] - [ 0.0000499200000000, -0.0000960900000000, 0.0003186600000000 ] - [ 0.0000667200000000, -0.0000168900000000, -0.0006860300000000 ] - [ 0.0057833800000000, 0.0041057800000000, 0.0016513500000000 ] - [ 0.0001864000000000, 0.0005202800000000, 0.0002179300000000 ] - [ 0.0047924800000000, -0.0039919400000000, 0.0010904200000000 ] - [ 0.0002179900000000, 0.0005388300000000, -0.0000631600000000 ] - [ 0.0000531900000000, -0.0015522700000000, -0.0022016400000000 ] - [ 0.0004198800000000, -0.0002352100000000, 0.0001598100000000 ] - [ 0.0003350000000000, 0.0001763000000000, 0.0005007400000000 ] - [ -0.0001278600000000, 0.0000652700000000, -0.0006124700000000 ] - [ -0.0001131000000000, -0.0005538600000000, -0.0000478000000000 ] - [ -0.0001553500000000, 0.0005880800000000, -0.0000320500000000 ] - [ -0.0000488500000000, -0.0005652000000000, 0.0000303100000000 ] - [ -0.0001558700000000, 0.0005030300000000, 0.0000166200000000 ] - [ -0.0003904800000000, -0.0002359600000000, -0.0003399700000000 ] - [ 0.0002463500000000, -0.0002973000000000, 0.0002666300000000 ] - [ 0.0000573900000000, 0.0002532200000000, 0.0003255000000000 ] - [ -0.0003885300000000, 0.0002480800000000, -0.0003560000000000 ] - [ -0.0002580000000000, 0.0003359400000000, -0.0003027100000000 ] - [ 0.0004550400000000, 0.0004020300000000, -0.0000615700000000 ] - [ 0.0002453400000000, -0.0003783200000000, 0.0000010500000000 ] - [ 0.0015897500000000, -0.0026827800000000, 0.0010517700000000 ] - [ 0.0001717600000000, 0.0004799400000000, 0.0003322100000000 ] - [ 0.0005942100000000, 0.0011229900000000, -0.0023744600000000 ] - [ 0.0003241300000000, -0.0010658000000000, 0.0023099100000000 ] - [ 0.0001990900000000, -0.0005093500000000, 0.0003437700000000 ] - [ -0.0001512900000000, 0.0001513500000000, -0.0004660800000000 ] - [ 0.0000220600000000, 0.0002889300000000, 0.0001866800000000 ] - [ 0.0003539000000000, -0.0001943600000000, 0.0003746500000000 ] - [ -0.0008582600000000, -0.0015079500000000, -0.0010733700000000 ] - [ -0.0031274400000000, -0.0005969300000000, -0.0003345100000000 ] - [ 0.0004981400000000, 0.0003082300000000, -0.0000686100000000 ] - [ 0.0001149300000000, -0.0003497500000000, 0.0003626300000000 ] - [ -0.0022946700000000, 0.0005534200000000, -0.0002084400000000 ] - [ 0.0001109300000000, 0.0000126900000000, 0.0002465500000000 ] - [ -0.0005806500000000, 0.0001525400000000, 0.0001204500000000 ] - [ -0.0007513200000000, -0.0004359100000000, -0.0009051800000000 ] - [ 0.0001761800000000, -0.0002327400000000, 0.0002235000000000 ] - [ -0.0554124300000000, 0.0151239700000000, 0.0105917500000000 ] - [ 0.0006898800000000, -0.0000883800000000, 0.0006116900000000 ] - [ -0.0002188100000000, 0.0001933500000000, 0.0005089400000000 ] - [ -0.0003598900000000, 0.0002667800000000, -0.0002177200000000 ] - [ -0.0002923200000000, 0.0004029200000000, 0.0000573100000000 ] - [ 0.0002063900000000, 0.0002332600000000, 0.0002095000000000 ] - [ -0.0010203600000000, 0.0011646900000000, 0.0005824300000000 ] - [ -0.0001550200000000, -0.0003239000000000, -0.0000188600000000 ] - [ 0.0001597000000000, 0.0002870900000000, 0.0003130100000000 ] - [ -0.0002096700000000, 0.0005093900000000, -0.0003150000000000 ] - [ -0.0001424400000000, -0.0005934100000000, -0.0003259000000000 ] - [ 0.0000419900000000, -0.0003001200000000, 0.0002287400000000 ] - [ -0.0000093500000000, 0.0002852400000000, -0.0001675100000000 ] - [ 0.0000214900000000, 0.0003508900000000, 0.0003336800000000 ] - [ 0.0034498600000000, 0.0007161500000000, -0.0027363000000000 ] - [ -0.0000015600000000, -0.0002934200000000, -0.0001557700000000 ] - [ 0.0000846500000000, 0.0003555100000000, -0.0001600200000000 ] - [ 0.0000299400000000, 0.0002945400000000, 0.0000937100000000 ] - [ -0.0000440900000000, -0.0002974200000000, 0.0002276400000000 ] - [ 0.0001000800000000, -0.0003468600000000, -0.0002159500000000 ] - [ 0.0000405900000000, 0.0000124400000000, 0.0001973300000000 ] - [ -0.0000855700000000, -0.0000006600000000, -0.0002905700000000 ] - [ -0.0000581900000000, -0.0001768300000000, -0.0002078500000000 ] - [ -0.0000023600000000, 0.0002060200000000, 0.0001303900000000 ] - [ 0.0000686900000000, -0.0001778000000000, -0.0004622300000000 ] - [ 0.0000837000000000, -0.0001405600000000, 0.0008389100000000 ] - [ -0.0001581700000000, 0.0002502500000000, 0.0005471700000000 ] - [ 0.0000767300000000, 0.0001739900000000, -0.0004864700000000 ]- atom: 61 displacement: [ -0.0099999862199687, 0.0000000000000000, -0.0000166012179150 ] forces: - [ 0.0000334600000000, -0.0003061900000000, 0.0000513100000000 ] - [ 0.0001557300000000, 0.0003673800000000, 0.0003888700000000 ] - [ 0.0002547100000000, -0.0004553900000000, 0.0002478400000000 ] - [ 0.0001536100000000, -0.0001447100000000, -0.0009408900000000 ] - [ -0.0259997800000000, 0.0024126400000000, 0.0107680600000000 ] - [ 0.0005288000000000, -0.0003460200000000, -0.0010598100000000 ] - [ 0.0004545200000000, 0.0001747800000000, -0.0008112000000000 ] - [ -0.0002127500000000, 0.0010378400000000, -0.0004183500000000 ] - [ 0.0000366700000000, 0.0004821500000000, -0.0000761200000000 ] - [ -0.0229552200000000, 0.0103980900000000, 0.0000679300000000 ] - [ 0.0006778100000000, -0.0003732100000000, 0.0016280900000000 ] - [ 0.0003178400000000, 0.0000997500000000, -0.0005870700000000 ] - [ -0.0001126700000000, 0.0003723300000000, -0.0002265000000000 ] - [ 0.0004750200000000, 0.0017303300000000, -0.0009938300000000 ] - [ 0.0010794000000000, -0.0014863200000000, 0.0011116900000000 ] - [ -0.0001735200000000, -0.0007109500000000, -0.0002447700000000 ] - [ -0.0001440600000000, -0.0001676800000000, 0.0009053300000000 ] - [ 0.0005751800000000, 0.0000898900000000, -0.0008463600000000 ] - [ -0.0002569600000000, 0.0005023800000000, -0.0008508500000000 ] - [ -0.0004136800000000, 0.0001661300000000, 0.0008511000000000 ] - [ 0.0001680400000000, -0.0003054600000000, 0.0002210900000000 ] - [ -0.0000115200000000, 0.0002584000000000, 0.0003540400000000 ] - [ -0.0001299900000000, -0.0001949700000000, 0.0003471900000000 ] - [ 0.0000156600000000, -0.0002774800000000, 0.0000166300000000 ] - [ -0.0059572300000000, -0.0054605800000000, -0.0017065900000000 ] - [ -0.0001901300000000, 0.0006592000000000, -0.0002182700000000 ] - [ -0.0049296200000000, 0.0031653700000000, -0.0011453000000000 ] - [ -0.0002209800000000, 0.0004340200000000, 0.0000597800000000 ] - [ -0.0006548200000000, 0.0010355500000000, 0.0015366100000000 ] - [ 0.0001960200000000, -0.0002763200000000, 0.0004858100000000 ] - [ 0.0002797700000000, 0.0003338600000000, 0.0001478900000000 ] - [ -0.0004903200000000, 0.0004429100000000, -0.0000373800000000 ] - [ 0.0001153900000000, -0.0006262000000000, 0.0000466000000000 ] - [ 0.0001550000000000, 0.0005943600000000, 0.0000322700000000 ] - [ 0.0000528700000000, -0.0004096900000000, -0.0000315300000000 ] - [ 0.0001577600000000, 0.0004691100000000, -0.0000167400000000 ] - [ -0.0002239700000000, -0.0002734700000000, -0.0003076700000000 ] - [ 0.0003737300000000, -0.0002132100000000, 0.0003796900000000 ] - [ 0.0005614600000000, 0.0002589500000000, 0.0003200700000000 ] - [ -0.0002277700000000, 0.0002623800000000, -0.0002941800000000 ] - [ -0.0002569200000000, 0.0003971500000000, 0.0003036600000000 ] - [ 0.0000650200000000, 0.0003438300000000, 0.0000617300000000 ] - [ 0.0002701700000000, -0.0003649500000000, -0.0000017000000000 ] - [ -0.0020225900000000, 0.0018739600000000, -0.0010527200000000 ] - [ 0.0001997000000000, 0.0005259300000000, 0.0003105500000000 ] - [ -0.0009728000000000, -0.0000974800000000, 0.0017035400000000 ] - [ -0.0007050000000000, 0.0000513400000000, -0.0029261500000000 ] - [ 0.0001786700000000, -0.0005091100000000, 0.0002902500000000 ] - [ -0.0000273100000000, 0.0004045600000000, -0.0000180200000000 ] - [ 0.0001517200000000, 0.0002663200000000, 0.0002982700000000 ] - [ -0.0001870300000000, -0.0003618300000000, 0.0001158300000000 ] - [ 0.0006921200000000, 0.0009539000000000, 0.0005874600000000 ] - [ 0.0030354900000000, 0.0012100100000000, -0.0001080600000000 ] - [ -0.0004230100000000, 0.0003194300000000, 0.0005035100000000 ] - [ -0.0000473900000000, -0.0002683300000000, 0.0000477200000000 ] - [ 0.0021907200000000, -0.0012134600000000, -0.0001754600000000 ] - [ 0.0002580900000000, 0.0003141300000000, 0.0002413700000000 ] - [ 0.0002158100000000, 0.0001720600000000, -0.0006081900000000 ] - [ 0.0003807600000000, 0.0001066200000000, 0.0004188700000000 ] - [ 0.0001993400000000, -0.0000991700000000, 0.0002687000000000 ] - [ 0.0556111400000000, -0.0152387900000000, -0.0111392100000000 ] - [ -0.0007527700000000, -0.0002786600000000, 0.0002923300000000 ] - [ 0.0001472100000000, 0.0001625500000000, 0.0004208500000000 ] - [ 0.0004338500000000, 0.0000958100000000, -0.0007086000000000 ] - [ -0.0002304600000000, 0.0003467800000000, -0.0000674200000000 ] - [ 0.0003114800000000, 0.0005092600000000, -0.0002121700000000 ] - [ 0.0015491400000000, -0.0018922600000000, -0.0005750100000000 ] - [ -0.0003643600000000, -0.0004055000000000, 0.0000243500000000 ] - [ 0.0002256200000000, 0.0007231800000000, 0.0003195300000000 ] - [ -0.0001745000000000, 0.0005070000000000, -0.0003197600000000 ] - [ -0.0002335200000000, -0.0004205600000000, -0.0003144800000000 ] - [ 0.0003329200000000, -0.0007092800000000, 0.0004203700000000 ] - [ -0.0001594200000000, 0.0002756400000000, -0.0003234800000000 ] - [ 0.0001600100000000, 0.0002061000000000, 0.0001543500000000 ] - [ -0.0031879900000000, -0.0012235600000000, 0.0031571600000000 ] - [ -0.0001830000000000, -0.0002612700000000, -0.0003307800000000 ] - [ -0.0001632700000000, 0.0002705100000000, -0.0002603500000000 ] - [ 0.0000285600000000, 0.0003365400000000, 0.0003182600000000 ] - [ 0.0001089600000000, -0.0003302900000000, 0.0002047000000000 ] - [ -0.0001690800000000, -0.0002768600000000, -0.0002049500000000 ] - [ 0.0003280600000000, 0.0003145300000000, 0.0002967500000000 ] - [ -0.0002898100000000, 0.0003279000000000, -0.0002030200000000 ] - [ -0.0003119000000000, -0.0001515500000000, -0.0002853300000000 ] - [ 0.0003553700000000, -0.0005227600000000, 0.0003513300000000 ] - [ -0.0000090500000000, -0.0001812600000000, -0.0004571000000000 ] - [ -0.0001603800000000, -0.0002207600000000, 0.0001004000000000 ] - [ 0.0001017600000000, 0.0001095800000000, 0.0003664800000000 ] - [ -0.0000136100000000, 0.0001831400000000, -0.0004408500000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008675600000000, 0.0008070000000000, -0.0009932800000000 ] - [ 0.0001557100000000, 0.0003482600000000, 0.0003082300000000 ] - [ 0.0002767700000000, -0.0004326600000000, 0.0001992900000000 ] - [ -0.0008546800000000, -0.0001094200000000, -0.0017943800000000 ] - [ 0.0001917300000000, 0.0178712400000000, -0.0089835700000000 ] - [ 0.0004145900000000, -0.0002187800000000, -0.0008768800000000 ] - [ 0.0003129300000000, 0.0001186300000000, -0.0008533100000000 ] - [ -0.0009516800000000, 0.0005010400000000, -0.0002199800000000 ] - [ -0.0000119300000000, 0.0002685800000000, -0.0002625200000000 ] - [ -0.0125660000000000, 0.0302915200000000, -0.0079812600000000 ] - [ 0.0003309800000000, 0.0000691700000000, -0.0009276300000000 ] - [ 0.0001861700000000, -0.0002064300000000, -0.0003588400000000 ] - [ -0.0001946900000000, 0.0004851100000000, -0.0002628000000000 ] - [ -0.0001653400000000, 0.0014590200000000, -0.0000221200000000 ] - [ 0.0004645300000000, -0.0011382200000000, -0.0004081600000000 ] - [ -0.0002001400000000, -0.0003650900000000, -0.0003026600000000 ] - [ -0.0004545900000000, -0.0001740200000000, 0.0007925600000000 ] - [ 0.0001832600000000, 0.0013896800000000, -0.0008511000000000 ] - [ -0.0000112500000000, 0.0001243300000000, -0.0005995700000000 ] - [ -0.0003703000000000, 0.0001801400000000, 0.0008763000000000 ] - [ 0.0007215900000000, -0.0005722400000000, -0.0006333900000000 ] - [ 0.0000258600000000, 0.0001948000000000, 0.0003233100000000 ] - [ -0.0000258500000000, -0.0001934100000000, 0.0003470600000000 ] - [ -0.0003181500000000, -0.0001938200000000, -0.0004638500000000 ] - [ 0.0046623900000000, 0.0036422100000000, 0.0010957100000000 ] - [ 0.0000853100000000, 0.0006856100000000, 0.0000810300000000 ] - [ -0.0043513100000000, 0.0026468600000000, -0.0013163800000000 ] - [ -0.0000735000000000, 0.0004597000000000, 0.0000771400000000 ] - [ -0.0016437300000000, 0.0026136100000000, 0.0044954000000000 ] - [ 0.0004435900000000, -0.0002939300000000, 0.0003946700000000 ] - [ 0.0002392000000000, 0.0002337500000000, 0.0003622000000000 ] - [ -0.0001946900000000, 0.0001555800000000, -0.0005126900000000 ] - [ -0.0000655600000000, -0.0006877100000000, -0.0000840300000000 ] - [ 0.0000634700000000, 0.0005546500000000, 0.0000867700000000 ] - [ 0.0000421400000000, -0.0004540300000000, -0.0000787300000000 ] - [ -0.0000069200000000, 0.0004899400000000, 0.0000827500000000 ] - [ -0.0002211400000000, -0.0002743600000000, -0.0003186000000000 ] - [ 0.0002397900000000, -0.0002149900000000, 0.0004057700000000 ] - [ 0.0002100800000000, 0.0003414900000000, 0.0000575200000000 ] - [ -0.0003644300000000, 0.0002470800000000, -0.0003014900000000 ] - [ 0.0000814500000000, 0.0001987200000000, -0.0002708300000000 ] - [ 0.0002400300000000, 0.0003891200000000, 0.0000534300000000 ] - [ 0.0002374600000000, -0.0003610100000000, -0.0000243000000000 ] - [ -0.0015091300000000, 0.0006228700000000, -0.0006141500000000 ] - [ 0.0001826100000000, 0.0004898100000000, 0.0003162300000000 ] - [ -0.0012009400000000, -0.0006373600000000, 0.0009516800000000 ] - [ -0.0018150200000000, -0.0024161100000000, -0.0028496100000000 ] - [ 0.0001810400000000, -0.0004935400000000, 0.0003137700000000 ] - [ -0.0001459500000000, 0.0002317200000000, -0.0003524700000000 ] - [ 0.0001100000000000, 0.0002936300000000, 0.0002689300000000 ] - [ 0.0003390100000000, -0.0002410400000000, 0.0003828600000000 ] - [ -0.0018977400000000, 0.0053086100000000, -0.0012965600000000 ] - [ -0.0003357800000000, -0.0002366400000000, -0.0024160800000000 ] - [ -0.0001402800000000, 0.0002212200000000, 0.0002616600000000 ] - [ 0.0001626700000000, -0.0003006700000000, 0.0002607900000000 ] - [ 0.0009195900000000, 0.0011680400000000, -0.0024622700000000 ] - [ 0.0003005500000000, 0.0003509800000000, 0.0001332200000000 ] - [ -0.0001698000000000, 0.0002556600000000, -0.0002516900000000 ] - [ -0.0001939000000000, 0.0000301400000000, 0.0001957600000000 ] - [ 0.0001812300000000, 0.0000176100000000, 0.0001396800000000 ] - [ 0.0149414700000000, -0.0658384900000000, 0.0304308300000000 ] - [ -0.0001216700000000, -0.0004619900000000, 0.0004692200000000 ] - [ -0.0000080800000000, 0.0001975300000000, 0.0004047900000000 ] - [ -0.0000643000000000, -0.0009733500000000, -0.0011394000000000 ] - [ -0.0002389800000000, 0.0003560100000000, -0.0000139400000000 ] - [ 0.0003889800000000, 0.0004075300000000, -0.0003023200000000 ] - [ 0.0013759100000000, 0.0009660300000000, -0.0029942100000000 ] - [ -0.0003915400000000, -0.0004074800000000, 0.0000386900000000 ] - [ 0.0002250100000000, 0.0007814700000000, 0.0003278900000000 ] - [ -0.0002083200000000, 0.0004715500000000, -0.0003094200000000 ] - [ -0.0001833200000000, -0.0004847600000000, -0.0003121900000000 ] - [ 0.0001555900000000, -0.0003306600000000, 0.0001888900000000 ] - [ -0.0001091000000000, 0.0002809700000000, -0.0002791200000000 ] - [ 0.0000041900000000, 0.0004045300000000, 0.0001287300000000 ] - [ 0.0024125100000000, -0.0000871800000000, -0.0003823800000000 ] - [ -0.0001118400000000, -0.0002945800000000, -0.0002703900000000 ] - [ -0.0000225600000000, 0.0002978800000000, -0.0001959300000000 ] - [ -0.0004850500000000, 0.0005354600000000, -0.0000073300000000 ] - [ 0.0001422500000000, -0.0003184800000000, 0.0002942900000000 ] - [ -0.0001243400000000, -0.0002590700000000, -0.0001946400000000 ] - [ -0.0000432900000000, -0.0002088400000000, 0.0004291000000000 ] - [ -0.0002351500000000, 0.0001287800000000, -0.0002085100000000 ] - [ -0.0002475400000000, -0.0002243200000000, -0.0003386600000000 ] - [ 0.0003125400000000, -0.0004031600000000, 0.0007641600000000 ] - [ 0.0000265600000000, -0.0001640900000000, -0.0004413300000000 ] - [ -0.0000640400000000, -0.0002296100000000, 0.0007811000000000 ] - [ 0.0000472600000000, 0.0001320600000000, 0.0002940300000000 ] - [ 0.0000280100000000, 0.0001846400000000, -0.0004805100000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014138000000000, 0.0000974700000000, 0.0005470900000000 ] - [ 0.0003930800000000, 0.0005580400000000, 0.0001295000000000 ] - [ 0.0002829800000000, -0.0004652700000000, 0.0002360700000000 ] - [ 0.0003236000000000, -0.0007947900000000, 0.0013877100000000 ] - [ -0.0007528100000000, -0.0179677200000000, 0.0104259200000000 ] - [ 0.0002197300000000, -0.0000335000000000, -0.0007166700000000 ] - [ 0.0003430100000000, 0.0001482600000000, -0.0007699800000000 ] - [ 0.0003091900000000, -0.0002490000000000, 0.0018867900000000 ] - [ 0.0000901500000000, 0.0000274900000000, -0.0003988000000000 ] - [ 0.0129509300000000, -0.0309279400000000, 0.0093481100000000 ] - [ -0.0003964600000000, -0.0003934000000000, 0.0015807200000000 ] - [ -0.0001132500000000, -0.0000988600000000, -0.0002996800000000 ] - [ -0.0003675300000000, 0.0004157300000000, -0.0001721800000000 ] - [ 0.0007328300000000, -0.0005708900000000, 0.0004617400000000 ] - [ 0.0000970400000000, 0.0002259200000000, 0.0008594300000000 ] - [ -0.0003604500000000, -0.0005341200000000, -0.0001279500000000 ] - [ -0.0001937500000000, -0.0000965400000000, 0.0008269500000000 ] - [ 0.0004910300000000, -0.0016928200000000, -0.0007625700000000 ] - [ 0.0006684200000000, 0.0001335100000000, -0.0010092300000000 ] - [ -0.0002811100000000, 0.0000742500000000, 0.0007165800000000 ] - [ -0.0006377100000000, 0.0008504000000000, -0.0000075900000000 ] - [ -0.0001086700000000, 0.0001020900000000, 0.0003402000000000 ] - [ -0.0000561500000000, -0.0001151500000000, 0.0003130000000000 ] - [ 0.0003999500000000, -0.0000937800000000, -0.0002019900000000 ] - [ -0.0047854300000000, -0.0048816200000000, -0.0011221900000000 ] - [ -0.0000878300000000, 0.0004964000000000, -0.0000824000000000 ] - [ 0.0042188800000000, -0.0035412400000000, 0.0012772800000000 ] - [ 0.0000731800000000, 0.0005114800000000, -0.0000800000000000 ] - [ 0.0010012000000000, -0.0031088000000000, -0.0050538500000000 ] - [ 0.0001725900000000, -0.0002178800000000, 0.0002477500000000 ] - [ 0.0003761000000000, 0.0002760200000000, 0.0002844500000000 ] - [ -0.0004227900000000, 0.0003595100000000, -0.0001358500000000 ] - [ 0.0000657600000000, -0.0004947100000000, 0.0000836400000000 ] - [ -0.0000667200000000, 0.0006315500000000, -0.0000879700000000 ] - [ -0.0000423700000000, -0.0005174600000000, 0.0000782600000000 ] - [ 0.0000054000000000, 0.0004807600000000, -0.0000834700000000 ] - [ -0.0003974600000000, -0.0002355500000000, -0.0003262800000000 ] - [ 0.0003798300000000, -0.0002961300000000, 0.0002378500000000 ] - [ 0.0004070300000000, 0.0001698800000000, 0.0005869700000000 ] - [ -0.0002543300000000, 0.0002647500000000, -0.0003460500000000 ] - [ -0.0005939000000000, 0.0005364300000000, 0.0002701200000000 ] - [ 0.0002702800000000, 0.0003493600000000, -0.0000548400000000 ] - [ 0.0002713300000000, -0.0003755400000000, 0.0000262400000000 ] - [ 0.0010342500000000, -0.0013645300000000, 0.0006080000000000 ] - [ 0.0001829100000000, 0.0005107100000000, 0.0003236000000000 ] - [ 0.0008393900000000, 0.0016437500000000, -0.0015966100000000 ] - [ 0.0014638200000000, 0.0014484200000000, 0.0022372300000000 ] - [ 0.0001922500000000, -0.0005137100000000, 0.0003207300000000 ] - [ -0.0000355200000000, 0.0003291300000000, -0.0001393700000000 ] - [ 0.0000737600000000, 0.0002660800000000, 0.0002224600000000 ] - [ -0.0001599700000000, -0.0003171500000000, 0.0001125100000000 ] - [ 0.0017531700000000, -0.0060286600000000, 0.0008187800000000 ] - [ 0.0002428900000000, 0.0008383400000000, 0.0020091300000000 ] - [ 0.0002306000000000, 0.0004070200000000, 0.0001709300000000 ] - [ -0.0000805500000000, -0.0003172200000000, 0.0001567500000000 ] - [ -0.0010203800000000, -0.0018358400000000, 0.0020863700000000 ] - [ 0.0000654300000000, -0.0000273300000000, 0.0003530200000000 ] - [ -0.0001980600000000, 0.0000700100000000, -0.0002443000000000 ] - [ -0.0001772400000000, -0.0003605400000000, -0.0006829500000000 ] - [ 0.0001937000000000, -0.0003451700000000, 0.0003529800000000 ] - [ -0.0152994900000000, 0.0664660600000000, -0.0320171800000000 ] - [ 0.0000707100000000, 0.0000958200000000, 0.0004356700000000 ] - [ -0.0000566200000000, 0.0001580800000000, 0.0005197200000000 ] - [ 0.0001271700000000, 0.0013349900000000, 0.0002178600000000 ] - [ -0.0002764600000000, 0.0003864700000000, 0.0000045700000000 ] - [ 0.0001208500000000, 0.0003331400000000, 0.0003033800000000 ] - [ -0.0008357900000000, -0.0016691500000000, 0.0029515900000000 ] - [ -0.0001211700000000, -0.0003185500000000, -0.0000343300000000 ] - [ 0.0001530400000000, 0.0002316900000000, 0.0003047900000000 ] - [ -0.0001692000000000, 0.0005389500000000, -0.0003264500000000 ] - [ -0.0001860300000000, -0.0005203600000000, -0.0003280100000000 ] - [ 0.0002156200000000, -0.0006790400000000, 0.0004555000000000 ] - [ -0.0000685100000000, 0.0002817400000000, -0.0002167000000000 ] - [ 0.0001814300000000, 0.0001605100000000, 0.0003663200000000 ] - [ -0.0022367800000000, -0.0004759000000000, 0.0008615200000000 ] - [ -0.0000788200000000, -0.0002641300000000, -0.0002175900000000 ] - [ -0.0000654600000000, 0.0003269400000000, -0.0002280100000000 ] - [ 0.0005699900000000, 0.0000924900000000, 0.0004239700000000 ] - [ -0.0000672200000000, -0.0003060800000000, 0.0001353700000000 ] - [ 0.0000434500000000, -0.0003672800000000, -0.0002308600000000 ] - [ 0.0004148000000000, 0.0005375100000000, 0.0000614700000000 ] - [ -0.0001432500000000, 0.0002010600000000, -0.0002819800000000 ] - [ -0.0001189600000000, -0.0000994700000000, -0.0001506900000000 ] - [ 0.0000537800000000, 0.0000762700000000, -0.0002784100000000 ] - [ 0.0000297000000000, -0.0001954400000000, -0.0004769100000000 ] - [ -0.0000002000000000, -0.0001318800000000, 0.0001368100000000 ] - [ -0.0000980100000000, 0.0002203900000000, 0.0006257100000000 ] - [ 0.0000299600000000, 0.0001752500000000, -0.0004391900000000 ]- atom: 61 displacement: [ -0.0002562758177658, 0.0000000000000000, 0.0099967155958959 ] forces: - [ -0.0012585300000000, 0.0002654300000000, 0.0007930700000000 ] - [ 0.0003150100000000, 0.0005331600000000, 0.0002934100000000 ] - [ 0.0003509200000000, -0.0004203900000000, 0.0002464800000000 ] - [ 0.0005441200000000, -0.0014758400000000, 0.0002233800000000 ] - [ -0.0132337200000000, -0.0078796100000000, 0.0339128400000000 ] - [ 0.0004322600000000, -0.0001246500000000, -0.0004565800000000 ] - [ 0.0002597900000000, 0.0001472100000000, -0.0008906500000000 ] - [ 0.0005361800000000, -0.0004635700000000, 0.0005950500000000 ] - [ 0.0000076300000000, 0.0001112100000000, -0.0003827500000000 ] - [ 0.0023350500000000, -0.0114410900000000, 0.0235224100000000 ] - [ -0.0005082000000000, -0.0008148700000000, 0.0015695700000000 ] - [ 0.0000731300000000, 0.0001120900000000, -0.0005783200000000 ] - [ -0.0003313100000000, 0.0003696700000000, -0.0002170400000000 ] - [ 0.0004475900000000, -0.0003486400000000, 0.0002434700000000 ] - [ 0.0001637100000000, -0.0014414300000000, 0.0012031000000000 ] - [ -0.0003075600000000, -0.0006416300000000, -0.0001956600000000 ] - [ -0.0003138800000000, -0.0001135900000000, 0.0008127700000000 ] - [ 0.0002115500000000, -0.0007199200000000, -0.0001089400000000 ] - [ 0.0001100800000000, 0.0000279200000000, -0.0010912000000000 ] - [ -0.0003408000000000, 0.0000562200000000, 0.0006757500000000 ] - [ -0.0007080200000000, -0.0010210400000000, 0.0009393900000000 ] - [ -0.0000816600000000, 0.0000805400000000, 0.0003750200000000 ] - [ -0.0000240000000000, -0.0001356500000000, 0.0003399000000000 ] - [ -0.0001834000000000, 0.0001625400000000, -0.0005816500000000 ] - [ 0.0016745700000000, 0.0006584100000000, 0.0003554600000000 ] - [ -0.0000896900000000, 0.0005545100000000, -0.0003529200000000 ] - [ 0.0013898700000000, -0.0019395200000000, 0.0006678200000000 ] - [ 0.0000291900000000, 0.0004942900000000, -0.0002153700000000 ] - [ -0.0021498400000000, 0.0049962300000000, 0.0077412300000000 ] - [ 0.0001056800000000, -0.0002530300000000, 0.0003002500000000 ] - [ 0.0003973700000000, 0.0002232700000000, 0.0003602900000000 ] - [ -0.0003556200000000, 0.0001518200000000, -0.0003821600000000 ] - [ 0.0001123900000000, -0.0004993700000000, 0.0001569000000000 ] - [ -0.0000440000000000, 0.0006559100000000, -0.0001344800000000 ] - [ -0.0001103600000000, -0.0004641200000000, 0.0001421600000000 ] - [ 0.0000911900000000, 0.0004473000000000, -0.0001770400000000 ] - [ -0.0003878400000000, -0.0002216000000000, -0.0003347200000000 ] - [ 0.0004007600000000, -0.0002864100000000, 0.0002837900000000 ] - [ 0.0000646500000000, 0.0001491900000000, 0.0003619400000000 ] - [ -0.0002091300000000, 0.0002630400000000, -0.0003242900000000 ] - [ -0.0006287100000000, 0.0004173100000000, 0.0000030000000000 ] - [ 0.0001591400000000, 0.0004010800000000, -0.0000083300000000 ] - [ 0.0002908800000000, -0.0003740200000000, 0.0000147300000000 ] - [ 0.0012352000000000, -0.0004816200000000, -0.0012371500000000 ] - [ 0.0001993400000000, 0.0005145700000000, 0.0003324400000000 ] - [ -0.0029734500000000, 0.0015772500000000, 0.0023626600000000 ] - [ 0.0015380400000000, -0.0027461900000000, 0.0024455600000000 ] - [ 0.0001678100000000, -0.0005318900000000, 0.0003154700000000 ] - [ 0.0001546600000000, 0.0003405500000000, 0.0002523900000000 ] - [ 0.0001304100000000, 0.0002716300000000, 0.0002268500000000 ] - [ 0.0001002300000000, -0.0002864100000000, 0.0002271800000000 ] - [ -0.0007728000000000, -0.0008309600000000, -0.0025423600000000 ] - [ 0.0005734100000000, -0.0014053300000000, 0.0043868100000000 ] - [ -0.0003353000000000, 0.0003831400000000, 0.0003269000000000 ] - [ 0.0001286600000000, -0.0002892800000000, 0.0002507500000000 ] - [ 0.0003583400000000, -0.0031399700000000, 0.0024524800000000 ] - [ 0.0000353800000000, 0.0002789400000000, 0.0000675200000000 ] - [ 0.0004106900000000, -0.0000611100000000, -0.0003968700000000 ] - [ -0.0006446200000000, -0.0000935200000000, -0.0005016500000000 ] - [ 0.0001751900000000, -0.0001990100000000, 0.0004035600000000 ] - [ 0.0119456100000000, 0.0304205100000000, -0.0794790100000000 ] - [ 0.0001210600000000, -0.0002001100000000, 0.0003307900000000 ] - [ 0.0000091900000000, 0.0001187600000000, 0.0005834000000000 ] - [ 0.0003016300000000, 0.0008519600000000, -0.0000435600000000 ] - [ -0.0002839100000000, 0.0003741800000000, -0.0000552800000000 ] - [ 0.0001205000000000, 0.0003162600000000, -0.0000919800000000 ] - [ 0.0003982100000000, -0.0038653000000000, 0.0015022000000000 ] - [ -0.0001752900000000, -0.0003851800000000, 0.0000497100000000 ] - [ 0.0004038000000000, 0.0004906800000000, 0.0002792300000000 ] - [ -0.0001484800000000, 0.0005464900000000, -0.0003257600000000 ] - [ -0.0002434000000000, -0.0004584000000000, -0.0003309600000000 ] - [ -0.0000123700000000, -0.0009076800000000, 0.0004419000000000 ] - [ -0.0000170100000000, 0.0002920700000000, -0.0001832300000000 ] - [ 0.0003671900000000, 0.0002872600000000, 0.0004977200000000 ] - [ -0.0026015900000000, -0.0009662800000000, -0.0002896600000000 ] - [ -0.0001820500000000, -0.0002493800000000, -0.0002899300000000 ] - [ -0.0000132600000000, 0.0003103400000000, -0.0002171300000000 ] - [ 0.0002626100000000, 0.0000149200000000, 0.0000876800000000 ] - [ -0.0004478900000000, -0.0005097700000000, 0.0004179700000000 ] - [ 0.0000144500000000, -0.0003489900000000, -0.0002179800000000 ] - [ 0.0006075000000000, 0.0006339200000000, 0.0001858600000000 ] - [ -0.0001302200000000, 0.0002066800000000, -0.0003476700000000 ] - [ -0.0002006500000000, -0.0001114000000000, -0.0001128900000000 ] - [ -0.0002415500000000, 0.0001006700000000, -0.0000958500000000 ] - [ 0.0000272900000000, -0.0001634400000000, -0.0005281000000000 ] - [ 0.0003199400000000, -0.0005054600000000, -0.0012149100000000 ] - [ 0.0000680400000000, 0.0000064600000000, 0.0007406900000000 ] - [ 0.0000129800000000, 0.0002011100000000, -0.0003668900000000 ]- atom: 61 displacement: [ 0.0002562758177658, 0.0000000000000000, -0.0099967155958959 ] forces: - [ 0.0007222700000000, 0.0006331200000000, -0.0012378800000000 ] - [ 0.0002347000000000, 0.0003695300000000, 0.0001400200000000 ] - [ 0.0001984700000000, -0.0004736900000000, 0.0001887900000000 ] - [ -0.0010781900000000, 0.0005591200000000, -0.0006658600000000 ] - [ 0.0132652100000000, 0.0082695900000000, -0.0336680900000000 ] - [ 0.0001981500000000, -0.0001337100000000, -0.0011407300000000 ] - [ 0.0003981400000000, 0.0001131400000000, -0.0007233300000000 ] - [ -0.0012009600000000, 0.0007336500000000, 0.0010333600000000 ] - [ 0.0000736500000000, 0.0001719600000000, -0.0002774200000000 ] - [ -0.0022025300000000, 0.0113164100000000, -0.0223762300000000 ] - [ 0.0004621400000000, 0.0005074400000000, -0.0009106700000000 ] - [ -0.0000059000000000, -0.0004142500000000, -0.0000886400000000 ] - [ -0.0002300900000000, 0.0005298700000000, -0.0002145500000000 ] - [ 0.0000984400000000, 0.0012276000000000, 0.0001883500000000 ] - [ 0.0004116700000000, 0.0005715600000000, -0.0007684000000000 ] - [ -0.0002457900000000, -0.0002534800000000, -0.0002397200000000 ] - [ -0.0003255600000000, -0.0001592500000000, 0.0008009100000000 ] - [ 0.0004667400000000, 0.0004349200000000, -0.0015350700000000 ] - [ 0.0005516700000000, 0.0002408600000000, -0.0005176900000000 ] - [ -0.0003140300000000, 0.0001981100000000, 0.0009177300000000 ] - [ 0.0008209500000000, 0.0013569000000000, -0.0016253500000000 ] - [ -0.0000028200000000, 0.0002058900000000, 0.0002857800000000 ] - [ -0.0000510900000000, -0.0001732100000000, 0.0003257500000000 ] - [ 0.0002617700000000, -0.0004488000000000, -0.0000673400000000 ] - [ -0.0016643100000000, -0.0018276500000000, -0.0003407100000000 ] - [ 0.0000889200000000, 0.0006278700000000, 0.0003528200000000 ] - [ -0.0013916900000000, 0.0009813900000000, -0.0006667400000000 ] - [ -0.0000300400000000, 0.0004729700000000, 0.0002153900000000 ] - [ 0.0014600900000000, -0.0053129400000000, -0.0081358700000000 ] - [ 0.0005129000000000, -0.0002615200000000, 0.0003367300000000 ] - [ 0.0002176900000000, 0.0002914700000000, 0.0002810500000000 ] - [ -0.0002600700000000, 0.0003629100000000, -0.0002581200000000 ] - [ -0.0001146500000000, -0.0006803800000000, -0.0001599700000000 ] - [ 0.0000411200000000, 0.0005268700000000, 0.0001355500000000 ] - [ 0.0001082300000000, -0.0005048600000000, -0.0001441700000000 ] - [ -0.0000940600000000, 0.0005221500000000, 0.0001785700000000 ] - [ -0.0002308100000000, -0.0002928900000000, -0.0003059800000000 ] - [ 0.0002177100000000, -0.0002302800000000, 0.0003570200000000 ] - [ 0.0005565600000000, 0.0003690800000000, 0.0002755400000000 ] - [ -0.0004119300000000, 0.0002534000000000, -0.0003188500000000 ] - [ 0.0001198100000000, 0.0003164200000000, 0.0000000100000000 ] - [ 0.0003493800000000, 0.0003367700000000, 0.0000038900000000 ] - [ 0.0002153300000000, -0.0003566200000000, -0.0000135400000000 ] - [ -0.0017242400000000, -0.0002547800000000, 0.0012079100000000 ] - [ 0.0001632000000000, 0.0004873800000000, 0.0003075800000000 ] - [ 0.0026743900000000, -0.0005948500000000, -0.0030510300000000 ] - [ -0.0018701500000000, 0.0017001200000000, -0.0030380700000000 ] - [ 0.0002020400000000, -0.0004712000000000, 0.0003221500000000 ] - [ -0.0003415700000000, 0.0002226100000000, -0.0007447900000000 ] - [ 0.0000569600000000, 0.0002895600000000, 0.0002641100000000 ] - [ 0.0000871100000000, -0.0002701500000000, 0.0002642100000000 ] - [ 0.0005738100000000, 0.0002818000000000, 0.0020236900000000 ] - [ -0.0006780900000000, 0.0020697500000000, -0.0049011200000000 ] - [ 0.0004321600000000, 0.0002467200000000, 0.0001043800000000 ] - [ -0.0000414600000000, -0.0003328200000000, 0.0001705000000000 ] - [ -0.0004501900000000, 0.0024448800000000, -0.0028326200000000 ] - [ 0.0003322400000000, 0.0000473500000000, 0.0004192600000000 ] - [ -0.0007890100000000, 0.0003914400000000, -0.0000986900000000 ] - [ 0.0002756900000000, -0.0002390600000000, 0.0000119100000000 ] - [ 0.0001959200000000, -0.0001286400000000, 0.0000872600000000 ] - [ -0.0129192500000000, -0.0312386300000000, 0.0794057700000000 ] - [ -0.0001691200000000, -0.0001635100000000, 0.0005747900000000 ] - [ -0.0000684900000000, 0.0002353400000000, 0.0003350400000000 ] - [ -0.0002359600000000, -0.0005066800000000, -0.0008913500000000 ] - [ -0.0002280500000000, 0.0003640800000000, 0.0000511400000000 ] - [ 0.0003906300000000, 0.0004218400000000, 0.0000901600000000 ] - [ 0.0001186300000000, 0.0032068500000000, -0.0015184100000000 ] - [ -0.0003320100000000, -0.0003393600000000, -0.0000465200000000 ] - [ -0.0000311400000000, 0.0005125700000000, 0.0003481500000000 ] - [ -0.0002233500000000, 0.0004636100000000, -0.0003133000000000 ] - [ -0.0001231300000000, -0.0005446000000000, -0.0003096200000000 ] - [ 0.0003845000000000, -0.0000957000000000, 0.0001985800000000 ] - [ -0.0001675000000000, 0.0002694900000000, -0.0003120900000000 ] - [ -0.0001827700000000, 0.0002739900000000, -0.0000104200000000 ] - [ 0.0027954600000000, 0.0004115500000000, 0.0007928400000000 ] - [ -0.0000109800000000, -0.0003108200000000, -0.0001942700000000 ] - [ -0.0000791900000000, 0.0003168600000000, -0.0002100000000000 ] - [ -0.0001813400000000, 0.0006161600000000, 0.0003263000000000 ] - [ 0.0005387800000000, -0.0001151000000000, 0.0000060400000000 ] - [ -0.0000985300000000, -0.0002798300000000, -0.0002081100000000 ] - [ -0.0002380100000000, -0.0003056300000000, 0.0003059500000000 ] - [ -0.0002484900000000, 0.0001236600000000, -0.0001427100000000 ] - [ -0.0001662600000000, -0.0002132800000000, -0.0003777900000000 ] - [ 0.0006143600000000, -0.0004278700000000, 0.0005837400000000 ] - [ 0.0000269500000000, -0.0001955400000000, -0.0003856700000000 ] - [ -0.0003860600000000, 0.0001488900000000, 0.0021472400000000 ] - [ -0.0001199700000000, 0.0003460600000000, 0.0001735700000000 ] - [ 0.0000442600000000, 0.0001580100000000, -0.0005520100000000 ]