# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6e9aab8f-3fd7-4694-a4d5-b6a8470e4078/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 Ta2SnO6 / Cc (9) / materials id 556489](https://mdr.nims.go.jp/datasets/0f2d0134-0631-4128-9543-b235dca98505) ## 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: "Cc" number: 9 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, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 8.619098810000001, -2.431388655000000, -0.001536950000000 ] # a - [ 8.619098810000001, 2.431388655000000, -0.001536950000000 ] # b - [ -0.139951160000000, 0.000000000000000, 5.547918560000000 ] # c points: - symbol: Ta # 1 coordinates: [ 0.587855980000000, 0.072985400000000, 0.841123750000000 ] mass: 180.947880 - symbol: Ta # 2 coordinates: [ 0.072985400000000, 0.587855980000000, 0.341123750000000 ] mass: 180.947880 - symbol: Ta # 3 coordinates: [ 0.927530280000000, 0.412661460000000, 0.662817120000000 ] mass: 180.947880 - symbol: Ta # 4 coordinates: [ 0.412661460000000, 0.927530280000000, 0.162817120000000 ] mass: 180.947880 - symbol: Sn # 5 coordinates: [ 0.765591470000000, 0.234924590000000, 0.251972240000000 ] mass: 118.710000 - symbol: Sn # 6 coordinates: [ 0.234924590000000, 0.765591470000000, 0.751972240000000 ] mass: 118.710000 - symbol: O # 7 coordinates: [ 0.605407090000000, 0.681430010000000, 0.427240530000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.395114450000000, 0.319083110000000, 0.576691860000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.842204900000000, 0.719606780000000, 0.649917930000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.681430010000000, 0.605407090000000, 0.927240530000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.005617760000000, 0.849555840000000, 0.410294670000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.994907890000000, 0.150953970000000, 0.593641080000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.849555840000000, 0.005617760000000, 0.910294670000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.158319060000000, 0.280901700000000, 0.354024310000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.150953970000000, 0.994907890000000, 0.093641080000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.719606780000000, 0.842204900000000, 0.149917930000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.280901700000000, 0.158319060000000, 0.854024310000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.319083110000000, 0.395114450000000, 0.076691860000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.058010966130092, -0.205643799057703, 0.001463378006513 ] # a* - [ 0.058010966130092, 0.205643799057703, 0.001463378006513 ] # b* - [ 0.000032141767558, 0.000000000000000, 0.180248590072608 ] # c*unit_cell: lattice: - [ 17.238197620000001, 0.000000000000000, -0.003073900000000 ] # a - [ 0.000000000000000, 4.862777310000000, 0.000000000000000 ] # b - [ -0.139951160000000, 0.000000000000000, 5.547918560000000 ] # c points: - symbol: Ta # 1 coordinates: [ 0.330420690000000, 0.742564710000000, 0.841123750000000 ] mass: 180.947880 reduced_to: 1 - symbol: Ta # 2 coordinates: [ 0.330420690000000, 0.257435290000000, 0.341123750000000 ] mass: 180.947880 reduced_to: 2 - symbol: Ta # 3 coordinates: [ 0.170095870000000, 0.242565590000000, 0.662817120000000 ] mass: 180.947880 reduced_to: 3 - symbol: Ta # 4 coordinates: [ 0.170095870000000, 0.757434410000000, 0.162817120000000 ] mass: 180.947880 reduced_to: 4 - symbol: Ta # 5 coordinates: [ 0.830420690000000, 0.242564710000000, 0.841123750000000 ] mass: 180.947880 reduced_to: 1 - symbol: Ta # 6 coordinates: [ 0.830420690000000, 0.757435290000000, 0.341123750000000 ] mass: 180.947880 reduced_to: 2 - symbol: Ta # 7 coordinates: [ 0.670095870000000, 0.742565590000000, 0.662817120000000 ] mass: 180.947880 reduced_to: 3 - symbol: Ta # 8 coordinates: [ 0.670095870000000, 0.257434410000000, 0.162817120000000 ] mass: 180.947880 reduced_to: 4 - symbol: Sn # 9 coordinates: [ 0.000258030000000, 0.234666560000000, 0.251972240000000 ] mass: 118.710000 reduced_to: 9 - symbol: Sn # 10 coordinates: [ 0.000258030000000, 0.765333440000000, 0.751972240000000 ] mass: 118.710000 reduced_to: 10 - symbol: Sn # 11 coordinates: [ 0.500258030000000, 0.734666560000000, 0.251972240000000 ] mass: 118.710000 reduced_to: 9 - symbol: Sn # 12 coordinates: [ 0.500258030000000, 0.265333440000000, 0.751972240000000 ] mass: 118.710000 reduced_to: 10 - symbol: O # 13 coordinates: [ 0.143418550000000, 0.538011460000000, 0.427240530000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.357098780000000, 0.961984330000000, 0.576691860000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.280905840000000, 0.438700940000000, 0.649917930000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.143418550000000, 0.461988540000000, 0.927240530000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.427586800000000, 0.421969040000000, 0.410294670000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.072930930000000, 0.078023040000000, 0.593641080000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.427586800000000, 0.578030960000000, 0.910294670000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.219610380000000, 0.061291320000000, 0.354024310000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.072930930000000, 0.921976960000000, 0.093641080000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.280905840000000, 0.561299060000000, 0.149917930000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.219610380000000, 0.938708680000000, 0.854024310000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.357098780000000, 0.038015670000000, 0.076691860000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.643418550000000, 0.038011460000000, 0.427240530000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 26 coordinates: [ 0.857098780000000, 0.461984330000000, 0.576691860000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 27 coordinates: [ 0.780905840000000, 0.938700940000000, 0.649917930000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 28 coordinates: [ 0.643418550000000, 0.961988540000000, 0.927240530000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 29 coordinates: [ 0.927586800000000, 0.921969040000000, 0.410294670000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 30 coordinates: [ 0.572930930000000, 0.578023040000000, 0.593641080000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 31 coordinates: [ 0.927586800000000, 0.078030960000000, 0.910294670000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 32 coordinates: [ 0.719610380000000, 0.561291320000000, 0.354024310000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 33 coordinates: [ 0.572930930000000, 0.421976960000000, 0.093641080000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 34 coordinates: [ 0.780905840000000, 0.061299060000000, 0.149917930000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 35 coordinates: [ 0.719610380000000, 0.438708680000000, 0.854024310000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 36 coordinates: [ 0.857098780000000, 0.538015670000000, 0.076691860000000 ] mass: 15.999400 reduced_to: 24supercell: lattice: - [ 17.238197620000001, 0.000000000000000, -0.003073900000000 ] # a - [ 0.000000000000000, 9.725554620000000, 0.000000000000000 ] # b - [ -0.279902320000000, 0.000000000000000, 11.095837120000001 ] # c points: - symbol: Ta # 1 coordinates: [ 0.330420690000000, 0.371282355000000, 0.420561875000000 ] mass: 180.947880 reduced_to: 1 - symbol: Ta # 2 coordinates: [ 0.330420690000000, 0.871282355000000, 0.420561875000000 ] mass: 180.947880 reduced_to: 1 - symbol: Ta # 3 coordinates: [ 0.330420690000000, 0.371282355000000, 0.920561875000000 ] mass: 180.947880 reduced_to: 1 - symbol: Ta # 4 coordinates: [ 0.330420690000000, 0.871282355000000, 0.920561875000000 ] mass: 180.947880 reduced_to: 1 - symbol: Ta # 5 coordinates: [ 0.330420690000000, 0.128717645000000, 0.170561875000000 ] mass: 180.947880 reduced_to: 5 - symbol: Ta # 6 coordinates: [ 0.330420690000000, 0.628717645000000, 0.170561875000000 ] mass: 180.947880 reduced_to: 5 - symbol: Ta # 7 coordinates: [ 0.330420690000000, 0.128717645000000, 0.670561875000000 ] mass: 180.947880 reduced_to: 5 - symbol: Ta # 8 coordinates: [ 0.330420690000000, 0.628717645000000, 0.670561875000000 ] mass: 180.947880 reduced_to: 5 - symbol: Ta # 9 coordinates: [ 0.170095870000000, 0.121282795000000, 0.331408560000000 ] mass: 180.947880 reduced_to: 9 - symbol: Ta # 10 coordinates: [ 0.170095870000000, 0.621282795000000, 0.331408560000000 ] mass: 180.947880 reduced_to: 9 - symbol: Ta # 11 coordinates: [ 0.170095870000000, 0.121282795000000, 0.831408560000000 ] mass: 180.947880 reduced_to: 9 - symbol: Ta # 12 coordinates: [ 0.170095870000000, 0.621282795000000, 0.831408560000000 ] mass: 180.947880 reduced_to: 9 - symbol: Ta # 13 coordinates: [ 0.170095870000000, 0.378717205000000, 0.081408560000000 ] mass: 180.947880 reduced_to: 13 - symbol: Ta # 14 coordinates: [ 0.170095870000000, 0.878717205000000, 0.081408560000000 ] mass: 180.947880 reduced_to: 13 - symbol: Ta # 15 coordinates: [ 0.170095870000000, 0.378717205000000, 0.581408560000000 ] mass: 180.947880 reduced_to: 13 - symbol: Ta # 16 coordinates: [ 0.170095870000000, 0.878717205000000, 0.581408560000000 ] mass: 180.947880 reduced_to: 13 - symbol: Ta # 17 coordinates: [ 0.830420690000000, 0.121282355000000, 0.420561875000000 ] mass: 180.947880 reduced_to: 1 - symbol: Ta # 18 coordinates: [ 0.830420690000000, 0.621282355000000, 0.420561875000000 ] mass: 180.947880 reduced_to: 1 - symbol: Ta # 19 coordinates: [ 0.830420690000000, 0.121282355000000, 0.920561875000000 ] mass: 180.947880 reduced_to: 1 - symbol: Ta # 20 coordinates: [ 0.830420690000000, 0.621282355000000, 0.920561875000000 ] mass: 180.947880 reduced_to: 1 - symbol: Ta # 21 coordinates: [ 0.830420690000000, 0.378717645000000, 0.170561875000000 ] mass: 180.947880 reduced_to: 5 - symbol: Ta # 22 coordinates: [ 0.830420690000000, 0.878717645000000, 0.170561875000000 ] mass: 180.947880 reduced_to: 5 - symbol: Ta # 23 coordinates: [ 0.830420690000000, 0.378717645000000, 0.670561875000000 ] mass: 180.947880 reduced_to: 5 - symbol: Ta # 24 coordinates: [ 0.830420690000000, 0.878717645000000, 0.670561875000000 ] mass: 180.947880 reduced_to: 5 - symbol: Ta # 25 coordinates: [ 0.670095870000000, 0.371282795000000, 0.331408560000000 ] mass: 180.947880 reduced_to: 9 - symbol: Ta # 26 coordinates: [ 0.670095870000000, 0.871282795000000, 0.331408560000000 ] mass: 180.947880 reduced_to: 9 - symbol: Ta # 27 coordinates: [ 0.670095870000000, 0.371282795000000, 0.831408560000000 ] mass: 180.947880 reduced_to: 9 - symbol: Ta # 28 coordinates: [ 0.670095870000000, 0.871282795000000, 0.831408560000000 ] mass: 180.947880 reduced_to: 9 - symbol: Ta # 29 coordinates: [ 0.670095870000000, 0.128717205000000, 0.081408560000000 ] mass: 180.947880 reduced_to: 13 - symbol: Ta # 30 coordinates: [ 0.670095870000000, 0.628717205000000, 0.081408560000000 ] mass: 180.947880 reduced_to: 13 - symbol: Ta # 31 coordinates: [ 0.670095870000000, 0.128717205000000, 0.581408560000000 ] mass: 180.947880 reduced_to: 13 - symbol: Ta # 32 coordinates: [ 0.670095870000000, 0.628717205000000, 0.581408560000000 ] mass: 180.947880 reduced_to: 13 - symbol: Sn # 33 coordinates: [ 0.000258030000000, 0.117333280000000, 0.125986120000000 ] mass: 118.710000 reduced_to: 33 - symbol: Sn # 34 coordinates: [ 0.000258030000000, 0.617333280000000, 0.125986120000000 ] mass: 118.710000 reduced_to: 33 - symbol: Sn # 35 coordinates: [ 0.000258030000000, 0.117333280000000, 0.625986120000000 ] mass: 118.710000 reduced_to: 33 - symbol: Sn # 36 coordinates: [ 0.000258030000000, 0.617333280000000, 0.625986120000000 ] mass: 118.710000 reduced_to: 33 - symbol: Sn # 37 coordinates: [ 0.000258030000000, 0.382666720000000, 0.375986120000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 38 coordinates: [ 0.000258030000000, 0.882666720000000, 0.375986120000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 39 coordinates: [ 0.000258030000000, 0.382666720000000, 0.875986120000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 40 coordinates: [ 0.000258030000000, 0.882666720000000, 0.875986120000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 41 coordinates: [ 0.500258030000000, 0.367333280000000, 0.125986120000000 ] mass: 118.710000 reduced_to: 33 - symbol: Sn # 42 coordinates: [ 0.500258030000000, 0.867333280000000, 0.125986120000000 ] mass: 118.710000 reduced_to: 33 - symbol: Sn # 43 coordinates: [ 0.500258030000000, 0.367333280000000, 0.625986120000000 ] mass: 118.710000 reduced_to: 33 - symbol: Sn # 44 coordinates: [ 0.500258030000000, 0.867333280000000, 0.625986120000000 ] mass: 118.710000 reduced_to: 33 - symbol: Sn # 45 coordinates: [ 0.500258030000000, 0.132666720000000, 0.375986120000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 46 coordinates: [ 0.500258030000000, 0.632666720000000, 0.375986120000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 47 coordinates: [ 0.500258030000000, 0.132666720000000, 0.875986120000000 ] mass: 118.710000 reduced_to: 37 - symbol: Sn # 48 coordinates: [ 0.500258030000000, 0.632666720000000, 0.875986120000000 ] mass: 118.710000 reduced_to: 37 - symbol: O # 49 coordinates: [ 0.143418550000000, 0.269005730000000, 0.213620265000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.143418550000000, 0.769005730000000, 0.213620265000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.143418550000000, 0.269005730000000, 0.713620265000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.143418550000000, 0.769005730000000, 0.713620265000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.357098780000000, 0.480992165000000, 0.288345930000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.357098780000000, 0.980992165000000, 0.288345930000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.357098780000000, 0.480992165000000, 0.788345930000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.357098780000000, 0.980992165000000, 0.788345930000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.280905840000000, 0.219350470000000, 0.324958965000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.280905840000000, 0.719350470000000, 0.324958965000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.280905840000000, 0.219350470000000, 0.824958965000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.280905840000000, 0.719350470000000, 0.824958965000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.143418550000000, 0.230994270000000, 0.463620265000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.143418550000000, 0.730994270000000, 0.463620265000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.143418550000000, 0.230994270000000, 0.963620265000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.143418550000000, 0.730994270000000, 0.963620265000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.427586800000000, 0.210984520000000, 0.205147335000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.427586800000000, 0.710984520000000, 0.205147335000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.427586800000000, 0.210984520000000, 0.705147335000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.427586800000000, 0.710984520000000, 0.705147335000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.072930930000000, 0.039011520000000, 0.296820540000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.072930930000000, 0.539011520000000, 0.296820540000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.072930930000000, 0.039011520000000, 0.796820540000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.072930930000000, 0.539011520000000, 0.796820540000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.427586800000000, 0.289015480000000, 0.455147335000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.427586800000000, 0.789015480000000, 0.455147335000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.427586800000000, 0.289015480000000, 0.955147335000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.427586800000000, 0.789015480000000, 0.955147335000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.219610380000000, 0.030645660000000, 0.177012155000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.219610380000000, 0.530645660000000, 0.177012155000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.219610380000000, 0.030645660000000, 0.677012155000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.219610380000000, 0.530645660000000, 0.677012155000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.072930930000000, 0.460988480000000, 0.046820540000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.072930930000000, 0.960988480000000, 0.046820540000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.072930930000000, 0.460988480000000, 0.546820540000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.072930930000000, 0.960988480000000, 0.546820540000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.280905840000000, 0.280649530000000, 0.074958965000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.280905840000000, 0.780649530000000, 0.074958965000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.280905840000000, 0.280649530000000, 0.574958965000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.280905840000000, 0.780649530000000, 0.574958965000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.219610380000000, 0.469354340000000, 0.427012155000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.219610380000000, 0.969354340000000, 0.427012155000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.219610380000000, 0.469354340000000, 0.927012155000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.219610380000000, 0.969354340000000, 0.927012155000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.357098780000000, 0.019007835000000, 0.038345930000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.357098780000000, 0.519007835000000, 0.038345930000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.357098780000000, 0.019007835000000, 0.538345930000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.357098780000000, 0.519007835000000, 0.538345930000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 97 coordinates: [ 0.643418550000000, 0.019005730000000, 0.213620265000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 98 coordinates: [ 0.643418550000000, 0.519005730000000, 0.213620265000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 99 coordinates: [ 0.643418550000000, 0.019005730000000, 0.713620265000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 100 coordinates: [ 0.643418550000000, 0.519005730000000, 0.713620265000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 101 coordinates: [ 0.857098780000000, 0.230992165000000, 0.288345930000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 102 coordinates: [ 0.857098780000000, 0.730992165000000, 0.288345930000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 103 coordinates: [ 0.857098780000000, 0.230992165000000, 0.788345930000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 104 coordinates: [ 0.857098780000000, 0.730992165000000, 0.788345930000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 105 coordinates: [ 0.780905840000000, 0.469350470000000, 0.324958965000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 106 coordinates: [ 0.780905840000000, 0.969350470000000, 0.324958965000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 107 coordinates: [ 0.780905840000000, 0.469350470000000, 0.824958965000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 108 coordinates: [ 0.780905840000000, 0.969350470000000, 0.824958965000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 109 coordinates: [ 0.643418550000000, 0.480994270000000, 0.463620265000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 110 coordinates: [ 0.643418550000000, 0.980994270000000, 0.463620265000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 111 coordinates: [ 0.643418550000000, 0.480994270000000, 0.963620265000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 112 coordinates: [ 0.643418550000000, 0.980994270000000, 0.963620265000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 113 coordinates: [ 0.927586800000000, 0.460984520000000, 0.205147335000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 114 coordinates: [ 0.927586800000000, 0.960984520000000, 0.205147335000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 115 coordinates: [ 0.927586800000000, 0.460984520000000, 0.705147335000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 116 coordinates: [ 0.927586800000000, 0.960984520000000, 0.705147335000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 117 coordinates: [ 0.572930930000000, 0.289011520000000, 0.296820540000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 118 coordinates: [ 0.572930930000000, 0.789011520000000, 0.296820540000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 119 coordinates: [ 0.572930930000000, 0.289011520000000, 0.796820540000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 120 coordinates: [ 0.572930930000000, 0.789011520000000, 0.796820540000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 121 coordinates: [ 0.927586800000000, 0.039015480000000, 0.455147335000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 122 coordinates: [ 0.927586800000000, 0.539015480000000, 0.455147335000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 123 coordinates: [ 0.927586800000000, 0.039015480000000, 0.955147335000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 124 coordinates: [ 0.927586800000000, 0.539015480000000, 0.955147335000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 125 coordinates: [ 0.719610380000000, 0.280645660000000, 0.177012155000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 126 coordinates: [ 0.719610380000000, 0.780645660000000, 0.177012155000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 127 coordinates: [ 0.719610380000000, 0.280645660000000, 0.677012155000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 128 coordinates: [ 0.719610380000000, 0.780645660000000, 0.677012155000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 129 coordinates: [ 0.572930930000000, 0.210988480000000, 0.046820540000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 130 coordinates: [ 0.572930930000000, 0.710988480000000, 0.046820540000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 131 coordinates: [ 0.572930930000000, 0.210988480000000, 0.546820540000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 132 coordinates: [ 0.572930930000000, 0.710988480000000, 0.546820540000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 133 coordinates: [ 0.780905840000000, 0.030649530000000, 0.074958965000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 134 coordinates: [ 0.780905840000000, 0.530649530000000, 0.074958965000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 135 coordinates: [ 0.780905840000000, 0.030649530000000, 0.574958965000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 136 coordinates: [ 0.780905840000000, 0.530649530000000, 0.574958965000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 137 coordinates: [ 0.719610380000000, 0.219354340000000, 0.427012155000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 138 coordinates: [ 0.719610380000000, 0.719354340000000, 0.427012155000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 139 coordinates: [ 0.719610380000000, 0.219354340000000, 0.927012155000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 140 coordinates: [ 0.719610380000000, 0.719354340000000, 0.927012155000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 141 coordinates: [ 0.857098780000000, 0.269007835000000, 0.038345930000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 142 coordinates: [ 0.857098780000000, 0.769007835000000, 0.038345930000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 143 coordinates: [ 0.857098780000000, 0.269007835000000, 0.538345930000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 144 coordinates: [ 0.857098780000000, 0.769007835000000, 0.538345930000000 ] mass: 15.999400 reduced_to: 93displacements:- atom: 1 displacement: [ 0.0099999998410115, 0.0000000000000000, -0.0000017831910382 ] forces: - [ -0.3301079800000000, 0.0150411200000000, -0.0057388900000000 ] - [ -0.0135731300000000, 0.0036402600000000, -0.0057754400000000 ] - [ -0.0111207700000000, -0.0052409900000000, -0.0004706300000000 ] - [ -0.0058035300000000, 0.0053045300000000, -0.0012854900000000 ] - [ -0.0271895700000000, 0.0065873500000000, 0.0146602200000000 ] - [ -0.0211011000000000, 0.0135056600000000, -0.0115343200000000 ] - [ -0.0271133400000000, 0.0124704800000000, -0.0106211800000000 ] - [ -0.0211261900000000, 0.0101432500000000, 0.0152328100000000 ] - [ 0.0193111800000000, 0.0235044300000000, 0.0112348600000000 ] - [ 0.0192503500000000, -0.0472564400000000, 0.0330306100000000 ] - [ -0.0040918900000000, 0.0050047100000000, -0.0048447500000000 ] - [ -0.0041000200000000, -0.0021710400000000, -0.0041811300000000 ] - [ -0.0025700400000000, -0.0020573400000000, 0.0096887200000000 ] - [ -0.0050901500000000, -0.0005900800000000, 0.0060707900000000 ] - [ 0.0332383300000000, 0.0096115400000000, -0.0483464100000000 ] - [ -0.0059641000000000, -0.0022411800000000, -0.0079713300000000 ] - [ 0.0083365100000000, 0.0004874800000000, -0.0000301300000000 ] - [ 0.0083359100000000, 0.0001167900000000, 0.0004953900000000 ] - [ 0.0067679500000000, 0.0001057100000000, 0.0006744400000000 ] - [ 0.0067674900000000, 0.0007434300000000, 0.0009860300000000 ] - [ 0.0078513700000000, 0.0000432300000000, 0.0006335200000000 ] - [ 0.0070813300000000, -0.0005133900000000, 0.0002867100000000 ] - [ 0.0078516500000000, -0.0000633100000000, 0.0002581900000000 ] - [ 0.0070821100000000, -0.0010036700000000, 0.0006856900000000 ] - [ 0.0103130900000000, 0.0024899500000000, -0.0001057900000000 ] - [ 0.0073511500000000, -0.0012375600000000, -0.0008954300000000 ] - [ 0.0074466100000000, 0.0003867500000000, 0.0032617900000000 ] - [ 0.0037478400000000, -0.0010656500000000, 0.0014992700000000 ] - [ 0.0045035200000000, -0.0000413500000000, -0.0013656400000000 ] - [ 0.0047408300000000, 0.0012358400000000, -0.0007246900000000 ] - [ 0.0098533400000000, -0.0025412400000000, 0.0035250900000000 ] - [ 0.0065214300000000, 0.0021460700000000, 0.0011274800000000 ] - [ 0.0036777900000000, 0.0006479000000000, 0.0020133100000000 ] - [ 0.0043498200000000, 0.0001621800000000, 0.0030591000000000 ] - [ 0.0038790500000000, 0.0011789000000000, -0.0003585300000000 ] - [ 0.0048389300000000, -0.0016309300000000, -0.0018220700000000 ] - [ 0.0081461600000000, 0.0008276300000000, 0.0013414300000000 ] - [ 0.0047868600000000, -0.0000114000000000, -0.0000598000000000 ] - [ 0.0027613200000000, -0.0002769200000000, 0.0004098800000000 ] - [ 0.0024484700000000, -0.0002083100000000, 0.0003524400000000 ] - [ 0.0013544900000000, -0.0001749000000000, -0.0058159900000000 ] - [ -0.0012234000000000, -0.0006136900000000, -0.0022008100000000 ] - [ 0.0212360300000000, 0.0007884300000000, 0.0316246200000000 ] - [ -0.0008656600000000, 0.0004800000000000, 0.0006726200000000 ] - [ 0.0244052200000000, -0.0239918800000000, -0.0133812900000000 ] - [ 0.0048066600000000, 0.0104955300000000, -0.0004166900000000 ] - [ -0.0017075900000000, -0.0015940400000000, 0.0009765500000000 ] - [ -0.0003922600000000, 0.0021142700000000, 0.0014701200000000 ] - [ -0.0021650700000000, 0.0022019800000000, -0.0070913000000000 ] - [ 0.0002994100000000, 0.0094906000000000, -0.0105064700000000 ] - [ -0.0013813600000000, -0.0085431600000000, 0.0103915500000000 ] - [ 0.0003106700000000, -0.0005747200000000, 0.0020460800000000 ] - [ 0.0339218500000000, 0.0167879300000000, -0.0302894000000000 ] - [ 0.0044922400000000, -0.0048146900000000, 0.0023212500000000 ] - [ 0.0026610700000000, 0.0026164200000000, -0.0033195900000000 ] - [ 0.0018013700000000, -0.0044414800000000, 0.0048172100000000 ] - [ 0.0302433200000000, 0.0202305800000000, 0.0132506200000000 ] - [ 0.0107779800000000, 0.0037958700000000, -0.0031232100000000 ] - [ 0.0047930600000000, 0.0026377500000000, 0.0032425300000000 ] - [ 0.0058891500000000, -0.0005709400000000, -0.0033892600000000 ] - [ -0.0046109800000000, -0.0074631000000000, -0.0019898700000000 ] - [ -0.0022865000000000, 0.0101378700000000, 0.0067792400000000 ] - [ 0.0005157700000000, -0.0007584100000000, -0.0006867800000000 ] - [ 0.0007789600000000, -0.0002271300000000, -0.0007285000000000 ] - [ 0.0103895500000000, 0.0073055300000000, 0.0088986300000000 ] - [ 0.0026129300000000, -0.0020750700000000, 0.0026978100000000 ] - [ 0.0110851500000000, 0.0070738600000000, -0.0043961000000000 ] - [ 0.0002951500000000, -0.0008954200000000, -0.0010019400000000 ] - [ -0.0069245300000000, -0.0036298100000000, -0.0021231200000000 ] - [ -0.0097118100000000, -0.0008825300000000, -0.0037484300000000 ] - [ -0.0010534700000000, -0.0010949300000000, 0.0004551200000000 ] - [ 0.0000249000000000, 0.0001061000000000, 0.0008940800000000 ] - [ 0.1496152800000000, -0.0653304700000000, 0.0246117000000000 ] - [ 0.0067163200000000, -0.0046376900000000, 0.0004908800000000 ] - [ 0.0035440000000000, -0.0007390900000000, 0.0012153200000000 ] - [ 0.0043402000000000, -0.0024280200000000, 0.0008346900000000 ] - [ 0.0034387800000000, -0.0018879000000000, -0.0042306800000000 ] - [ 0.0085780100000000, 0.0020003900000000, -0.0066589200000000 ] - [ 0.0027930700000000, -0.0004502300000000, 0.0012736500000000 ] - [ 0.0068908400000000, 0.0081346700000000, 0.0082361600000000 ] - [ -0.0014081400000000, 0.0006640700000000, -0.0011330500000000 ] - [ -0.0007400600000000, 0.0002417400000000, -0.0006632100000000 ] - [ -0.0091270400000000, 0.0030122500000000, 0.0016439700000000 ] - [ -0.0012926400000000, 0.0005522800000000, 0.0010003900000000 ] - [ 0.0050066100000000, -0.0001425100000000, -0.0037387900000000 ] - [ 0.0063906600000000, -0.0048766200000000, 0.0014980600000000 ] - [ 0.0285658400000000, -0.0062715400000000, -0.0040881000000000 ] - [ 0.0075255400000000, -0.0053430400000000, 0.0029506400000000 ] - [ 0.0039089300000000, 0.0107290700000000, -0.0033092300000000 ] - [ 0.0042822700000000, -0.0058679500000000, 0.0023673100000000 ] - [ 0.0038370200000000, -0.0004824000000000, -0.0008417100000000 ] - [ 0.0038295700000000, -0.0022125100000000, -0.0001610100000000 ] - [ 0.0020141300000000, -0.0031693300000000, -0.0027111700000000 ] - [ 0.0016693800000000, 0.0021099200000000, 0.0044611500000000 ] - [ 0.0055274200000000, 0.0008943500000000, -0.0017932000000000 ] - [ 0.0199154100000000, -0.0051921700000000, -0.0070637100000000 ] - [ -0.0020706300000000, 0.0000301800000000, 0.0013152600000000 ] - [ -0.0015575800000000, -0.0009429800000000, 0.0011286700000000 ] - [ -0.0004243800000000, 0.0020786300000000, -0.0024578700000000 ] - [ -0.0023737300000000, -0.0000923500000000, -0.0012402700000000 ] - [ -0.0022128700000000, -0.0007917600000000, 0.0007554700000000 ] - [ -0.0018999500000000, -0.0004858400000000, 0.0006081400000000 ] - [ -0.0018287700000000, -0.0004507500000000, 0.0005878800000000 ] - [ -0.0017596300000000, -0.0004047600000000, 0.0005821400000000 ] - [ -0.0034107600000000, -0.0013791400000000, 0.0000587800000000 ] - [ -0.0028311300000000, -0.0009259800000000, 0.0001203900000000 ] - [ -0.0033491900000000, -0.0012081500000000, -0.0005741200000000 ] - [ -0.0021326500000000, -0.0006009500000000, -0.0003048100000000 ] - [ -0.0016266300000000, -0.0014409800000000, -0.0011724000000000 ] - [ -0.0026818600000000, 0.0010680700000000, -0.0003827200000000 ] - [ -0.0007320800000000, -0.0010714800000000, -0.0011515100000000 ] - [ -0.0006588300000000, 0.0000157200000000, -0.0001194200000000 ] - [ -0.0051197400000000, -0.0011252600000000, -0.0015701000000000 ] - [ -0.0043291600000000, -0.0011726300000000, -0.0009778400000000 ] - [ -0.0044442200000000, -0.0014795000000000, -0.0004403800000000 ] - [ -0.0040474700000000, -0.0014735200000000, -0.0004714500000000 ] - [ -0.0079465400000000, -0.0039218500000000, 0.0025675400000000 ] - [ -0.0040024000000000, -0.0031763000000000, 0.0015768400000000 ] - [ -0.0051518800000000, 0.0024155300000000, -0.0054711200000000 ] - [ -0.0012493100000000, -0.0005779500000000, -0.0004247100000000 ] - [ -0.0046076700000000, 0.0014376900000000, -0.0005398100000000 ] - [ -0.0053954200000000, 0.0022288100000000, -0.0005046600000000 ] - [ -0.0038508200000000, 0.0007214400000000, -0.0012159700000000 ] - [ -0.0042021200000000, 0.0006640800000000, -0.0014793100000000 ] - [ -0.0038654300000000, -0.0009428400000000, 0.0006293300000000 ] - [ -0.0033687200000000, -0.0009200100000000, 0.0003225200000000 ] - [ -0.0037922800000000, -0.0018468400000000, -0.0008131700000000 ] - [ -0.0030859800000000, -0.0015283600000000, -0.0006703900000000 ] - [ -0.0012556500000000, 0.0013933700000000, 0.0006443200000000 ] - [ -0.0016279500000000, 0.0004380700000000, -0.0001350600000000 ] - [ -0.0095288200000000, 0.0040007100000000, -0.0026599200000000 ] - [ -0.0024307000000000, -0.0008974800000000, -0.0016618400000000 ] - [ -0.0022721700000000, 0.0008960500000000, -0.0001262500000000 ] - [ -0.0024027100000000, 0.0007941700000000, -0.0002168400000000 ] - [ -0.0039519200000000, 0.0015676900000000, -0.0002329500000000 ] - [ -0.0029478900000000, 0.0007695600000000, -0.0001357400000000 ] - [ -0.0041185100000000, 0.0015129900000000, -0.0001007100000000 ] - [ -0.0036693400000000, 0.0015020100000000, -0.0001675500000000 ] - [ -0.0035457400000000, 0.0018246300000000, -0.0008227300000000 ] - [ -0.0028823700000000, 0.0009016600000000, -0.0000829700000000 ] - [ -0.0017831900000000, 0.0003293200000000, 0.0003385300000000 ] - [ -0.0018221200000000, 0.0005253300000000, 0.0004876900000000 ] - [ -0.0021735600000000, 0.0004808500000000, 0.0008221900000000 ] - [ -0.0020597600000000, 0.0008026500000000, 0.0008623700000000 ]- atom: 1 displacement: [ -0.0099999998410115, 0.0000000000000000, 0.0000017831910382 ] forces: - [ 0.3235390000000000, -0.0093170500000000, 0.0030650700000000 ] - [ 0.0143681400000000, -0.0028015700000000, 0.0051370500000000 ] - [ 0.0119324800000000, 0.0062165800000000, -0.0001027100000000 ] - [ 0.0065862000000000, -0.0044586300000000, 0.0006984400000000 ] - [ 0.0279182300000000, -0.0074363800000000, -0.0152257200000000 ] - [ 0.0220628200000000, -0.0148284800000000, 0.0112888100000000 ] - [ 0.0280046300000000, -0.0134818900000000, 0.0100962900000000 ] - [ 0.0220273600000000, -0.0112301000000000, -0.0161350200000000 ] - [ -0.0200760500000000, -0.0239390600000000, -0.0114462700000000 ] - [ -0.0201485500000000, 0.0475099200000000, -0.0334497400000000 ] - [ 0.0033949600000000, -0.0053162000000000, 0.0048604200000000 ] - [ 0.0033868900000000, 0.0019521800000000, 0.0041629000000000 ] - [ 0.0018851000000000, 0.0023267000000000, -0.0098124900000000 ] - [ 0.0043961400000000, 0.0008150900000000, -0.0061607700000000 ] - [ -0.0344641800000000, -0.0094124600000000, 0.0489185900000000 ] - [ 0.0052812600000000, 0.0024754500000000, 0.0079433200000000 ] - [ -0.0076467700000000, 0.0003919800000000, -0.0005978900000000 ] - [ -0.0076473700000000, 0.0007686000000000, -0.0011279400000000 ] - [ -0.0060728000000000, 0.0007764900000000, -0.0013049700000000 ] - [ -0.0060738200000000, 0.0001337300000000, -0.0016188500000000 ] - [ -0.0071629300000000, -0.0009263900000000, -0.0012726700000000 ] - [ -0.0063849100000000, -0.0003662700000000, -0.0009206300000000 ] - [ -0.0071628600000000, -0.0008217200000000, -0.0008806400000000 ] - [ -0.0063839300000000, 0.0001259300000000, -0.0013109400000000 ] - [ -0.0110994400000000, -0.0027394600000000, 0.0000330900000000 ] - [ -0.0081350300000000, 0.0010097500000000, 0.0008251100000000 ] - [ -0.0082523000000000, -0.0006281000000000, -0.0033400000000000 ] - [ -0.0045393200000000, 0.0008268000000000, -0.0015679700000000 ] - [ -0.0052949100000000, 0.0002835400000000, 0.0012929300000000 ] - [ -0.0055383700000000, -0.0009950900000000, 0.0006449300000000 ] - [ -0.0106496600000000, 0.0027911400000000, -0.0035949200000000 ] - [ -0.0073067100000000, -0.0019178600000000, -0.0011797900000000 ] - [ -0.0035050700000000, -0.0006530300000000, -0.0020273300000000 ] - [ -0.0041766200000000, -0.0001711600000000, -0.0030750000000000 ] - [ -0.0037152600000000, -0.0011981900000000, 0.0003657700000000 ] - [ -0.0046792500000000, 0.0016507100000000, 0.0018446500000000 ] - [ -0.0080166600000000, -0.0008221700000000, -0.0013569700000000 ] - [ -0.0046213000000000, 0.0000082800000000, 0.0000661100000000 ] - [ -0.0025821700000000, 0.0002810700000000, -0.0004013600000000 ] - [ -0.0022672000000000, 0.0002134800000000, -0.0003452300000000 ] - [ -0.0011826900000000, 0.0002225200000000, 0.0058029500000000 ] - [ 0.0013846600000000, 0.0006082500000000, 0.0022196100000000 ] - [ -0.0209206700000000, -0.0007210100000000, -0.0314565800000000 ] - [ 0.0010361300000000, -0.0004996100000000, -0.0006624500000000 ] - [ -0.0241021500000000, 0.0238265100000000, 0.0133822500000000 ] - [ -0.0046880100000000, -0.0104607700000000, 0.0003939500000000 ] - [ 0.0019058800000000, 0.0016054100000000, -0.0009646800000000 ] - [ 0.0005592900000000, -0.0021287500000000, -0.0014864800000000 ] - [ 0.0023140700000000, -0.0016945000000000, 0.0064312900000000 ] - [ -0.0001746200000000, -0.0090091900000000, 0.0098574300000000 ] - [ 0.0015682800000000, 0.0091610000000000, -0.0112276800000000 ] - [ -0.0001625200000000, 0.0010948600000000, -0.0027662600000000 ] - [ -0.0345731900000000, -0.0176208000000000, 0.0312869300000000 ] - [ -0.0051548600000000, 0.0036617600000000, -0.0008164200000000 ] - [ -0.0033409500000000, -0.0037699800000000, 0.0048550400000000 ] - [ -0.0024799300000000, 0.0033544400000000, -0.0033488400000000 ] - [ -0.0289544300000000, -0.0201580400000000, -0.0137847100000000 ] - [ -0.0098963800000000, -0.0030451900000000, 0.0031733300000000 ] - [ -0.0038440400000000, -0.0019197900000000, -0.0032905100000000 ] - [ -0.0049405400000000, 0.0013074000000000, 0.0033861600000000 ] - [ 0.0048012400000000, 0.0070544600000000, 0.0013184600000000 ] - [ 0.0024516300000000, -0.0107178000000000, -0.0075116600000000 ] - [ -0.0003686600000000, 0.0002334400000000, -0.0000344700000000 ] - [ -0.0006328300000000, -0.0002933200000000, 0.0000193100000000 ] - [ -0.0110370700000000, -0.0069396100000000, -0.0089913600000000 ] - [ -0.0031550600000000, 0.0024511700000000, -0.0028769900000000 ] - [ -0.0117719800000000, -0.0067785700000000, 0.0041868600000000 ] - [ -0.0008760700000000, 0.0012389200000000, 0.0008311600000000 ] - [ 0.0072127000000000, 0.0035514000000000, 0.0023610100000000 ] - [ 0.0099988100000000, 0.0007597400000000, 0.0039870100000000 ] - [ 0.0012934500000000, 0.0009979400000000, -0.0002513100000000 ] - [ 0.0002076200000000, -0.0002184300000000, -0.0006925400000000 ] - [ -0.1411345700000000, 0.0600053700000000, -0.0225845900000000 ] - [ -0.0073432200000000, 0.0043302000000000, -0.0006907900000000 ] - [ -0.0041777400000000, 0.0004138400000000, -0.0014104200000000 ] - [ -0.0049856600000000, 0.0021267200000000, -0.0010280200000000 ] - [ -0.0037368700000000, 0.0019224800000000, 0.0041522700000000 ] - [ -0.0089856900000000, -0.0020261500000000, 0.0065906100000000 ] - [ -0.0030796000000000, 0.0004842000000000, -0.0013938000000000 ] - [ -0.0072456300000000, -0.0082020400000000, -0.0084208200000000 ] - [ 0.0016379900000000, -0.0005564000000000, 0.0013480800000000 ] - [ 0.0009644600000000, -0.0001269800000000, 0.0008749900000000 ] - [ 0.0094300500000000, -0.0029357000000000, -0.0014434900000000 ] - [ 0.0015290400000000, -0.0004397800000000, -0.0007968700000000 ] - [ -0.0040587500000000, -0.0005923600000000, 0.0037150400000000 ] - [ -0.0054603000000000, 0.0041995200000000, -0.0015499000000000 ] - [ -0.0273873300000000, 0.0054513800000000, 0.0042220300000000 ] - [ -0.0066041200000000, 0.0046721400000000, -0.0029895700000000 ] - [ -0.0063766500000000, -0.0096120600000000, 0.0033261200000000 ] - [ -0.0045878600000000, 0.0058885700000000, -0.0024846300000000 ] - [ -0.0041391800000000, 0.0004757100000000, 0.0007277800000000 ] - [ -0.0041305200000000, 0.0022287800000000, 0.0000367700000000 ] - [ -0.0026819800000000, 0.0042645400000000, 0.0041854400000000 ] - [ -0.0023430300000000, -0.0010386100000000, -0.0030758900000000 ] - [ -0.0062058200000000, 0.0002493200000000, 0.0032915400000000 ] - [ -0.0205378900000000, 0.0061659600000000, 0.0085644900000000 ] - [ 0.0022422700000000, 0.0004862000000000, -0.0020205900000000 ] - [ 0.0017209100000000, 0.0014610600000000, -0.0018301700000000 ] - [ 0.0005869000000000, -0.0015650200000000, 0.0017565100000000 ] - [ 0.0025468400000000, 0.0006157500000000, 0.0005288600000000 ] - [ 0.0015589100000000, -0.0003250500000000, 0.0007448100000000 ] - [ 0.0012419200000000, -0.0006353400000000, 0.0008950000000000 ] - [ 0.0011720200000000, -0.0006650400000000, 0.0009079400000000 ] - [ 0.0011034600000000, -0.0007123700000000, 0.0009134400000000 ] - [ 0.0044272000000000, 0.0021322800000000, -0.0000694000000000 ] - [ 0.0038437700000000, 0.0016755300000000, -0.0001326300000000 ] - [ 0.0043728500000000, 0.0019605600000000, 0.0005624400000000 ] - [ 0.0031470800000000, 0.0013502200000000, 0.0002899900000000 ] - [ 0.0017857500000000, 0.0009258300000000, 0.0004645000000000 ] - [ 0.0028456300000000, -0.0015901300000000, -0.0003255600000000 ] - [ 0.0008996600000000, 0.0005569600000000, 0.0004485700000000 ] - [ 0.0008219000000000, -0.0005349400000000, -0.0005870500000000 ] - [ 0.0045189600000000, 0.0014435300000000, 0.0013930800000000 ] - [ 0.0037207900000000, 0.0014924600000000, 0.0007938600000000 ] - [ 0.0038333700000000, 0.0018017500000000, 0.0002479200000000 ] - [ 0.0034352900000000, 0.0017973900000000, 0.0002788800000000 ] - [ 0.0082134600000000, 0.0038344300000000, -0.0023493800000000 ] - [ 0.0042472500000000, 0.0030511200000000, -0.0013573500000000 ] - [ 0.0054261300000000, -0.0025314400000000, 0.0057060900000000 ] - [ 0.0015067100000000, 0.0004804200000000, 0.0006375000000000 ] - [ 0.0040009000000000, -0.0017586300000000, 0.0003520200000000 ] - [ 0.0047978900000000, -0.0025618700000000, 0.0003155100000000 ] - [ 0.0032354900000000, -0.0010365700000000, 0.0010304300000000 ] - [ 0.0035907000000000, -0.0009801100000000, 0.0012969700000000 ] - [ 0.0036240300000000, 0.0009646800000000, -0.0007376100000000 ] - [ 0.0031243200000000, 0.0009424300000000, -0.0004309800000000 ] - [ 0.0035517000000000, 0.0018689500000000, 0.0007018900000000 ] - [ 0.0028390000000000, 0.0015464500000000, 0.0005561700000000 ] - [ 0.0015195600000000, -0.0013099900000000, -0.0004312800000000 ] - [ 0.0018928200000000, -0.0003368700000000, 0.0003532000000000 ] - [ 0.0098246000000000, -0.0039182800000000, 0.0028756200000000 ] - [ 0.0026675800000000, 0.0009992200000000, 0.0018580400000000 ] - [ 0.0032853000000000, -0.0016463600000000, 0.0001138500000000 ] - [ 0.0034192900000000, -0.0015463600000000, 0.0002060500000000 ] - [ 0.0049696300000000, -0.0023186800000000, 0.0002175800000000 ] - [ 0.0039618600000000, -0.0015181600000000, 0.0001195500000000 ] - [ 0.0038767900000000, -0.0015342500000000, -0.0000108100000000 ] - [ 0.0034244000000000, -0.0015199500000000, 0.0000543700000000 ] - [ 0.0033076900000000, -0.0018533600000000, 0.0007194600000000 ] - [ 0.0026370200000000, -0.0009213300000000, -0.0000270600000000 ] - [ 0.0011258200000000, 0.0007921600000000, 0.0011645700000000 ] - [ 0.0011650500000000, 0.0005934300000000, 0.0010138100000000 ] - [ 0.0015187500000000, 0.0006371900000000, 0.0006748100000000 ] - [ 0.0014047600000000, 0.0003114500000000, 0.0006327600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0116390000000000, -0.2888163100000000, 0.0350347200000000 ] - [ 0.0035954500000000, 0.0342857200000000, -0.0032123200000000 ] - [ -0.0053455900000000, -0.0178810300000000, 0.0029083600000000 ] - [ 0.0052591800000000, 0.0160678900000000, 0.0008176000000000 ] - [ -0.0126086700000000, 0.0268914200000000, 0.0461094600000000 ] - [ -0.0102817600000000, 0.0375859300000000, -0.0408610200000000 ] - [ -0.0066319600000000, 0.0269166600000000, -0.0308491400000000 ] - [ -0.0138094200000000, 0.0377753800000000, 0.0582549400000000 ] - [ 0.0469544600000000, 0.0219885600000000, 0.0065909200000000 ] - [ -0.0241715000000000, 0.0220546300000000, -0.0149871200000000 ] - [ 0.0016824700000000, 0.0006351000000000, -0.0016117600000000 ] - [ -0.0055388000000000, 0.0006320100000000, 0.0020704800000000 ] - [ -0.0025636100000000, -0.0149399200000000, 0.0021812100000000 ] - [ -0.0010774700000000, 0.0113869300000000, 0.0008090200000000 ] - [ 0.0091491400000000, -0.0377633300000000, 0.0118956600000000 ] - [ -0.0027529200000000, 0.0139651700000000, -0.0007590300000000 ] - [ 0.0000326500000000, 0.0003983500000000, -0.0001015800000000 ] - [ 0.0004083400000000, 0.0003969200000000, -0.0006580300000000 ] - [ 0.0006663100000000, 0.0004795600000000, 0.0000417900000000 ] - [ 0.0000275300000000, 0.0004761700000000, -0.0005540500000000 ] - [ -0.0000190900000000, -0.0011624300000000, -0.0002345500000000 ] - [ 0.0009252700000000, 0.0003209400000000, -0.0000536500000000 ] - [ -0.0001248700000000, -0.0011630400000000, -0.0003163900000000 ] - [ 0.0004360500000000, 0.0003222800000000, -0.0007054500000000 ] - [ -0.0030100900000000, -0.0036031100000000, -0.0005990800000000 ] - [ 0.0007387800000000, 0.0026680900000000, 0.0010061900000000 ] - [ -0.0008977900000000, -0.0014509400000000, -0.0007829100000000 ] - [ 0.0005651300000000, 0.0014646800000000, -0.0000223900000000 ] - [ -0.0005493000000000, 0.0006388400000000, 0.0004279900000000 ] - [ 0.0007312800000000, -0.0004329100000000, 0.0004281100000000 ] - [ -0.0030541800000000, 0.0017013700000000, -0.0016600700000000 ] - [ 0.0016524900000000, -0.0013615900000000, 0.0007538400000000 ] - [ 0.0015132100000000, 0.0005217500000000, 0.0020331600000000 ] - [ -0.0014036800000000, -0.0004807700000000, -0.0014638400000000 ] - [ 0.0003371600000000, 0.0003250300000000, -0.0001417500000000 ] - [ -0.0007752300000000, 0.0000047700000000, -0.0003324000000000 ] - [ -0.0011423700000000, -0.0024337100000000, 0.0008010900000000 ] - [ 0.0009164500000000, 0.0025015400000000, -0.0015431200000000 ] - [ -0.0002123200000000, -0.0007925400000000, 0.0002060400000000 ] - [ -0.0001539800000000, 0.0006691100000000, -0.0000523300000000 ] - [ 0.0011724200000000, -0.0077132400000000, 0.0021498100000000 ] - [ 0.0021296500000000, 0.0047505600000000, -0.0010790700000000 ] - [ -0.0061270100000000, -0.0126742100000000, -0.0121335600000000 ] - [ 0.0028382000000000, 0.0062497000000000, -0.0017078400000000 ] - [ -0.0197067700000000, 0.0133002800000000, 0.0056574100000000 ] - [ 0.0132118900000000, 0.0074938100000000, 0.0015865700000000 ] - [ -0.0013127800000000, -0.0003479300000000, -0.0022816300000000 ] - [ 0.0036184900000000, -0.0002161800000000, 0.0029225400000000 ] - [ -0.0048912300000000, 0.0076913200000000, -0.0095442000000000 ] - [ 0.0013611300000000, -0.0062739700000000, 0.0055925600000000 ] - [ -0.0014024100000000, 0.0036970400000000, -0.0016306300000000 ] - [ 0.0007839900000000, -0.0017020400000000, 0.0005092700000000 ] - [ 0.0306920400000000, 0.0590299400000000, -0.0744629600000000 ] - [ 0.0006315400000000, -0.0148394700000000, 0.0061096200000000 ] - [ 0.0000559300000000, 0.0097150600000000, -0.0121427600000000 ] - [ -0.0005471200000000, -0.0083186500000000, 0.0074987300000000 ] - [ 0.0130562300000000, 0.0401126500000000, 0.0134304200000000 ] - [ 0.0013505900000000, -0.0120841500000000, -0.0026026600000000 ] - [ 0.0006216100000000, 0.0035589400000000, 0.0060273900000000 ] - [ 0.0038013100000000, -0.0061298700000000, -0.0095239000000000 ] - [ -0.0055470200000000, 0.0069560300000000, 0.0041965700000000 ] - [ 0.0024506900000000, -0.0071535300000000, -0.0043269500000000 ] - [ -0.0000807700000000, 0.0008346900000000, 0.0001480400000000 ] - [ 0.0009971000000000, -0.0023842400000000, -0.0021603800000000 ] - [ 0.0055767000000000, 0.0022448500000000, -0.0065160500000000 ] - [ -0.0092909800000000, -0.0088958100000000, 0.0016443700000000 ] - [ 0.0047110600000000, 0.0005622200000000, 0.0055846800000000 ] - [ -0.0133072300000000, -0.0081102400000000, -0.0051237200000000 ] - [ -0.0106701000000000, -0.0053624300000000, -0.0032358100000000 ] - [ 0.0072051500000000, 0.0017429400000000, 0.0020883700000000 ] - [ -0.0005378800000000, -0.0004895600000000, 0.0001265600000000 ] - [ 0.0020347600000000, 0.0006502200000000, 0.0001523300000000 ] - [ -0.0523407300000000, 0.0427693300000000, -0.0096123400000000 ] - [ 0.0012344300000000, -0.0068598800000000, 0.0010044700000000 ] - [ -0.0024064100000000, 0.0030359200000000, -0.0004748000000000 ] - [ 0.0002067800000000, -0.0025534800000000, -0.0008296200000000 ] - [ -0.0052285600000000, -0.0095206400000000, -0.0072286300000000 ] - [ 0.0087087900000000, 0.0042638000000000, 0.0070572500000000 ] - [ -0.0035961100000000, -0.0048754500000000, 0.0008333500000000 ] - [ 0.0078345600000000, 0.0058017900000000, -0.0034461800000000 ] - [ -0.0002905000000000, 0.0016570200000000, 0.0001192900000000 ] - [ 0.0011960000000000, -0.0014430300000000, -0.0000553900000000 ] - [ -0.0018981500000000, 0.0033070300000000, -0.0022454200000000 ] - [ 0.0017684500000000, -0.0018087800000000, 0.0008107300000000 ] - [ -0.0003406900000000, 0.0072046300000000, -0.0094102800000000 ] - [ 0.0049677600000000, -0.0096828000000000, 0.0059011100000000 ] - [ -0.0065125900000000, 0.0048341100000000, 0.0110124700000000 ] - [ 0.0059730400000000, -0.0148654900000000, 0.0054793300000000 ] - [ 0.0022006800000000, 0.0103633700000000, -0.0026559000000000 ] - [ -0.0007143500000000, -0.0103659200000000, 0.0046119500000000 ] - [ 0.0013630700000000, 0.0020607700000000, -0.0013319300000000 ] - [ -0.0005322400000000, -0.0021082600000000, 0.0005858800000000 ] - [ 0.0011043600000000, -0.0113180600000000, -0.0115652400000000 ] - [ -0.0010294500000000, 0.0065858100000000, 0.0111926800000000 ] - [ -0.0000029300000000, -0.0112397800000000, -0.0013153700000000 ] - [ 0.0205660100000000, 0.0388794700000000, 0.0099741300000000 ] - [ 0.0003795700000000, -0.0006804000000000, -0.0006186800000000 ] - [ -0.0002623000000000, 0.0013441100000000, -0.0008907700000000 ] - [ -0.0002553900000000, -0.0010001900000000, 0.0007253900000000 ] - [ 0.0004181500000000, 0.0010786000000000, -0.0007107100000000 ] - [ -0.0002539500000000, -0.0003410400000000, 0.0006396700000000 ] - [ -0.0004153300000000, -0.0007544900000000, 0.0008100100000000 ] - [ -0.0002209900000000, -0.0003894800000000, 0.0006403900000000 ] - [ -0.0003589600000000, -0.0007619100000000, 0.0009226500000000 ] - [ 0.0010199700000000, 0.0008523300000000, -0.0000766100000000 ] - [ 0.0001669500000000, -0.0000072200000000, -0.0000512200000000 ] - [ 0.0008188400000000, 0.0006875000000000, 0.0001495600000000 ] - [ 0.0001654400000000, 0.0000062200000000, -0.0000507200000000 ] - [ -0.0008461900000000, 0.0012088100000000, 0.0004563900000000 ] - [ 0.0012295000000000, -0.0015371100000000, -0.0006304400000000 ] - [ -0.0003619500000000, 0.0002608200000000, 0.0000081500000000 ] - [ 0.0001250900000000, -0.0007095500000000, -0.0005245200000000 ] - [ 0.0003285500000000, 0.0008322400000000, -0.0001812000000000 ] - [ -0.0013431700000000, -0.0006630900000000, -0.0001466900000000 ] - [ 0.0000966100000000, 0.0004336800000000, -0.0000940200000000 ] - [ -0.0003128500000000, -0.0000512300000000, 0.0000132000000000 ] - [ 0.0047563600000000, 0.0036450100000000, -0.0017918200000000 ] - [ -0.0028785700000000, -0.0040999100000000, 0.0008900100000000 ] - [ 0.0012519800000000, 0.0002735900000000, 0.0007277200000000 ] - [ -0.0015278500000000, -0.0013735200000000, -0.0000386500000000 ] - [ -0.0003277500000000, -0.0002306100000000, -0.0000271700000000 ] - [ -0.0002648800000000, 0.0000321200000000, 0.0000565300000000 ] - [ -0.0007055200000000, -0.0006129300000000, -0.0007699400000000 ] - [ 0.0001821900000000, 0.0001090900000000, 0.0003609700000000 ] - [ 0.0002877100000000, 0.0000567500000000, -0.0003687900000000 ] - [ -0.0004685600000000, -0.0003347000000000, -0.0002061100000000 ] - [ 0.0003534200000000, 0.0005803900000000, 0.0004043500000000 ] - [ -0.0005577900000000, -0.0004383800000000, -0.0002762900000000 ] - [ -0.0000587000000000, 0.0015122300000000, 0.0006505800000000 ] - [ -0.0007431900000000, -0.0004113400000000, -0.0006082000000000 ] - [ 0.0040975200000000, 0.0005007700000000, 0.0032524200000000 ] - [ -0.0023578900000000, -0.0003627100000000, -0.0016613300000000 ] - [ 0.0005296700000000, -0.0004166500000000, 0.0000048200000000 ] - [ 0.0002680000000000, -0.0001746300000000, -0.0001304100000000 ] - [ 0.0014341700000000, -0.0009048200000000, 0.0001661300000000 ] - [ 0.0000169400000000, -0.0001103100000000, -0.0000528500000000 ] - [ 0.0004061100000000, -0.0000961200000000, -0.0001009000000000 ] - [ -0.0004409000000000, 0.0000524700000000, -0.0000163600000000 ] - [ -0.0001133300000000, -0.0000498700000000, -0.0000367400000000 ] - [ -0.0002105200000000, 0.0000091800000000, -0.0000480700000000 ] - [ -0.0004983400000000, 0.0007308000000000, 0.0007441300000000 ] - [ -0.0001394900000000, 0.0002741300000000, 0.0005607500000000 ] - [ -0.0002318600000000, 0.0007724000000000, 0.0008947600000000 ] - [ -0.0003926600000000, 0.0004496000000000, 0.0007973300000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0125737000000000, 0.2890881200000000, -0.0328100700000000 ] - [ -0.0028474600000000, -0.0334356000000000, 0.0025352900000000 ] - [ 0.0061104100000000, 0.0187970500000000, -0.0034567400000000 ] - [ -0.0045044000000000, -0.0151982700000000, -0.0014246300000000 ] - [ 0.0133241800000000, -0.0278047100000000, -0.0468840200000000 ] - [ 0.0111070200000000, -0.0386708100000000, 0.0402903200000000 ] - [ 0.0074020500000000, -0.0277776600000000, 0.0304382100000000 ] - [ 0.0145061400000000, -0.0384809800000000, -0.0585054600000000 ] - [ -0.0478098500000000, -0.0222744000000000, -0.0067630500000000 ] - [ 0.0232780700000000, -0.0222079600000000, 0.0147889900000000 ] - [ -0.0024385700000000, -0.0008739900000000, 0.0015677400000000 ] - [ 0.0047816500000000, -0.0008768200000000, -0.0021089800000000 ] - [ 0.0018204400000000, 0.0151891800000000, -0.0022585000000000 ] - [ 0.0003273200000000, -0.0111350300000000, -0.0008915800000000 ] - [ -0.0098782200000000, 0.0379655400000000, -0.0119368000000000 ] - [ 0.0019644900000000, -0.0137097700000000, 0.0007130300000000 ] - [ 0.0006835600000000, 0.0004832900000000, -0.0005256500000000 ] - [ 0.0003122200000000, 0.0004819900000000, 0.0000287100000000 ] - [ 0.0000563800000000, 0.0004035400000000, -0.0006676500000000 ] - [ 0.0006973400000000, 0.0004001900000000, -0.0000727200000000 ] - [ 0.0007392300000000, 0.0002809600000000, -0.0003943200000000 ] - [ -0.0002047500000000, -0.0012015200000000, -0.0005749800000000 ] - [ 0.0008441700000000, 0.0002802800000000, -0.0003084200000000 ] - [ 0.0002879800000000, -0.0012001900000000, 0.0000779200000000 ] - [ 0.0022197300000000, 0.0033406500000000, 0.0005256900000000 ] - [ -0.0015080300000000, -0.0028936500000000, -0.0010715400000000 ] - [ 0.0001180200000000, 0.0012054600000000, 0.0007091900000000 ] - [ -0.0013266400000000, -0.0016995800000000, -0.0000413600000000 ] - [ -0.0002234400000000, -0.0003939300000000, -0.0004889200000000 ] - [ -0.0014995000000000, 0.0006710600000000, -0.0004950100000000 ] - [ 0.0022785700000000, -0.0014554500000000, 0.0015810500000000 ] - [ -0.0024103200000000, 0.0015883300000000, -0.0008147900000000 ] - [ -0.0013295000000000, -0.0005195900000000, -0.0020338200000000 ] - [ 0.0015868100000000, 0.0004736000000000, 0.0014619200000000 ] - [ -0.0001589700000000, -0.0003286700000000, 0.0001486600000000 ] - [ 0.0009530500000000, -0.0000031600000000, 0.0003395700000000 ] - [ 0.0013178000000000, 0.0024358400000000, -0.0008024100000000 ] - [ -0.0007400400000000, -0.0024999700000000, 0.0015457500000000 ] - [ 0.0003977100000000, 0.0007915000000000, -0.0001979000000000 ] - [ 0.0003373800000000, -0.0006667400000000, 0.0000571800000000 ] - [ -0.0009987300000000, 0.0077394300000000, -0.0021254400000000 ] - [ -0.0019452800000000, -0.0047481200000000, 0.0010931300000000 ] - [ 0.0062404900000000, 0.0126863700000000, 0.0120429900000000 ] - [ -0.0026228700000000, -0.0062455800000000, 0.0017188300000000 ] - [ 0.0199223200000000, -0.0132829300000000, -0.0056452200000000 ] - [ -0.0129993300000000, -0.0074975600000000, -0.0016136000000000 ] - [ 0.0015091100000000, 0.0003577400000000, 0.0022852900000000 ] - [ -0.0034256700000000, 0.0002062800000000, -0.0029113300000000 ] - [ 0.0050482800000000, -0.0071652600000000, 0.0088436300000000 ] - [ -0.0012030300000000, 0.0067653900000000, -0.0062674300000000 ] - [ 0.0015599400000000, -0.0031700300000000, 0.0009100800000000 ] - [ -0.0006241400000000, 0.0022242900000000, -0.0012271700000000 ] - [ -0.0301752200000000, -0.0587663000000000, 0.0725646300000000 ] - [ -0.0013148000000000, 0.0137067900000000, -0.0045657800000000 ] - [ -0.0007275600000000, -0.0108093900000000, 0.0135783800000000 ] - [ -0.0001249900000000, 0.0072016300000000, -0.0060164200000000 ] - [ -0.0137427100000000, -0.0422724900000000, -0.0158979900000000 ] - [ -0.0003758500000000, 0.0128602500000000, 0.0026767200000000 ] - [ 0.0003658100000000, -0.0028294600000000, -0.0060659300000000 ] - [ -0.0028029200000000, 0.0068716700000000, 0.0095065400000000 ] - [ 0.0057289700000000, -0.0074513700000000, -0.0048967400000000 ] - [ -0.0022818200000000, 0.0066188200000000, 0.0036226000000000 ] - [ 0.0002358700000000, -0.0013596400000000, -0.0008619000000000 ] - [ -0.0008434400000000, 0.0018623600000000, 0.0014491700000000 ] - [ -0.0062502700000000, -0.0019251700000000, 0.0063635700000000 ] - [ 0.0086996100000000, 0.0092427100000000, -0.0018277600000000 ] - [ -0.0053854700000000, -0.0002869900000000, -0.0057659700000000 ] - [ 0.0126635400000000, 0.0084263100000000, 0.0049228500000000 ] - [ 0.0109195500000000, 0.0052623800000000, 0.0034472800000000 ] - [ -0.0069425300000000, -0.0018379400000000, -0.0018652400000000 ] - [ 0.0007785000000000, 0.0003833800000000, 0.0000836600000000 ] - [ -0.0017844500000000, -0.0007509800000000, 0.0000587300000000 ] - [ 0.0533038300000000, -0.0432734600000000, 0.0097076000000000 ] - [ -0.0019078700000000, 0.0065477600000000, -0.0011860700000000 ] - [ 0.0017668800000000, -0.0033529500000000, 0.0002777600000000 ] - [ -0.0008460200000000, 0.0022419700000000, 0.0006300400000000 ] - [ 0.0049534700000000, 0.0095085900000000, 0.0071105500000000 ] - [ -0.0090113000000000, -0.0042548400000000, -0.0071428500000000 ] - [ 0.0033313100000000, 0.0048822700000000, -0.0009594800000000 ] - [ -0.0080913300000000, -0.0057863500000000, 0.0033026000000000 ] - [ 0.0005244700000000, -0.0015487200000000, 0.0000925400000000 ] - [ -0.0009569500000000, 0.0015492700000000, 0.0002697600000000 ] - [ 0.0021497800000000, -0.0032007100000000, 0.0024566200000000 ] - [ -0.0015097200000000, 0.0019067200000000, -0.0005981700000000 ] - [ 0.0013212300000000, -0.0079482700000000, 0.0093994000000000 ] - [ -0.0039749100000000, 0.0089398500000000, -0.0059166700000000 ] - [ 0.0074951800000000, -0.0057504400000000, -0.0108467100000000 ] - [ -0.0049625200000000, 0.0141077600000000, -0.0055245300000000 ] - [ -0.0026743200000000, -0.0103769500000000, 0.0025043700000000 ] - [ 0.0004819900000000, 0.0103569700000000, -0.0047156500000000 ] - [ -0.0016382100000000, -0.0020676000000000, 0.0012125000000000 ] - [ 0.0002610100000000, 0.0020976600000000, -0.0006968900000000 ] - [ -0.0017767100000000, 0.0124307600000000, 0.0130672400000000 ] - [ 0.0003587700000000, -0.0054909400000000, -0.0097926200000000 ] - [ -0.0006631700000000, 0.0124081700000000, 0.0027272300000000 ] - [ -0.0202242000000000, -0.0353076100000000, -0.0060428700000000 ] - [ -0.0002136300000000, 0.0011947800000000, -0.0000911600000000 ] - [ 0.0004222000000000, -0.0008203000000000, 0.0001808800000000 ] - [ 0.0004099500000000, 0.0015110300000000, -0.0014258500000000 ] - [ -0.0002523800000000, -0.0005546600000000, 0.0000003900000000 ] - [ -0.0004080400000000, -0.0007772400000000, 0.0008594300000000 ] - [ -0.0002473900000000, -0.0003643700000000, 0.0006908800000000 ] - [ -0.0004415600000000, -0.0007271700000000, 0.0008569900000000 ] - [ -0.0003031700000000, -0.0003555600000000, 0.0005741600000000 ] - [ -0.0000128900000000, -0.0001025200000000, 0.0000640900000000 ] - [ 0.0008359600000000, 0.0007525800000000, 0.0000373100000000 ] - [ 0.0001886700000000, 0.0000592000000000, -0.0001620400000000 ] - [ 0.0008355300000000, 0.0007382300000000, 0.0000362200000000 ] - [ 0.0009990300000000, -0.0017178800000000, -0.0011567400000000 ] - [ -0.0010648100000000, 0.0010159500000000, -0.0000716000000000 ] - [ 0.0005227700000000, -0.0007760300000000, -0.0007140000000000 ] - [ 0.0000331000000000, 0.0001874000000000, -0.0001848100000000 ] - [ -0.0009510800000000, -0.0005171400000000, -0.0000067700000000 ] - [ 0.0007220000000000, 0.0009784800000000, -0.0000405300000000 ] - [ -0.0007230400000000, -0.0001176900000000, -0.0000982100000000 ] - [ -0.0003131700000000, 0.0003662400000000, -0.0002050700000000 ] - [ -0.0044751400000000, -0.0037317600000000, 0.0019967800000000 ] - [ 0.0031170900000000, 0.0039808000000000, -0.0006761800000000 ] - [ -0.0009907300000000, -0.0003883800000000, -0.0004975100000000 ] - [ 0.0017624100000000, 0.0012684900000000, 0.0002453400000000 ] - [ -0.0002924300000000, -0.0000877900000000, -0.0001625600000000 ] - [ -0.0003584500000000, -0.0003481500000000, -0.0002466700000000 ] - [ 0.0000770400000000, 0.0003000300000000, 0.0005791500000000 ] - [ -0.0008126200000000, -0.0004213100000000, -0.0005515200000000 ] - [ -0.0005407600000000, -0.0000409100000000, 0.0002570600000000 ] - [ 0.0002116600000000, 0.0003495800000000, 0.0000940400000000 ] - [ -0.0006076600000000, -0.0005634000000000, -0.0005141300000000 ] - [ 0.0002983400000000, 0.0004528300000000, 0.0001640300000000 ] - [ 0.0003151800000000, -0.0014224800000000, -0.0004381000000000 ] - [ 0.0009885700000000, 0.0005167700000000, 0.0008188200000000 ] - [ -0.0038339100000000, -0.0004037600000000, -0.0030279100000000 ] - [ 0.0025806800000000, 0.0004758600000000, 0.0018673100000000 ] - [ 0.0004733200000000, -0.0003291700000000, -0.0000188700000000 ] - [ 0.0007344500000000, -0.0005708800000000, 0.0001164800000000 ] - [ -0.0004262200000000, 0.0001571400000000, -0.0001789200000000 ] - [ 0.0009856700000000, -0.0006346400000000, 0.0000389700000000 ] - [ -0.0006597500000000, 0.0000782800000000, -0.0000084800000000 ] - [ 0.0001824000000000, -0.0000668100000000, -0.0000947500000000 ] - [ -0.0001398300000000, 0.0000302000000000, -0.0000712200000000 ] - [ -0.0000490600000000, -0.0000231900000000, -0.0000642000000000 ] - [ -0.0001641800000000, 0.0003875800000000, 0.0007546800000000 ] - [ -0.0005245200000000, 0.0008446000000000, 0.0009393000000000 ] - [ -0.0004305100000000, 0.0003462100000000, 0.0006052200000000 ] - [ -0.0002689500000000, 0.0006673000000000, 0.0007004500000000 ]- atom: 1 displacement: [ -0.0002521786343742, 0.0000000000000000, 0.0099968197911318 ] forces: - [ 0.0034949700000000, 0.0314754000000000, -0.3034017500000000 ] - [ -0.0047308600000000, -0.0025109000000000, -0.0256247900000000 ] - [ 0.0004919900000000, 0.0037889400000000, 0.0293375000000000 ] - [ -0.0004562300000000, 0.0014352000000000, 0.0192840000000000 ] - [ -0.0093802300000000, 0.0299670400000000, 0.0329265900000000 ] - [ 0.0166600700000000, -0.0591672000000000, 0.0514596100000000 ] - [ 0.0160918200000000, -0.0474751800000000, 0.0336545800000000 ] - [ -0.0105211000000000, 0.0400073400000000, 0.0508857400000000 ] - [ 0.0324562800000000, 0.0141879600000000, -0.0093865700000000 ] - [ 0.0104495500000000, -0.0055741000000000, -0.0099277100000000 ] - [ -0.0044651400000000, -0.0023552600000000, 0.0102054300000000 ] - [ -0.0051494300000000, 0.0015304400000000, 0.0101904400000000 ] - [ 0.0094069500000000, 0.0023797300000000, 0.0147168900000000 ] - [ 0.0058723000000000, 0.0009960100000000, 0.0071707400000000 ] - [ -0.0500737100000000, 0.0118399800000000, -0.0112262200000000 ] - [ -0.0082056400000000, -0.0005499400000000, -0.0083439000000000 ] - [ 0.0009718300000000, 0.0000940900000000, -0.0010850000000000 ] - [ 0.0004423600000000, 0.0006612600000000, -0.0010994000000000 ] - [ 0.0015059700000000, 0.0002082300000000, 0.0006948700000000 ] - [ 0.0011933000000000, 0.0007864300000000, 0.0006865400000000 ] - [ 0.0007428200000000, -0.0004492000000000, -0.0003902700000000 ] - [ 0.0011934800000000, -0.0000456600000000, -0.0001670000000000 ] - [ 0.0011236000000000, -0.0005311900000000, -0.0003809400000000 ] - [ 0.0007975000000000, -0.0006855200000000, -0.0001788200000000 ] - [ -0.0007418400000000, 0.0003647500000000, -0.0018846400000000 ] - [ -0.0014492900000000, -0.0011285700000000, -0.0021161600000000 ] - [ 0.0027147500000000, 0.0006120600000000, 0.0027852200000000 ] - [ 0.0010488600000000, -0.0001045600000000, 0.0016699800000000 ] - [ -0.0018312400000000, 0.0005804900000000, 0.0009416200000000 ] - [ -0.0011982500000000, 0.0005549100000000, 0.0012113300000000 ] - [ 0.0029148600000000, -0.0014336000000000, -0.0002680700000000 ] - [ 0.0005938500000000, 0.0008489500000000, -0.0017594200000000 ] - [ 0.0021452500000000, 0.0001061400000000, 0.0012173700000000 ] - [ 0.0019021200000000, -0.0004709500000000, 0.0001362600000000 ] - [ -0.0009104000000000, -0.0001655300000000, -0.0003794700000000 ] - [ -0.0014253700000000, 0.0010246100000000, 0.0004092500000000 ] - [ 0.0002764100000000, 0.0001364300000000, -0.0022722900000000 ] - [ 0.0012597200000000, 0.0007899400000000, -0.0018087000000000 ] - [ 0.0003482700000000, -0.0002271100000000, 0.0018606400000000 ] - [ 0.0001555000000000, -0.0000437200000000, 0.0013342100000000 ] - [ -0.0092869000000000, 0.0018705600000000, 0.0052243900000000 ] - [ -0.0045016200000000, -0.0021248300000000, 0.0026662000000000 ] - [ 0.0176650800000000, -0.0020677600000000, 0.0074309400000000 ] - [ 0.0043720800000000, 0.0017762900000000, -0.0020640700000000 ] - [ 0.0010471600000000, -0.0033721600000000, -0.0096304700000000 ] - [ -0.0076179200000000, -0.0042091200000000, -0.0104118100000000 ] - [ 0.0019391000000000, -0.0002835800000000, 0.0057577700000000 ] - [ 0.0022098300000000, 0.0000538900000000, 0.0056098200000000 ] - [ -0.0047646500000000, 0.0013404800000000, -0.0039256900000000 ] - [ -0.0015463100000000, 0.0009473300000000, -0.0001418700000000 ] - [ 0.0038273300000000, 0.0024130800000000, -0.0037714200000000 ] - [ 0.0013727600000000, -0.0001966400000000, -0.0004667400000000 ] - [ -0.0419093000000000, -0.0523915300000000, 0.1009493300000000 ] - [ 0.0011801700000000, -0.0100871400000000, 0.0082093900000000 ] - [ 0.0005115800000000, 0.0081423300000000, -0.0178835400000000 ] - [ 0.0001357800000000, 0.0095992600000000, -0.0117455600000000 ] - [ 0.0075615300000000, 0.0118901400000000, 0.0237607800000000 ] - [ -0.0041589500000000, 0.0116723400000000, 0.0093491100000000 ] - [ 0.0017618600000000, -0.0015364200000000, -0.0095719200000000 ] - [ 0.0037934400000000, -0.0047235700000000, -0.0097491000000000 ] - [ 0.0010548200000000, 0.0071201800000000, 0.0129425500000000 ] - [ -0.0000911600000000, 0.0029748300000000, 0.0044291500000000 ] - [ -0.0000452900000000, -0.0041263600000000, -0.0062979800000000 ] - [ 0.0001505600000000, -0.0036885100000000, -0.0054022800000000 ] - [ 0.0079162900000000, -0.0038159300000000, -0.0016754300000000 ] - [ 0.0131045300000000, 0.0112471000000000, -0.0009259200000000 ] - [ -0.0084919200000000, 0.0010706000000000, -0.0051831100000000 ] - [ -0.0116794500000000, -0.0064027100000000, -0.0051365800000000 ] - [ -0.0074286500000000, -0.0036485000000000, -0.0014388400000000 ] - [ -0.0019045100000000, -0.0007218500000000, 0.0009616300000000 ] - [ 0.0015359200000000, 0.0007926000000000, -0.0005085900000000 ] - [ 0.0014103200000000, 0.0003581200000000, -0.0008819700000000 ] - [ 0.0238094500000000, -0.0132124200000000, 0.0213030200000000 ] - [ 0.0000627300000000, -0.0011852300000000, 0.0046712000000000 ] - [ -0.0010700500000000, -0.0013485500000000, -0.0044830600000000 ] - [ -0.0003141900000000, -0.0007738700000000, -0.0036895300000000 ] - [ -0.0044154700000000, -0.0057272000000000, -0.0038558100000000 ] - [ -0.0120485000000000, 0.0001474800000000, -0.0034037900000000 ] - [ 0.0056094200000000, 0.0054150400000000, -0.0021565600000000 ] - [ 0.0084205000000000, -0.0026114500000000, -0.0051954900000000 ] - [ -0.0038626200000000, 0.0011958100000000, -0.0018018600000000 ] - [ -0.0020569600000000, 0.0006122000000000, -0.0014298500000000 ] - [ 0.0080180000000000, -0.0035547800000000, 0.0041016500000000 ] - [ 0.0022309500000000, -0.0005152300000000, 0.0015181700000000 ] - [ -0.0003642300000000, 0.0008204100000000, -0.0098620800000000 ] - [ -0.0057041400000000, 0.0104703200000000, -0.0098314800000000 ] - [ -0.0032599200000000, 0.0049319500000000, 0.0101291500000000 ] - [ 0.0062559700000000, -0.0104503100000000, 0.0065898200000000 ] - [ -0.0138091300000000, 0.0019948700000000, 0.0186941700000000 ] - [ 0.0003158200000000, -0.0045126500000000, 0.0063483600000000 ] - [ -0.0001997300000000, 0.0017541200000000, -0.0054222300000000 ] - [ -0.0003380200000000, 0.0019489000000000, -0.0044033600000000 ] - [ 0.0016352200000000, -0.0084566800000000, -0.0105508500000000 ] - [ 0.0011034800000000, -0.0079967700000000, -0.0193706100000000 ] - [ -0.0025445100000000, 0.0125372100000000, 0.0111109100000000 ] - [ 0.0211850700000000, 0.0255400900000000, 0.0291845100000000 ] - [ 0.0004824800000000, 0.0005532500000000, 0.0000326300000000 ] - [ 0.0008315200000000, 0.0001546500000000, -0.0000634600000000 ] - [ -0.0003206500000000, 0.0008186500000000, -0.0010542600000000 ] - [ -0.0012269400000000, -0.0003065600000000, -0.0004687500000000 ] - [ -0.0004496200000000, -0.0006579500000000, 0.0010767400000000 ] - [ -0.0006102600000000, -0.0009123500000000, 0.0011475000000000 ] - [ -0.0004456700000000, -0.0002644800000000, 0.0003350400000000 ] - [ -0.0003264000000000, -0.0004134000000000, 0.0004327900000000 ] - [ 0.0005811900000000, 0.0004504900000000, 0.0002970900000000 ] - [ 0.0006216800000000, 0.0005878900000000, 0.0002665300000000 ] - [ -0.0005430500000000, -0.0001399200000000, -0.0003762300000000 ] - [ -0.0000510500000000, 0.0000758200000000, -0.0003071200000000 ] - [ -0.0001740300000000, -0.0000198600000000, 0.0010354700000000 ] - [ -0.0006710600000000, 0.0011031900000000, 0.0011694100000000 ] - [ 0.0004951400000000, -0.0011985100000000, -0.0021076800000000 ] - [ 0.0002698100000000, -0.0009532700000000, -0.0017047000000000 ] - [ -0.0006826200000000, -0.0004077500000000, 0.0004070400000000 ] - [ -0.0014393400000000, -0.0005839900000000, -0.0000061700000000 ] - [ -0.0003847000000000, 0.0005019100000000, -0.0005734900000000 ] - [ -0.0003435100000000, 0.0003959800000000, -0.0004425400000000 ] - [ 0.0004152600000000, -0.0008254000000000, 0.0022710600000000 ] - [ 0.0023032200000000, 0.0015455700000000, 0.0002941400000000 ] - [ -0.0033526400000000, 0.0006990800000000, -0.0031517000000000 ] - [ -0.0014097700000000, -0.0002931600000000, -0.0006562200000000 ] - [ -0.0006569700000000, 0.0003501100000000, 0.0003724800000000 ] - [ 0.0001141600000000, -0.0001592000000000, 0.0004204400000000 ] - [ -0.0011454200000000, -0.0003420200000000, -0.0009103800000000 ] - [ -0.0009582800000000, -0.0001950400000000, -0.0006169000000000 ] - [ -0.0001487800000000, 0.0001496900000000, 0.0001480200000000 ] - [ -0.0003041800000000, -0.0000924800000000, -0.0000399200000000 ] - [ -0.0008552000000000, -0.0003462800000000, -0.0002313000000000 ] - [ -0.0003531900000000, -0.0000136900000000, 0.0000122300000000 ] - [ 0.0022541200000000, -0.0031601400000000, -0.0024088000000000 ] - [ 0.0007128300000000, -0.0014354000000000, -0.0016286500000000 ] - [ -0.0031968200000000, 0.0035909800000000, 0.0018039700000000 ] - [ 0.0002589400000000, 0.0016633100000000, 0.0031069300000000 ] - [ 0.0004318600000000, -0.0003189600000000, -0.0003719000000000 ] - [ 0.0004266300000000, -0.0003710900000000, -0.0002589300000000 ] - [ -0.0002774000000000, -0.0000020300000000, 0.0002249900000000 ] - [ 0.0003570600000000, -0.0003844500000000, 0.0003177400000000 ] - [ -0.0005168900000000, -0.0002632000000000, 0.0006481900000000 ] - [ -0.0002003400000000, -0.0003199000000000, 0.0005315400000000 ] - [ -0.0007176700000000, 0.0008729300000000, -0.0010639300000000 ] - [ -0.0003496500000000, 0.0003126000000000, -0.0005805200000000 ] - [ -0.0006379100000000, 0.0005012900000000, 0.0004537900000000 ] - [ -0.0004928200000000, 0.0002668100000000, 0.0003094200000000 ] - [ -0.0004271300000000, 0.0007687400000000, 0.0010802100000000 ] - [ -0.0003842100000000, 0.0006636200000000, 0.0010779400000000 ]- atom: 1 displacement: [ 0.0002521786343742, 0.0000000000000000, -0.0099968197911318 ] forces: - [ -0.0041589400000000, -0.0358251900000000, 0.3072491800000000 ] - [ 0.0054809100000000, 0.0033994500000000, 0.0249235800000000 ] - [ 0.0002666400000000, -0.0028635300000000, -0.0297973900000000 ] - [ 0.0012057600000000, -0.0005603100000000, -0.0198097600000000 ] - [ 0.0099244600000000, -0.0309477100000000, -0.0334445300000000 ] - [ -0.0158087400000000, 0.0582731000000000, -0.0519583100000000 ] - [ -0.0151888600000000, 0.0461439500000000, -0.0339950800000000 ] - [ 0.0111876900000000, -0.0405791400000000, -0.0511640300000000 ] - [ -0.0329998000000000, -0.0143807600000000, 0.0092797400000000 ] - [ -0.0112257200000000, 0.0053834900000000, 0.0098449400000000 ] - [ 0.0036850400000000, 0.0020843100000000, -0.0102305100000000 ] - [ 0.0043610700000000, -0.0017516700000000, -0.0102118200000000 ] - [ -0.0102059500000000, -0.0021702700000000, -0.0147893600000000 ] - [ -0.0065961900000000, -0.0007389900000000, -0.0072094500000000 ] - [ 0.0488728900000000, -0.0115077800000000, 0.0110910800000000 ] - [ 0.0074235900000000, 0.0008011400000000, 0.0082353500000000 ] - [ -0.0002497000000000, 0.0007833900000000, 0.0004560300000000 ] - [ 0.0002770900000000, 0.0002212900000000, 0.0004678500000000 ] - [ -0.0007758600000000, 0.0006730200000000, -0.0013170900000000 ] - [ -0.0004639600000000, 0.0000921400000000, -0.0013099800000000 ] - [ -0.0000184200000000, -0.0004327300000000, -0.0002374500000000 ] - [ -0.0004646200000000, -0.0008333400000000, -0.0004567600000000 ] - [ -0.0004045800000000, -0.0003522500000000, -0.0002470900000000 ] - [ -0.0000716600000000, -0.0001935300000000, -0.0004489300000000 ] - [ -0.0000598800000000, -0.0006278700000000, 0.0018116000000000 ] - [ 0.0006638500000000, 0.0008920100000000, 0.0020488800000000 ] - [ -0.0034871100000000, -0.0008534500000000, -0.0028600500000000 ] - [ -0.0018069300000000, -0.0001335300000000, -0.0017373600000000 ] - [ 0.0010742800000000, -0.0003458000000000, -0.0009896000000000 ] - [ 0.0004318500000000, -0.0003116000000000, -0.0012706000000000 ] - [ -0.0036834500000000, 0.0016716700000000, 0.0001843300000000 ] - [ -0.0013616200000000, -0.0006167900000000, 0.0016872200000000 ] - [ -0.0019520700000000, -0.0001100200000000, -0.0012081300000000 ] - [ -0.0017150800000000, 0.0004686400000000, -0.0001317300000000 ] - [ 0.0010884800000000, 0.0001566400000000, 0.0003807900000000 ] - [ 0.0015945000000000, -0.0010119200000000, -0.0003980100000000 ] - [ -0.0000974900000000, -0.0001315200000000, 0.0022570200000000 ] - [ -0.0010700000000000, -0.0007809500000000, 0.0018039000000000 ] - [ -0.0001656200000000, 0.0002285300000000, -0.0018492400000000 ] - [ 0.0000295700000000, 0.0000482900000000, -0.0013242000000000 ] - [ 0.0095181600000000, -0.0018349100000000, -0.0052180500000000 ] - [ 0.0046748200000000, 0.0021124300000000, -0.0026380800000000 ] - [ -0.0173973600000000, 0.0020750300000000, -0.0074966700000000 ] - [ -0.0041609400000000, -0.0017708400000000, 0.0020519500000000 ] - [ -0.0009712200000000, 0.0034810100000000, 0.0096985300000000 ] - [ 0.0077628400000000, 0.0041838900000000, 0.0103851700000000 ] - [ -0.0017285800000000, 0.0002914200000000, -0.0057456200000000 ] - [ -0.0020078700000000, -0.0000530000000000, -0.0055893700000000 ] - [ 0.0049032900000000, -0.0007841300000000, 0.0031805300000000 ] - [ 0.0017019600000000, -0.0004412600000000, -0.0005592100000000 ] - [ -0.0036499200000000, -0.0018864700000000, 0.0030566700000000 ] - [ -0.0012121000000000, 0.0007025000000000, -0.0002362800000000 ] - [ 0.0436950300000000, 0.0566253300000000, -0.1054973800000000 ] - [ -0.0018399500000000, 0.0089511800000000, -0.0066996900000000 ] - [ -0.0011713200000000, -0.0092322000000000, 0.0192588200000000 ] - [ -0.0008084300000000, -0.0106520800000000, 0.0131713500000000 ] - [ -0.0073904800000000, -0.0126763900000000, -0.0249410800000000 ] - [ 0.0051377000000000, -0.0109361000000000, -0.0093289300000000 ] - [ -0.0007650300000000, 0.0022805100000000, 0.0095011600000000 ] - [ -0.0027816100000000, 0.0054431300000000, 0.0096723500000000 ] - [ -0.0008695900000000, -0.0075826100000000, -0.0135490900000000 ] - [ 0.0002456200000000, -0.0035048800000000, -0.0051225100000000 ] - [ 0.0002052700000000, 0.0036043500000000, 0.0055804200000000 ] - [ 0.0000056400000000, 0.0031503800000000, 0.0046711600000000 ] - [ -0.0085987000000000, 0.0042532000000000, 0.0015485900000000 ] - [ -0.0136539900000000, -0.0108687900000000, 0.0007201100000000 ] - [ 0.0078028800000000, -0.0007504800000000, 0.0050055000000000 ] - [ 0.0110091700000000, 0.0066848300000000, 0.0049438900000000 ] - [ 0.0076282900000000, 0.0035246700000000, 0.0016391500000000 ] - [ 0.0021456500000000, 0.0006186600000000, -0.0007403300000000 ] - [ -0.0012861200000000, -0.0008920000000000, 0.0007196600000000 ] - [ -0.0011559800000000, -0.0004594400000000, 0.0010904900000000 ] - [ -0.0247437600000000, 0.0131562000000000, -0.0220691100000000 ] - [ -0.0007108300000000, 0.0008816900000000, -0.0048431000000000 ] - [ 0.0004258400000000, 0.0010349400000000, 0.0042838100000000 ] - [ -0.0003267700000000, 0.0004627600000000, 0.0034790700000000 ] - [ 0.0041299100000000, 0.0057022800000000, 0.0037043900000000 ] - [ 0.0117720100000000, -0.0001919400000000, 0.0033297200000000 ] - [ -0.0058574300000000, -0.0053746600000000, 0.0020337600000000 ] - [ -0.0086528400000000, 0.0025904000000000, 0.0050696700000000 ] - [ 0.0041051200000000, -0.0010905000000000, 0.0020122200000000 ] - [ 0.0022870800000000, -0.0005039600000000, 0.0016356500000000 ] - [ -0.0077045300000000, 0.0036352300000000, -0.0038762900000000 ] - [ -0.0019744200000000, 0.0006139200000000, -0.0012983600000000 ] - [ 0.0013576600000000, -0.0015282600000000, 0.0098111800000000 ] - [ 0.0066716900000000, -0.0111507000000000, 0.0097544300000000 ] - [ 0.0032628500000000, -0.0066238800000000, -0.0083562000000000 ] - [ -0.0052490200000000, 0.0096617900000000, -0.0065811100000000 ] - [ 0.0141204200000000, -0.0022503500000000, -0.0190023700000000 ] - [ -0.0005821800000000, 0.0044659500000000, -0.0064223600000000 ] - [ -0.0000626500000000, -0.0017646700000000, 0.0052976700000000 ] - [ 0.0000672100000000, -0.0019464800000000, 0.0042716900000000 ] - [ -0.0023003600000000, 0.0095433700000000, 0.0119990900000000 ] - [ -0.0017636800000000, 0.0090085900000000, 0.0207255800000000 ] - [ 0.0018346200000000, -0.0113706900000000, -0.0095653700000000 ] - [ -0.0210550900000000, -0.0222652500000000, -0.0265372800000000 ] - [ -0.0003131800000000, -0.0000307500000000, -0.0007511300000000 ] - [ -0.0006711800000000, 0.0003684600000000, -0.0006514200000000 ] - [ 0.0004747900000000, -0.0003062500000000, 0.0003547900000000 ] - [ 0.0013897700000000, 0.0008254400000000, -0.0002364900000000 ] - [ -0.0002125200000000, -0.0004589100000000, 0.0004221500000000 ] - [ -0.0000536000000000, -0.0002075500000000, 0.0003541700000000 ] - [ -0.0002160400000000, -0.0008507000000000, 0.0011611700000000 ] - [ -0.0003345400000000, -0.0007038100000000, 0.0010633100000000 ] - [ 0.0004255300000000, 0.0002993400000000, -0.0003097200000000 ] - [ 0.0003828500000000, 0.0001591600000000, -0.0002801800000000 ] - [ 0.0015487700000000, 0.0008851700000000, 0.0003637500000000 ] - [ 0.0010504500000000, 0.0006678100000000, 0.0002926700000000 ] - [ 0.0003296500000000, -0.0004909000000000, -0.0017331100000000 ] - [ 0.0008366700000000, -0.0016183300000000, -0.0018640500000000 ] - [ -0.0003370400000000, 0.0006800700000000, 0.0014004300000000 ] - [ -0.0001143500000000, 0.0004348100000000, 0.0009953400000000 ] - [ 0.0000571100000000, 0.0007182600000000, -0.0005929400000000 ] - [ 0.0008083700000000, 0.0008945300000000, -0.0001834100000000 ] - [ -0.0002384100000000, -0.0001856900000000, 0.0003811000000000 ] - [ -0.0002836100000000, -0.0000813700000000, 0.0002495200000000 ] - [ -0.0001191400000000, 0.0007427800000000, -0.0020827200000000 ] - [ -0.0020432700000000, -0.0016440000000000, -0.0000861400000000 ] - [ 0.0036065400000000, -0.0008199700000000, 0.0033844300000000 ] - [ 0.0016439500000000, 0.0001847100000000, 0.0008692000000000 ] - [ 0.0000314600000000, -0.0006627000000000, -0.0005601400000000 ] - [ -0.0007343800000000, -0.0001567700000000, -0.0006077700000000 ] - [ 0.0005115600000000, 0.0000296300000000, 0.0007148400000000 ] - [ 0.0003255500000000, -0.0001183400000000, 0.0004228400000000 ] - [ -0.0001045500000000, -0.0001364300000000, -0.0002639700000000 ] - [ 0.0000464400000000, 0.0001049500000000, -0.0000746900000000 ] - [ 0.0005995500000000, 0.0003629100000000, 0.0001224600000000 ] - [ 0.0000950800000000, 0.0000309900000000, -0.0001215900000000 ] - [ -0.0020226400000000, 0.0032629900000000, 0.0026180500000000 ] - [ -0.0004680200000000, 0.0015348400000000, 0.0018345900000000 ] - [ 0.0034353200000000, -0.0034800400000000, -0.0015702400000000 ] - [ -0.0000245400000000, -0.0015476300000000, -0.0028871900000000 ] - [ 0.0005666800000000, -0.0004233600000000, 0.0003561000000000 ] - [ 0.0005747500000000, -0.0003739500000000, 0.0002441700000000 ] - [ 0.0012815300000000, -0.0007434400000000, -0.0002362100000000 ] - [ 0.0006486000000000, -0.0003623100000000, -0.0003296200000000 ] - [ 0.0002611100000000, 0.0002454800000000, -0.0007555600000000 ] - [ -0.0000552100000000, 0.0003030800000000, -0.0006404900000000 ] - [ 0.0004607000000000, -0.0008908200000000, 0.0009554200000000 ] - [ 0.0000894300000000, -0.0003257400000000, 0.0004681000000000 ] - [ -0.0000256300000000, 0.0006168700000000, 0.0010436500000000 ] - [ -0.0001711900000000, 0.0008495000000000, 0.0011877500000000 ] - [ -0.0002357600000000, 0.0003516700000000, 0.0004224700000000 ] - [ -0.0002767600000000, 0.0004531700000000, 0.0004216200000000 ]- atom: 9 displacement: [ 0.0099999998410115, 0.0000000000000000, -0.0000017831910382 ] forces: - [ 0.0201378600000000, 0.0480701400000000, 0.0331025200000000 ] - [ 0.0200683100000000, -0.0233781500000000, 0.0111015400000000 ] - [ -0.0033959700000000, 0.0025125500000000, -0.0045086100000000 ] - [ -0.0034046200000000, -0.0047557300000000, -0.0052062000000000 ] - [ 0.0344548500000000, -0.0099738100000000, -0.0492650700000000 ] - [ -0.0052903500000000, 0.0019155700000000, -0.0082895300000000 ] - [ -0.0018939900000000, 0.0017669300000000, 0.0094658300000000 ] - [ -0.0044054100000000, 0.0002536100000000, 0.0058153800000000 ] - [ -0.3235607000000000, -0.0098691500000000, -0.0033987600000000 ] - [ -0.0143789900000000, -0.0033629400000000, -0.0054817300000000 ] - [ -0.0119429000000000, 0.0056558900000000, -0.0002425100000000 ] - [ -0.0065981700000000, -0.0050191900000000, -0.0010460400000000 ] - [ -0.0220385300000000, -0.0106703300000000, 0.0157878900000000 ] - [ -0.0280139600000000, -0.0129209400000000, -0.0104427400000000 ] - [ -0.0220726100000000, -0.0142677300000000, -0.0116349300000000 ] - [ -0.0279295300000000, -0.0068765000000000, 0.0148783300000000 ] - [ 0.0110893100000000, -0.0021783100000000, -0.0003789600000000 ] - [ 0.0081259500000000, 0.0015707300000000, -0.0011709600000000 ] - [ 0.0082430400000000, -0.0000668800000000, 0.0029941800000000 ] - [ 0.0045312300000000, 0.0013872700000000, 0.0012227600000000 ] - [ 0.0072984700000000, -0.0024777200000000, 0.0008340600000000 ] - [ 0.0106401300000000, 0.0022294600000000, 0.0032488400000000 ] - [ 0.0055293200000000, -0.0015563800000000, -0.0009909100000000 ] - [ 0.0052852800000000, -0.0002778800000000, -0.0016392100000000 ] - [ 0.0076363500000000, 0.0002076500000000, 0.0007826300000000 ] - [ 0.0076364300000000, -0.0001688000000000, 0.0002520000000000 ] - [ 0.0060630100000000, -0.0004262700000000, 0.0012731900000000 ] - [ 0.0060630100000000, 0.0002158700000000, 0.0009592000000000 ] - [ 0.0071508700000000, -0.0002610600000000, 0.0005341000000000 ] - [ 0.0063742600000000, 0.0006874300000000, 0.0009648300000000 ] - [ 0.0071523800000000, -0.0003654000000000, 0.0009262300000000 ] - [ 0.0063747700000000, 0.0001941400000000, 0.0005753400000000 ] - [ 0.0211117900000000, -0.0007196200000000, 0.0314614200000000 ] - [ -0.0008460500000000, -0.0004983000000000, 0.0006667900000000 ] - [ 0.0013720600000000, 0.0002211700000000, -0.0057985000000000 ] - [ -0.0011943300000000, 0.0006082700000000, -0.0022162100000000 ] - [ 0.0048785200000000, -0.0104632400000000, -0.0003893700000000 ] - [ 0.0242920900000000, 0.0238258800000000, -0.0133792800000000 ] - [ -0.0003698500000000, -0.0021309900000000, 0.0014906000000000 ] - [ -0.0017143900000000, 0.0016058100000000, 0.0009687500000000 ] - [ 0.0048694600000000, 0.0016475600000000, -0.0018402800000000 ] - [ 0.0039052300000000, -0.0011971400000000, -0.0003619100000000 ] - [ 0.0043662300000000, -0.0001705100000000, 0.0030794600000000 ] - [ 0.0036958400000000, -0.0006546000000000, 0.0020313500000000 ] - [ 0.0082065100000000, -0.0008237500000000, 0.0013603300000000 ] - [ 0.0048124100000000, 0.0000095600000000, -0.0000613800000000 ] - [ 0.0027734800000000, 0.0002820300000000, 0.0004049400000000 ] - [ 0.0024566800000000, 0.0002122700000000, 0.0003494700000000 ] - [ 0.0202810700000000, 0.0058677700000000, -0.0081704000000000 ] - [ 0.0059504300000000, -0.0000499900000000, -0.0028957600000000 ] - [ 0.0020887700000000, -0.0013378400000000, 0.0034711600000000 ] - [ 0.0024265700000000, 0.0039642300000000, -0.0037882800000000 ] - [ -0.0027077400000000, -0.0110181300000000, 0.0079086100000000 ] - [ -0.0050554500000000, 0.0067556000000000, -0.0009229200000000 ] - [ 0.0003771400000000, -0.0005930000000000, 0.0003774800000000 ] - [ 0.0001130300000000, -0.0000670100000000, 0.0004310000000000 ] - [ 0.0067538700000000, -0.0092285500000000, -0.0033881500000000 ] - [ 0.0049547800000000, 0.0062668700000000, 0.0024218000000000 ] - [ 0.0045062900000000, 0.0008549200000000, -0.0007902900000000 ] - [ 0.0044967900000000, 0.0026062900000000, -0.0000997600000000 ] - [ 0.0343194200000000, -0.0173295000000000, -0.0309007100000000 ] - [ 0.0048999000000000, 0.0039611000000000, 0.0012127800000000 ] - [ 0.0030856500000000, -0.0034700000000000, -0.0044580600000000 ] - [ 0.0022241400000000, 0.0036546800000000, 0.0037454400000000 ] - [ -0.0096275200000000, -0.0028336700000000, 0.0014538800000000 ] - [ -0.0017270400000000, -0.0003369700000000, 0.0008060800000000 ] - [ -0.0018362700000000, -0.0004538600000000, -0.0013387200000000 ] - [ -0.0011611500000000, -0.0000240700000000, -0.0008642200000000 ] - [ 0.1409254200000000, 0.0601075200000000, 0.0225938500000000 ] - [ 0.0071481200000000, 0.0044337900000000, 0.0007025700000000 ] - [ 0.0039790200000000, 0.0005159500000000, 0.0014210100000000 ] - [ 0.0047958400000000, 0.0022335500000000, 0.0010401100000000 ] - [ -0.0101935200000000, 0.0006552600000000, -0.0039760200000000 ] - [ -0.0074142300000000, 0.0034514100000000, -0.0023519700000000 ] - [ -0.0004066800000000, -0.0003200600000000, 0.0007021100000000 ] - [ -0.0014888400000000, 0.0008938800000000, 0.0002617900000000 ] - [ 0.0277540400000000, 0.0058299200000000, -0.0042849200000000 ] - [ 0.0069706100000000, 0.0050498900000000, 0.0029265400000000 ] - [ 0.0044252000000000, -0.0002146200000000, -0.0037781900000000 ] - [ 0.0058272600000000, 0.0045784300000000, 0.0014873800000000 ] - [ 0.0006840600000000, 0.0011335200000000, -0.0008192100000000 ] - [ 0.0115712100000000, -0.0068803000000000, -0.0041778800000000 ] - [ 0.0029561100000000, 0.0023500800000000, 0.0028863800000000 ] - [ 0.0108432800000000, -0.0070452300000000, 0.0090028400000000 ] - [ 0.0076120200000000, -0.0085794400000000, 0.0083575700000000 ] - [ 0.0034468300000000, 0.0001056400000000, 0.0013308600000000 ] - [ 0.0093535500000000, -0.0024050900000000, -0.0066531300000000 ] - [ 0.0041029400000000, 0.0015452200000000, -0.0042154700000000 ] - [ 0.0102618000000000, -0.0034224700000000, -0.0032359600000000 ] - [ 0.0293237000000000, -0.0205417900000000, 0.0137272200000000 ] - [ 0.0053076300000000, 0.0009285800000000, -0.0034481400000000 ] - [ 0.0042097900000000, -0.0022976800000000, 0.0032270300000000 ] - [ -0.0018236400000000, 0.0094613200000000, 0.0116252400000000 ] - [ -0.0000933400000000, 0.0013952700000000, 0.0031622500000000 ] - [ -0.0025693400000000, -0.0013942700000000, -0.0060363900000000 ] - [ -0.0000818300000000, -0.0087085900000000, -0.0094594100000000 ] - [ -0.0017743400000000, 0.0003365900000000, -0.0002775400000000 ] - [ -0.0016581800000000, 0.0000121200000000, -0.0002377400000000 ] - [ -0.0013806600000000, 0.0004921400000000, -0.0007685600000000 ] - [ -0.0014190500000000, 0.0002943400000000, -0.0006192700000000 ] - [ -0.0020406000000000, 0.0006264500000000, -0.0000689900000000 ] - [ -0.0031004200000000, -0.0018899900000000, 0.0007222700000000 ] - [ -0.0011535600000000, 0.0002580500000000, -0.0000534600000000 ] - [ -0.0010766700000000, -0.0008346000000000, 0.0009831600000000 ] - [ -0.0030581200000000, -0.0011421800000000, -0.0001169500000000 ] - [ -0.0035105100000000, -0.0011556800000000, -0.0000514100000000 ] - [ -0.0022704400000000, -0.0005438800000000, -0.0000355600000000 ] - [ -0.0029406600000000, -0.0014745800000000, -0.0007816400000000 ] - [ -0.0014964800000000, -0.0003357000000000, -0.0004994000000000 ] - [ -0.0018137700000000, -0.0000253700000000, -0.0003488900000000 ] - [ -0.0013563600000000, -0.0004131600000000, -0.0005189800000000 ] - [ -0.0014268900000000, -0.0003656800000000, -0.0005118400000000 ] - [ -0.0028684800000000, 0.0010998900000000, -0.0018489600000000 ] - [ -0.0100180800000000, -0.0038143800000000, -0.0028642800000000 ] - [ -0.0020920300000000, -0.0002357700000000, -0.0003437300000000 ] - [ -0.0017144700000000, -0.0012064400000000, 0.0004424400000000 ] - [ -0.0049920300000000, -0.0024581400000000, -0.0003042100000000 ] - [ -0.0041956800000000, -0.0016546600000000, -0.0003410200000000 ] - [ -0.0037867500000000, -0.0008773100000000, -0.0012864600000000 ] - [ -0.0034343100000000, -0.0009345200000000, -0.0010207300000000 ] - [ -0.0084073200000000, 0.0037306500000000, 0.0023606000000000 ] - [ -0.0044443400000000, 0.0029488800000000, 0.0013676700000000 ] - [ -0.0056232900000000, -0.0026327100000000, -0.0056958200000000 ] - [ -0.0017085800000000, 0.0003796100000000, -0.0006285800000000 ] - [ -0.0035948500000000, -0.0011397800000000, -0.0001817700000000 ] - [ -0.0046036700000000, -0.0019414200000000, -0.0002809100000000 ] - [ -0.0030526000000000, -0.0011687700000000, -0.0002687000000000 ] - [ -0.0029190500000000, -0.0012688500000000, -0.0001770800000000 ] - [ -0.0040254100000000, 0.0016967400000000, -0.0002355900000000 ] - [ -0.0036312200000000, 0.0016945400000000, -0.0002686700000000 ] - [ -0.0047119000000000, 0.0013389600000000, -0.0013817700000000 ] - [ -0.0039198900000000, 0.0013909900000000, -0.0007840300000000 ] - [ -0.0031852500000000, 0.0014921000000000, -0.0007646200000000 ] - [ -0.0024726800000000, 0.0011683900000000, -0.0006190700000000 ] - [ -0.0032577000000000, 0.0005874800000000, 0.0006753000000000 ] - [ -0.0027572500000000, 0.0005640700000000, 0.0003681200000000 ] - [ -0.0040609500000000, 0.0017541500000000, 0.0000071400000000 ] - [ -0.0034777300000000, 0.0012983400000000, 0.0000693600000000 ] - [ -0.0040056400000000, 0.0015822400000000, -0.0006246400000000 ] - [ -0.0027807200000000, 0.0009721900000000, -0.0003525700000000 ] - [ -0.0028009000000000, 0.0009151300000000, -0.0001340800000000 ] - [ -0.0008421100000000, -0.0012648400000000, -0.0013601400000000 ] - [ -0.0019751900000000, 0.0017608200000000, 0.0022262700000000 ] - [ -0.0024976800000000, 0.0007865400000000, 0.0024174200000000 ]- atom: 9 displacement: [ -0.0099999998410115, 0.0000000000000000, 0.0000017831910382 ] forces: - [ -0.0192592800000000, -0.0466958500000000, -0.0333754500000000 ] - [ -0.0193195900000000, 0.0240652900000000, -0.0115794500000000 ] - [ 0.0040908700000000, -0.0016102200000000, 0.0038347000000000 ] - [ 0.0040824000000000, 0.0055653600000000, 0.0044982700000000 ] - [ -0.0332473600000000, 0.0090509500000000, 0.0480024900000000 ] - [ 0.0059558200000000, -0.0028013100000000, 0.0076247100000000 ] - [ 0.0025614500000000, -0.0026172500000000, -0.0100365400000000 ] - [ 0.0050808300000000, -0.0011510700000000, -0.0064167100000000 ] - [ 0.3300824100000000, 0.0144744100000000, 0.0053977100000000 ] - [ 0.0135616700000000, 0.0030792600000000, 0.0054305100000000 ] - [ 0.0111098700000000, -0.0058015400000000, 0.0001259200000000 ] - [ 0.0057911800000000, 0.0047437100000000, 0.0009378000000000 ] - [ 0.0211138200000000, 0.0107045200000000, -0.0155785300000000 ] - [ 0.0271028100000000, 0.0130299800000000, 0.0102741700000000 ] - [ 0.0210906900000000, 0.0140655000000000, 0.0111898300000000 ] - [ 0.0271777400000000, 0.0071481700000000, -0.0150063600000000 ] - [ -0.0103220200000000, 0.0030508000000000, -0.0002395200000000 ] - [ -0.0073595600000000, -0.0006764600000000, 0.0005494200000000 ] - [ -0.0074554200000000, 0.0009474500000000, -0.0036073600000000 ] - [ -0.0037551000000000, -0.0005053800000000, -0.0018444100000000 ] - [ -0.0065291400000000, 0.0015857400000000, -0.0014729700000000 ] - [ -0.0098618500000000, -0.0031026800000000, -0.0038708100000000 ] - [ -0.0047490500000000, 0.0006748600000000, 0.0003786000000000 ] - [ -0.0045124900000000, -0.0006030700000000, 0.0010197700000000 ] - [ -0.0083479400000000, -0.0004441400000000, -0.0008416600000000 ] - [ -0.0083476200000000, -0.0000736400000000, -0.0003161400000000 ] - [ -0.0067790500000000, 0.0001827300000000, -0.0013316100000000 ] - [ -0.0067781600000000, -0.0004548700000000, -0.0010208400000000 ] - [ -0.0078644100000000, 0.0004976900000000, -0.0006049000000000 ] - [ -0.0070923100000000, -0.0004423100000000, -0.0010317300000000 ] - [ -0.0078630100000000, 0.0006042000000000, -0.0009800900000000 ] - [ -0.0070917400000000, 0.0000468300000000, -0.0006322200000000 ] - [ -0.0210457300000000, 0.0007889000000000, -0.0316201000000000 ] - [ 0.0010561000000000, 0.0004803500000000, -0.0006678500000000 ] - [ -0.0011650400000000, -0.0001754300000000, 0.0058207200000000 ] - [ 0.0014140100000000, -0.0006133200000000, 0.0022037400000000 ] - [ -0.0046156200000000, 0.0104951300000000, 0.0004209800000000 ] - [ -0.0242143500000000, -0.0239890000000000, 0.0133851500000000 ] - [ 0.0005819500000000, 0.0021135000000000, -0.0014658100000000 ] - [ 0.0018990400000000, -0.0015933900000000, -0.0009732600000000 ] - [ -0.0046483800000000, -0.0016324100000000, 0.0018256700000000 ] - [ -0.0036893700000000, 0.0011808400000000, 0.0003621700000000 ] - [ -0.0041601300000000, 0.0001616400000000, -0.0030537400000000 ] - [ -0.0034865900000000, 0.0006444100000000, -0.0020089900000000 ] - [ -0.0079562500000000, 0.0008299200000000, -0.0013381100000000 ] - [ -0.0045953700000000, -0.0000092300000000, 0.0000641500000000 ] - [ -0.0025698800000000, -0.0002744900000000, -0.0004063200000000 ] - [ -0.0022590800000000, -0.0002067000000000, -0.0003479600000000 ] - [ -0.0201694600000000, -0.0054947700000000, 0.0074615900000000 ] - [ -0.0057834600000000, 0.0005935500000000, 0.0021897400000000 ] - [ -0.0019241600000000, 0.0018098900000000, -0.0040658900000000 ] - [ -0.0022698700000000, -0.0034700700000000, 0.0031082700000000 ] - [ 0.0020304200000000, 0.0098370000000000, -0.0063823700000000 ] - [ 0.0043568100000000, -0.0077618300000000, 0.0023845100000000 ] - [ -0.0010340800000000, -0.0005269200000000, 0.0011253100000000 ] - [ -0.0007714200000000, -0.0010590300000000, 0.0010836400000000 ] - [ -0.0035515000000000, 0.0111014800000000, 0.0032450300000000 ] - [ -0.0039157700000000, -0.0054894500000000, -0.0024302200000000 ] - [ -0.0034698800000000, -0.0001031300000000, 0.0007792600000000 ] - [ -0.0034634200000000, -0.0018349300000000, 0.0000983200000000 ] - [ -0.0341769100000000, 0.0170957700000000, 0.0306931400000000 ] - [ -0.0047481300000000, -0.0045148500000000, -0.0019246300000000 ] - [ -0.0029162100000000, 0.0029157500000000, 0.0037157800000000 ] - [ -0.0020574700000000, -0.0041405200000000, -0.0044201800000000 ] - [ 0.0089294200000000, 0.0031140200000000, -0.0016334800000000 ] - [ 0.0010939200000000, 0.0006545600000000, -0.0009918000000000 ] - [ 0.0012114600000000, 0.0007671300000000, 0.0011427000000000 ] - [ 0.0005439100000000, 0.0003443800000000, 0.0006743700000000 ] - [ -0.1498032200000000, -0.0652276600000000, -0.0246026500000000 ] - [ -0.0069121800000000, -0.0045341000000000, -0.0004798900000000 ] - [ -0.0037444500000000, -0.0006377800000000, -0.0012056200000000 ] - [ -0.0045297000000000, -0.0023209500000000, -0.0008224300000000 ] - [ 0.0095147100000000, -0.0009858800000000, 0.0037583500000000 ] - [ 0.0067239300000000, -0.0037298300000000, 0.0021321200000000 ] - [ -0.0002217200000000, 0.0000040500000000, -0.0008837100000000 ] - [ 0.0008595900000000, -0.0011997300000000, -0.0004440600000000 ] - [ -0.0281990700000000, -0.0058929200000000, 0.0040252800000000 ] - [ -0.0071588100000000, -0.0049649200000000, -0.0030138100000000 ] - [ -0.0046402500000000, 0.0002350000000000, 0.0036757000000000 ] - [ -0.0060238400000000, -0.0044981300000000, -0.0015608800000000 ] - [ -0.0004874600000000, -0.0010006300000000, 0.0010138800000000 ] - [ -0.0112841900000000, 0.0069712000000000, 0.0044057000000000 ] - [ -0.0028123400000000, -0.0021768000000000, -0.0026887000000000 ] - [ -0.0105837100000000, 0.0072006500000000, -0.0088879800000000 ] - [ -0.0065246400000000, 0.0077568200000000, -0.0082988900000000 ] - [ -0.0024258800000000, -0.0008288500000000, -0.0013368800000000 ] - [ -0.0082104900000000, 0.0016212500000000, 0.0065960700000000 ] - [ -0.0030729500000000, -0.0022654100000000, 0.0041675500000000 ] - [ -0.0104112100000000, 0.0034179100000000, 0.0030594900000000 ] - [ -0.0298776200000000, 0.0198562200000000, -0.0133182800000000 ] - [ -0.0055216000000000, -0.0009498800000000, 0.0033272900000000 ] - [ -0.0044275700000000, 0.0022596600000000, -0.0033059500000000 ] - [ 0.0011264000000000, -0.0082432200000000, -0.0099945900000000 ] - [ -0.0005656900000000, -0.0002748300000000, -0.0016505700000000 ] - [ 0.0019103300000000, 0.0025018300000000, 0.0074867400000000 ] - [ -0.0005553800000000, 0.0097911600000000, 0.0109036300000000 ] - [ 0.0019179400000000, 0.0001804100000000, -0.0004250900000000 ] - [ 0.0018060100000000, 0.0005029600000000, -0.0004669600000000 ] - [ 0.0015279300000000, 0.0000288900000000, 0.0000579100000000 ] - [ 0.0015680400000000, 0.0002260800000000, -0.0000930700000000 ] - [ 0.0013721600000000, -0.0017403500000000, 0.0015676600000000 ] - [ 0.0024264200000000, 0.0007678100000000, 0.0007796300000000 ] - [ 0.0004784000000000, -0.0013706400000000, 0.0015465600000000 ] - [ 0.0004048000000000, -0.0002836100000000, 0.0005150500000000 ] - [ 0.0040356100000000, 0.0018791100000000, 0.0001045500000000 ] - [ 0.0044850200000000, 0.0018913400000000, 0.0000380600000000 ] - [ 0.0032492400000000, 0.0012791200000000, 0.0000201400000000 ] - [ 0.0039127200000000, 0.0022028900000000, 0.0007601800000000 ] - [ 0.0016451200000000, -0.0001860900000000, -0.0002123900000000 ] - [ 0.0019577100000000, -0.0004921700000000, -0.0003589400000000 ] - [ 0.0015061600000000, -0.0001057300000000, -0.0001871500000000 ] - [ 0.0015737300000000, -0.0001512800000000, -0.0001919500000000 ] - [ 0.0022304900000000, -0.0007969200000000, 0.0016710900000000 ] - [ 0.0093344100000000, 0.0041041100000000, 0.0026703800000000 ] - [ 0.0014294900000000, 0.0005394000000000, 0.0001443700000000 ] - [ 0.0010627300000000, 0.0014972800000000, -0.0006324400000000 ] - [ 0.0052021800000000, 0.0023330800000000, 0.0005159700000000 ] - [ 0.0044125000000000, 0.0015415000000000, 0.0005507700000000 ] - [ 0.0040050800000000, 0.0007665200000000, 0.0014898300000000 ] - [ 0.0036521000000000, 0.0008238700000000, 0.0012257000000000 ] - [ 0.0077515600000000, -0.0040246800000000, -0.0025567200000000 ] - [ 0.0038064900000000, -0.0032792200000000, -0.0015663300000000 ] - [ 0.0049552900000000, 0.0023136600000000, 0.0054810900000000 ] - [ 0.0010474200000000, -0.0006785800000000, 0.0004334000000000 ] - [ 0.0033150600000000, 0.0011482000000000, 0.0000737000000000 ] - [ 0.0043180500000000, 0.0019449500000000, 0.0001697100000000 ] - [ 0.0027693900000000, 0.0011717700000000, 0.0001543100000000 ] - [ 0.0026382900000000, 0.0012738200000000, 0.0000633900000000 ] - [ 0.0042503300000000, -0.0015836600000000, 0.0004521200000000 ] - [ 0.0038504200000000, -0.0015763400000000, 0.0004816000000000 ] - [ 0.0049280600000000, -0.0012309300000000, 0.0015822500000000 ] - [ 0.0041291400000000, -0.0012739900000000, 0.0009869700000000 ] - [ 0.0041591100000000, -0.0022237600000000, 0.0007502000000000 ] - [ 0.0034523100000000, -0.0019062000000000, 0.0006072100000000 ] - [ 0.0042315600000000, -0.0013196500000000, -0.0006920600000000 ] - [ 0.0037360600000000, -0.0012984400000000, -0.0003856500000000 ] - [ 0.0037774300000000, -0.0017579900000000, -0.0001206800000000 ] - [ 0.0031970300000000, -0.0013037700000000, -0.0001834100000000 ] - [ 0.0037163100000000, -0.0015866200000000, 0.0005119300000000 ] - [ 0.0024993400000000, -0.0009793300000000, 0.0002422800000000 ] - [ 0.0021197100000000, 0.0002069500000000, 0.0016352000000000 ] - [ 0.0001692700000000, 0.0023786900000000, 0.0028541200000000 ] - [ 0.0013036600000000, -0.0006435500000000, -0.0007331600000000 ] - [ 0.0018157800000000, 0.0003304800000000, -0.0009183200000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0241605200000000, 0.0226155100000000, 0.0146406300000000 ] - [ -0.0469643000000000, 0.0225494900000000, -0.0069349400000000 ] - [ 0.0055281500000000, 0.0011928500000000, -0.0024168000000000 ] - [ -0.0016933800000000, 0.0011958400000000, 0.0012655800000000 ] - [ -0.0091591200000000, -0.0383239200000000, -0.0122419400000000 ] - [ 0.0027432000000000, 0.0134051100000000, 0.0004124900000000 ] - [ 0.0025537800000000, -0.0154998700000000, -0.0025284700000000 ] - [ 0.0010678500000000, 0.0108257600000000, -0.0011542800000000 ] - [ -0.0116373300000000, -0.2894003600000000, -0.0354001600000000 ] - [ -0.0036058800000000, 0.0337249400000000, 0.0028671000000000 ] - [ 0.0053362800000000, -0.0184418700000000, -0.0032523000000000 ] - [ -0.0052708300000000, 0.0155071500000000, -0.0011648500000000 ] - [ 0.0137977700000000, 0.0383376000000000, -0.0585991700000000 ] - [ 0.0066232200000000, 0.0274778800000000, 0.0305029400000000 ] - [ 0.0102731900000000, 0.0381476200000000, 0.0405184600000000 ] - [ 0.0125971600000000, 0.0274527100000000, -0.0464554000000000 ] - [ 0.0029994100000000, -0.0030419400000000, 0.0002535500000000 ] - [ -0.0007487400000000, 0.0032292100000000, -0.0013521100000000 ] - [ 0.0008875800000000, -0.0008897700000000, 0.0004370400000000 ] - [ -0.0005735900000000, 0.0020247500000000, -0.0003228100000000 ] - [ -0.0016615400000000, -0.0019216300000000, -0.0010995900000000 ] - [ 0.0030439800000000, 0.0011395400000000, 0.0013142200000000 ] - [ -0.0007407500000000, -0.0009941200000000, -0.0007738600000000 ] - [ 0.0005384400000000, 0.0000769700000000, -0.0007745800000000 ] - [ -0.0004187500000000, -0.0001641300000000, 0.0003127000000000 ] - [ -0.0000424400000000, -0.0001624800000000, -0.0002446900000000 ] - [ -0.0000376300000000, -0.0000840300000000, 0.0002085200000000 ] - [ -0.0006756400000000, -0.0000812400000000, -0.0003880000000000 ] - [ 0.0001132700000000, -0.0006023600000000, -0.0000302700000000 ] - [ -0.0004445400000000, 0.0008836300000000, 0.0003595300000000 ] - [ 0.0000088700000000, -0.0006014500000000, -0.0001118800000000 ] - [ -0.0009349200000000, 0.0008814700000000, -0.0002914900000000 ] - [ 0.0063180200000000, -0.0126738200000000, 0.0121382400000000 ] - [ -0.0026480400000000, 0.0062494700000000, 0.0017122400000000 ] - [ -0.0009829500000000, -0.0077137000000000, -0.0021449100000000 ] - [ -0.0019395200000000, 0.0047505900000000, 0.0010826700000000 ] - [ -0.0130217700000000, 0.0074941800000000, -0.0015829400000000 ] - [ 0.0198970700000000, 0.0133014700000000, -0.0056538000000000 ] - [ -0.0034290300000000, -0.0002179900000000, -0.0029179400000000 ] - [ 0.0015040800000000, -0.0003456800000000, 0.0022849600000000 ] - [ 0.0009653800000000, 0.0000020300000000, 0.0003362300000000 ] - [ -0.0001470600000000, 0.0003269800000000, 0.0001454300000000 ] - [ 0.0015933000000000, -0.0004805600000000, 0.0014686900000000 ] - [ -0.0013225000000000, 0.0005191200000000, -0.0020287100000000 ] - [ 0.0013322600000000, -0.0024319300000000, -0.0007974900000000 ] - [ -0.0007254500000000, 0.0025033900000000, 0.0015477000000000 ] - [ 0.0004035100000000, -0.0007899300000000, -0.0002021600000000 ] - [ 0.0003436800000000, 0.0006709200000000, 0.0000568400000000 ] - [ -0.0208200400000000, 0.0385738000000000, -0.0095762800000000 ] - [ -0.0002532500000000, -0.0115399300000000, 0.0017126800000000 ] - [ 0.0007745000000000, 0.0062859600000000, -0.0107978300000000 ] - [ -0.0013606600000000, -0.0116191400000000, 0.0119630300000000 ] - [ -0.0027071800000000, -0.0074537500000000, 0.0047234000000000 ] - [ 0.0052919900000000, 0.0066579200000000, -0.0038012600000000 ] - [ -0.0012529400000000, -0.0026841500000000, 0.0025575300000000 ] - [ -0.0001753800000000, 0.0005342100000000, 0.0002487500000000 ] - [ -0.0018313300000000, 0.0107422900000000, 0.0025940400000000 ] - [ 0.0010804100000000, -0.0099872500000000, -0.0046745000000000 ] - [ -0.0009960800000000, 0.0024404200000000, 0.0012695600000000 ] - [ 0.0008980000000000, -0.0017308200000000, -0.0006486100000000 ] - [ -0.0309532800000000, 0.0593442300000000, 0.0748774200000000 ] - [ -0.0008870200000000, -0.0145399800000000, -0.0057131900000000 ] - [ -0.0003109300000000, 0.0100142500000000, 0.0125384600000000 ] - [ 0.0002909800000000, -0.0080180800000000, -0.0071020200000000 ] - [ 0.0016998500000000, 0.0034087000000000, 0.0022557900000000 ] - [ -0.0019689200000000, -0.0017073100000000, -0.0008022100000000 ] - [ 0.0000921400000000, 0.0017595300000000, -0.0001097800000000 ] - [ -0.0013938500000000, -0.0013406700000000, 0.0000660100000000 ] - [ 0.0521418200000000, 0.0428743900000000, 0.0096235400000000 ] - [ -0.0014293400000000, -0.0067558800000000, -0.0009929500000000 ] - [ 0.0022039300000000, 0.0031363400000000, 0.0004836600000000 ] - [ -0.0003961000000000, -0.0024461200000000, 0.0008418400000000 ] - [ -0.0074015200000000, 0.0016389800000000, -0.0020775400000000 ] - [ 0.0104696700000000, -0.0054626000000000, 0.0032453300000000 ] - [ -0.0022325200000000, 0.0005483200000000, -0.0001414900000000 ] - [ 0.0003434300000000, -0.0005942700000000, -0.0001152900000000 ] - [ 0.0068791800000000, 0.0052112500000000, -0.0110768400000000 ] - [ -0.0056060900000000, -0.0144873500000000, -0.0055425100000000 ] - [ 0.0007072100000000, 0.0075823000000000, 0.0093471300000000 ] - [ -0.0046012800000000, -0.0093045600000000, -0.0059641000000000 ] - [ 0.0131153700000000, -0.0082153600000000, 0.0051356300000000 ] - [ -0.0049112800000000, 0.0004597200000000, -0.0055759200000000 ] - [ 0.0090926600000000, -0.0089978500000000, -0.0016349200000000 ] - [ -0.0057718800000000, 0.0021397400000000, 0.0065274700000000 ] - [ -0.0074684500000000, 0.0054235900000000, 0.0033839800000000 ] - [ 0.0039634700000000, -0.0052548300000000, -0.0008964500000000 ] - [ -0.0083418800000000, 0.0038844200000000, -0.0071199800000000 ] - [ 0.0055942900000000, -0.0098976300000000, 0.0071649900000000 ] - [ -0.0009843300000000, -0.0124623500000000, 0.0025399200000000 ] - [ -0.0126934400000000, 0.0397413900000000, -0.0135011400000000 ] - [ -0.0034332300000000, -0.0065086500000000, 0.0094617800000000 ] - [ -0.0002561100000000, 0.0031811600000000, -0.0060914700000000 ] - [ 0.0011468400000000, 0.0039971200000000, 0.0020280200000000 ] - [ -0.0010397400000000, -0.0014023000000000, -0.0001136200000000 ] - [ 0.0046363700000000, 0.0079908200000000, 0.0099389500000000 ] - [ -0.0016174400000000, -0.0059737700000000, -0.0051953200000000 ] - [ -0.0000239200000000, 0.0004713500000000, -0.0004970300000000 ] - [ 0.0001397600000000, 0.0001502500000000, -0.0004025500000000 ] - [ 0.0002434300000000, 0.0004304700000000, -0.0003478500000000 ] - [ -0.0001145600000000, -0.0000253200000000, -0.0001657600000000 ] - [ 0.0005914700000000, 0.0009095300000000, -0.0000613100000000 ] - [ -0.0014849900000000, -0.0018373000000000, 0.0010277600000000 ] - [ 0.0001081200000000, -0.0000380900000000, 0.0003869100000000 ] - [ -0.0003795100000000, -0.0010090800000000, 0.0009203000000000 ] - [ 0.0008068900000000, 0.0004296600000000, -0.0000461400000000 ] - [ -0.0000404100000000, 0.0002821800000000, 0.0000382000000000 ] - [ 0.0005767700000000, 0.0003866500000000, -0.0000146300000000 ] - [ 0.0004800400000000, 0.0003289900000000, -0.0000251700000000 ] - [ 0.0001611500000000, -0.0004549800000000, -0.0004143200000000 ] - [ -0.0000008200000000, -0.0000412100000000, -0.0002435600000000 ] - [ 0.0001059600000000, -0.0004624000000000, -0.0005279300000000 ] - [ -0.0000342500000000, -0.0000898700000000, -0.0002435700000000 ] - [ 0.0021576800000000, -0.0002621000000000, 0.0016708400000000 ] - [ -0.0042912700000000, 0.0006048900000000, -0.0032411200000000 ] - [ 0.0005438000000000, -0.0003100700000000, 0.0006175000000000 ] - [ -0.0001323700000000, 0.0016171500000000, -0.0006380200000000 ] - [ 0.0000711400000000, 0.0001355900000000, -0.0000452900000000 ] - [ 0.0001333300000000, -0.0001261700000000, 0.0000381000000000 ] - [ -0.0003786800000000, 0.0002119100000000, -0.0003508400000000 ] - [ 0.0005074700000000, -0.0005105100000000, 0.0007799600000000 ] - [ -0.0049499500000000, 0.0035411200000000, 0.0018034900000000 ] - [ 0.0026822400000000, -0.0042029900000000, -0.0008793300000000 ] - [ -0.0014486400000000, 0.0001720200000000, -0.0007174700000000 ] - [ 0.0013258800000000, -0.0014744000000000, 0.0000474700000000 ] - [ 0.0003502900000000, 0.0002678900000000, -0.0000089900000000 ] - [ -0.0010682600000000, -0.0005273100000000, -0.0002295000000000 ] - [ 0.0000987100000000, 0.0002030200000000, 0.0000678600000000 ] - [ -0.0001636900000000, -0.0000395400000000, -0.0000679800000000 ] - [ -0.0002888400000000, 0.0003285400000000, 0.0001062700000000 ] - [ 0.0001153000000000, -0.0001531300000000, -0.0000037200000000 ] - [ -0.0005196900000000, 0.0007266200000000, 0.0001930800000000 ] - [ 0.0011442900000000, -0.0007649400000000, 0.0001562900000000 ] - [ 0.0000127000000000, 0.0002038600000000, -0.0004670900000000 ] - [ 0.0009237000000000, -0.0008165300000000, 0.0002133100000000 ] - [ 0.0000781000000000, -0.0003204100000000, 0.0003065700000000 ] - [ 0.0008353900000000, -0.0007129100000000, 0.0001431500000000 ] - [ -0.0006537400000000, 0.0004738400000000, 0.0000145300000000 ] - [ 0.0001991000000000, -0.0003845700000000, -0.0000118600000000 ] - [ -0.0004515700000000, 0.0003093000000000, -0.0002117700000000 ] - [ 0.0002007600000000, -0.0003720100000000, -0.0000116900000000 ] - [ -0.0006722300000000, 0.0013777300000000, 0.0011054200000000 ] - [ -0.0000003000000000, -0.0007000400000000, -0.0003289800000000 ] - [ 0.0000082100000000, 0.0016439300000000, 0.0012867200000000 ] - [ -0.0006349100000000, -0.0003802600000000, 0.0010158100000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0232893300000000, -0.0216481600000000, -0.0151346600000000 ] - [ 0.0478010200000000, -0.0217136400000000, 0.0064178500000000 ] - [ -0.0047920400000000, -0.0003165600000000, 0.0017628700000000 ] - [ 0.0024283600000000, -0.0003136800000000, -0.0019138700000000 ] - [ 0.0098672200000000, 0.0374047400000000, 0.0115924500000000 ] - [ -0.0019746100000000, -0.0142694700000000, -0.0010594200000000 ] - [ -0.0018304100000000, 0.0146295800000000, 0.0019115400000000 ] - [ -0.0003377700000000, -0.0116962200000000, 0.0005454900000000 ] - [ 0.0125642600000000, 0.2885546200000000, 0.0324717400000000 ] - [ 0.0028372100000000, -0.0339975800000000, -0.0028793300000000 ] - [ -0.0061196800000000, 0.0182366600000000, 0.0031113100000000 ] - [ 0.0044931600000000, -0.0157590600000000, 0.0010771900000000 ] - [ -0.0145163200000000, -0.0379215300000000, 0.0581572400000000 ] - [ -0.0074108000000000, -0.0272185100000000, -0.0307848800000000 ] - [ -0.0111167300000000, -0.0381117700000000, -0.0406378400000000 ] - [ -0.0133343000000000, -0.0272454200000000, 0.0465366900000000 ] - [ -0.0022310000000000, 0.0039015500000000, -0.0008715800000000 ] - [ 0.0014978000000000, -0.0023329300000000, 0.0007252100000000 ] - [ -0.0001288000000000, 0.0017661500000000, -0.0010550300000000 ] - [ 0.0013173000000000, -0.0011396600000000, -0.0003040500000000 ] - [ 0.0024008800000000, 0.0010286500000000, 0.0004691400000000 ] - [ -0.0022894900000000, -0.0020169200000000, -0.0019269200000000 ] - [ 0.0014889400000000, 0.0001099300000000, 0.0001485100000000 ] - [ 0.0002125800000000, -0.0009549400000000, 0.0001424000000000 ] - [ -0.0003225900000000, -0.0000793000000000, -0.0003738700000000 ] - [ -0.0006930400000000, -0.0000777800000000, 0.0001800800000000 ] - [ -0.0007072400000000, -0.0001601300000000, -0.0002727400000000 ] - [ -0.0000653200000000, -0.0001574700000000, 0.0003221600000000 ] - [ -0.0008556300000000, 0.0008416300000000, -0.0000380800000000 ] - [ -0.0002969800000000, -0.0006384600000000, -0.0004239300000000 ] - [ -0.0007489300000000, 0.0008424300000000, 0.0000480500000000 ] - [ 0.0001955600000000, -0.0006409500000000, 0.0002300000000000 ] - [ -0.0060508100000000, 0.0126903400000000, -0.0120380800000000 ] - [ 0.0028127200000000, -0.0062420700000000, -0.0017140200000000 ] - [ 0.0011879500000000, 0.0077411900000000, 0.0021300500000000 ] - [ 0.0021359700000000, -0.0047469000000000, -0.0010900800000000 ] - [ 0.0131900900000000, -0.0075027100000000, 0.0016186800000000 ] - [ -0.0197323200000000, -0.0132830600000000, 0.0056489700000000 ] - [ 0.0036150400000000, 0.0002023400000000, 0.0029153100000000 ] - [ -0.0013177000000000, 0.0003570900000000, -0.0022815800000000 ] - [ -0.0007632300000000, -0.0000037400000000, -0.0003353800000000 ] - [ 0.0003485400000000, -0.0003263000000000, -0.0001444900000000 ] - [ -0.0013971700000000, 0.0004760400000000, -0.0014568900000000 ] - [ 0.0015200800000000, -0.0005208600000000, 0.0020384600000000 ] - [ -0.0011277600000000, 0.0024316700000000, 0.0008054400000000 ] - [ 0.0009313500000000, -0.0025005800000000, -0.0015411400000000 ] - [ -0.0002071500000000, 0.0007912400000000, 0.0002019200000000 ] - [ -0.0001481700000000, -0.0006698500000000, -0.0000533200000000 ] - [ 0.0199673200000000, -0.0356030900000000, 0.0064373300000000 ] - [ 0.0004079700000000, 0.0121084000000000, -0.0023317400000000 ] - [ -0.0006133800000000, -0.0057905200000000, 0.0101888800000000 ] - [ 0.0015211300000000, 0.0121306300000000, -0.0126698400000000 ] - [ 0.0020254100000000, 0.0063182100000000, -0.0032255500000000 ] - [ -0.0059829700000000, -0.0077507800000000, 0.0052919100000000 ] - [ 0.0005876900000000, 0.0015626100000000, -0.0010523400000000 ] - [ -0.0004915300000000, -0.0016604200000000, 0.0012586900000000 ] - [ 0.0030390400000000, -0.0099999100000000, -0.0025686500000000 ] - [ -0.0001152800000000, 0.0107349400000000, 0.0046526600000000 ] - [ 0.0020050700000000, -0.0016885100000000, -0.0012749700000000 ] - [ 0.0001049200000000, 0.0024752200000000, 0.0006339400000000 ] - [ 0.0299271000000000, -0.0584812300000000, -0.0721879500000000 ] - [ 0.0010591700000000, 0.0140065900000000, 0.0049630500000000 ] - [ 0.0004720800000000, -0.0105091700000000, -0.0131804100000000 ] - [ -0.0001309400000000, 0.0075019900000000, 0.0064131100000000 ] - [ -0.0023452700000000, -0.0030965500000000, -0.0024453700000000 ] - [ 0.0013138000000000, 0.0020112300000000, 0.0006081900000000 ] - [ -0.0007206800000000, -0.0014443800000000, -0.0000823100000000 ] - [ 0.0007621500000000, 0.0016538500000000, -0.0002582800000000 ] - [ -0.0535068100000000, -0.0431763700000000, -0.0097017200000000 ] - [ 0.0017116000000000, 0.0066500800000000, 0.0011974800000000 ] - [ -0.0019680500000000, -0.0032529800000000, -0.0002678200000000 ] - [ 0.0006541700000000, 0.0023473200000000, -0.0006182700000000 ] - [ 0.0067478400000000, -0.0019430400000000, 0.0018761300000000 ] - [ -0.0111200000000000, 0.0051606400000000, -0.0034377900000000 ] - [ 0.0015887500000000, -0.0008551500000000, -0.0000479900000000 ] - [ -0.0009732800000000, 0.0002782900000000, -0.0000729100000000 ] - [ -0.0071281600000000, -0.0053704900000000, 0.0107852900000000 ] - [ 0.0053290700000000, 0.0144853000000000, 0.0054616800000000 ] - [ -0.0009548800000000, -0.0075706400000000, -0.0094626000000000 ] - [ 0.0043420900000000, 0.0093191600000000, 0.0058544300000000 ] - [ -0.0128563300000000, 0.0083219900000000, -0.0049107600000000 ] - [ 0.0051823800000000, -0.0003867100000000, 0.0057747500000000 ] - [ -0.0089011400000000, 0.0091437300000000, 0.0018367800000000 ] - [ 0.0060551500000000, -0.0020290600000000, -0.0063530700000000 ] - [ 0.0084572500000000, -0.0061634100000000, -0.0033658100000000 ] - [ -0.0029645000000000, 0.0045036600000000, 0.0008969600000000 ] - [ 0.0093792100000000, -0.0046334000000000, 0.0070803100000000 ] - [ -0.0045878600000000, 0.0091310300000000, -0.0071735700000000 ] - [ 0.0007420200000000, 0.0124835300000000, -0.0027401900000000 ] - [ 0.0141155000000000, -0.0426599000000000, 0.0158440100000000 ] - [ 0.0031693500000000, 0.0064929400000000, -0.0095679600000000 ] - [ -0.0000000900000000, -0.0032072900000000, 0.0060025900000000 ] - [ -0.0018151500000000, -0.0028695900000000, -0.0005128400000000 ] - [ 0.0003683100000000, 0.0025247500000000, 0.0016233700000000 ] - [ -0.0053038000000000, -0.0068650800000000, -0.0084484000000000 ] - [ 0.0009463600000000, 0.0070664600000000, 0.0066652300000000 ] - [ 0.0001745000000000, 0.0000456100000000, -0.0002074700000000 ] - [ 0.0000151200000000, 0.0003680200000000, -0.0003049900000000 ] - [ -0.0000908800000000, 0.0000874600000000, -0.0003583700000000 ] - [ 0.0002701500000000, 0.0005457900000000, -0.0005444700000000 ] - [ -0.0012536500000000, -0.0020174400000000, 0.0015520900000000 ] - [ 0.0008093400000000, 0.0007157500000000, 0.0004686200000000 ] - [ -0.0007766300000000, -0.0010753100000000, 0.0011093400000000 ] - [ -0.0002879100000000, -0.0001123400000000, 0.0005808400000000 ] - [ 0.0001837700000000, 0.0003109600000000, 0.0000322200000000 ] - [ 0.0010259400000000, 0.0004568900000000, -0.0000536600000000 ] - [ 0.0004155500000000, 0.0003545900000000, 0.0000018300000000 ] - [ 0.0005067700000000, 0.0004090500000000, 0.0000092500000000 ] - [ -0.0000075000000000, -0.0000648100000000, -0.0002949800000000 ] - [ 0.0001527200000000, -0.0004777200000000, -0.0004632300000000 ] - [ 0.0000499500000000, -0.0000564800000000, -0.0001793900000000 ] - [ 0.0001865500000000, -0.0004279900000000, -0.0004607400000000 ] - [ -0.0027803800000000, 0.0005778200000000, -0.0018580100000000 ] - [ 0.0036428200000000, -0.0002979600000000, 0.0030398100000000 ] - [ -0.0011850400000000, 0.0006199200000000, -0.0008084300000000 ] - [ -0.0005074000000000, -0.0013171900000000, 0.0004501200000000 ] - [ 0.0001625400000000, -0.0002459100000000, 0.0002575700000000 ] - [ 0.0000954500000000, 0.0000144500000000, 0.0001732900000000 ] - [ 0.0006146600000000, -0.0003198700000000, 0.0005617300000000 ] - [ -0.0002777500000000, 0.0004003200000000, -0.0005699300000000 ] - [ 0.0042834700000000, -0.0038371300000000, -0.0019850600000000 ] - [ -0.0033125800000000, 0.0038769400000000, 0.0006870700000000 ] - [ 0.0007959700000000, -0.0004915100000000, 0.0005087700000000 ] - [ -0.0019629700000000, 0.0011661100000000, -0.0002361800000000 ] - [ -0.0006185700000000, -0.0002563600000000, -0.0001012400000000 ] - [ 0.0007920400000000, 0.0005344600000000, 0.0001158700000000 ] - [ -0.0003679300000000, -0.0001934700000000, -0.0001791200000000 ] - [ -0.0001072800000000, 0.0000482000000000, -0.0000441200000000 ] - [ 0.0005295900000000, -0.0002214100000000, 0.0001103300000000 ] - [ 0.0001161400000000, 0.0002644200000000, 0.0002150500000000 ] - [ 0.0007564500000000, -0.0006203500000000, 0.0000176500000000 ] - [ -0.0009230000000000, 0.0008785200000000, 0.0000499200000000 ] - [ 0.0009739200000000, -0.0009401500000000, 0.0004513700000000 ] - [ 0.0000677700000000, 0.0000747400000000, -0.0002269900000000 ] - [ 0.0009069800000000, -0.0004186700000000, -0.0003190800000000 ] - [ 0.0001552700000000, -0.0000287600000000, -0.0001568500000000 ] - [ 0.0003790400000000, -0.0004807500000000, -0.0001262600000000 ] - [ -0.0004700300000000, 0.0003754000000000, -0.0001005000000000 ] - [ 0.0001786900000000, -0.0003193500000000, 0.0001002300000000 ] - [ -0.0004691700000000, 0.0003602200000000, -0.0000987600000000 ] - [ -0.0000015600000000, -0.0002554200000000, 0.0003942600000000 ] - [ -0.0006653400000000, 0.0018112700000000, 0.0018221600000000 ] - [ -0.0006765000000000, -0.0005205200000000, 0.0002151600000000 ] - [ -0.0000416200000000, 0.0014954900000000, 0.0004880600000000 ]- atom: 9 displacement: [ -0.0002521786343742, 0.0000000000000000, 0.0099968197911318 ] forces: - [ 0.0112149100000000, 0.0059443500000000, -0.0101909200000000 ] - [ 0.0329922100000000, -0.0138203000000000, -0.0096243300000000 ] - [ -0.0043710600000000, -0.0011907800000000, 0.0098658800000000 ] - [ -0.0036955300000000, 0.0026443500000000, 0.0098846500000000 ] - [ -0.0488818400000000, -0.0120679400000000, -0.0114360600000000 ] - [ -0.0074334400000000, 0.0002415900000000, -0.0085819500000000 ] - [ 0.0101959500000000, -0.0027302400000000, 0.0144419600000000 ] - [ 0.0065860500000000, -0.0013006200000000, 0.0068635800000000 ] - [ 0.0041437200000000, -0.0364007900000000, -0.3076440100000000 ] - [ -0.0054914100000000, 0.0028377900000000, -0.0252684500000000 ] - [ -0.0002765100000000, -0.0034233700000000, 0.0294518800000000 ] - [ -0.0012174800000000, -0.0011205000000000, 0.0194619800000000 ] - [ -0.0111994200000000, -0.0400211800000000, 0.0508177800000000 ] - [ 0.0151797200000000, 0.0467034400000000, 0.0336489000000000 ] - [ 0.0157983400000000, 0.0588313900000000, 0.0516126600000000 ] - [ -0.0099355000000000, -0.0303877600000000, 0.0330981100000000 ] - [ 0.0000499700000000, -0.0000669300000000, -0.0021567800000000 ] - [ -0.0006735900000000, 0.0014534000000000, -0.0023946900000000 ] - [ 0.0034775300000000, -0.0002924900000000, 0.0025145600000000 ] - [ 0.0017982300000000, 0.0004266800000000, 0.0013918900000000 ] - [ 0.0013524400000000, -0.0011769600000000, -0.0020330100000000 ] - [ 0.0036736400000000, 0.0011101900000000, -0.0005300400000000 ] - [ -0.0004408900000000, -0.0008727400000000, 0.0009248200000000 ] - [ -0.0010842000000000, -0.0009070600000000, 0.0006433300000000 ] - [ -0.0002876200000000, -0.0003399700000000, -0.0008131400000000 ] - [ 0.0002397400000000, 0.0002225400000000, -0.0008020700000000 ] - [ 0.0004538500000000, -0.0004678200000000, 0.0009643600000000 ] - [ 0.0007670000000000, 0.0001123400000000, 0.0009717900000000 ] - [ 0.0003928500000000, 0.0002085900000000, -0.0000993900000000 ] - [ 0.0000630000000000, 0.0003681000000000, 0.0001031500000000 ] - [ 0.0000086800000000, 0.0001281700000000, -0.0001087000000000 ] - [ 0.0004549600000000, -0.0002728900000000, 0.0001115400000000 ] - [ 0.0175879800000000, 0.0020771400000000, 0.0075017900000000 ] - [ 0.0043510000000000, -0.0017702000000000, -0.0020475000000000 ] - [ -0.0093284400000000, -0.0018351700000000, 0.0052229500000000 ] - [ -0.0044839300000000, 0.0021132300000000, 0.0026416000000000 ] - [ -0.0075730600000000, 0.0041845800000000, -0.0103806000000000 ] - [ 0.0011614200000000, 0.0034818200000000, -0.0096959100000000 ] - [ 0.0021972800000000, -0.0000538000000000, 0.0055941400000000 ] - [ 0.0019202500000000, 0.0002909100000000, 0.0057498400000000 ] - [ -0.0014047000000000, -0.0010137800000000, 0.0004022100000000 ] - [ -0.0008983300000000, 0.0001580900000000, -0.0003768800000000 ] - [ 0.0019048800000000, 0.0004690900000000, 0.0001366800000000 ] - [ 0.0021427600000000, -0.0001116300000000, 0.0012132200000000 ] - [ 0.0002873900000000, -0.0001333200000000, -0.0022533900000000 ] - [ 0.0012614800000000, -0.0007796900000000, -0.0017992000000000 ] - [ 0.0003564900000000, 0.0002294900000000, 0.0018530200000000 ] - [ 0.0001600100000000, 0.0000468500000000, 0.0013281800000000 ] - [ 0.0207997700000000, -0.0225634000000000, 0.0269337900000000 ] - [ -0.0020902600000000, -0.0116706700000000, 0.0099616700000000 ] - [ 0.0015088400000000, 0.0087083400000000, -0.0203289300000000 ] - [ 0.0020443800000000, 0.0092429700000000, -0.0116011800000000 ] - [ -0.0005017200000000, -0.0038056200000000, 0.0055196100000000 ] - [ 0.0006159600000000, -0.0078811000000000, 0.0139440900000000 ] - [ -0.0002612000000000, 0.0028504300000000, -0.0042740600000000 ] - [ -0.0004608300000000, 0.0033035800000000, -0.0051835700000000 ] - [ -0.0137555600000000, -0.0018727700000000, 0.0189398600000000 ] - [ 0.0009491100000000, 0.0048444400000000, 0.0063598500000000 ] - [ 0.0004298700000000, -0.0013852100000000, -0.0053598600000000 ] - [ 0.0002988600000000, -0.0015688200000000, -0.0043345600000000 ] - [ -0.0439569000000000, 0.0569488200000000, 0.1059156800000000 ] - [ 0.0015849400000000, 0.0092508100000000, 0.0070970000000000 ] - [ 0.0009163100000000, -0.0089324900000000, -0.0188611800000000 ] - [ 0.0005526300000000, -0.0103510800000000, -0.0127746300000000 ] - [ 0.0075087800000000, 0.0037380600000000, 0.0038875000000000 ] - [ 0.0017764400000000, 0.0007170900000000, 0.0013077800000000 ] - [ -0.0043012100000000, -0.0009867200000000, -0.0020018800000000 ] - [ -0.0024820300000000, -0.0003998000000000, -0.0016238300000000 ] - [ 0.0245432100000000, 0.0132592700000000, 0.0220784100000000 ] - [ 0.0005156700000000, 0.0009848100000000, 0.0048547000000000 ] - [ -0.0006259100000000, 0.0011355900000000, -0.0042737100000000 ] - [ 0.0001372100000000, 0.0005696000000000, -0.0034670400000000 ] - [ -0.0023402500000000, 0.0005134900000000, 0.0007513700000000 ] - [ -0.0078305100000000, 0.0034246700000000, -0.0016299000000000 ] - [ 0.0009591100000000, -0.0005623800000000, -0.0010796600000000 ] - [ 0.0010915800000000, -0.0009969000000000, -0.0007086700000000 ] - [ -0.0028969300000000, -0.0062461700000000, 0.0082910800000000 ] - [ 0.0056157800000000, 0.0100399000000000, 0.0065184500000000 ] - [ -0.0009915700000000, -0.0011511400000000, -0.0098742500000000 ] - [ -0.0063050600000000, -0.0107716600000000, -0.0098166600000000 ] - [ -0.0112017000000000, 0.0065802500000000, -0.0049317500000000 ] - [ -0.0080049200000000, -0.0008513000000000, -0.0049974600000000 ] - [ 0.0134550900000000, -0.0109698100000000, -0.0007105100000000 ] - [ 0.0084071100000000, 0.0041480800000000, -0.0015370400000000 ] - [ 0.0090195200000000, 0.0022122000000000, -0.0051321900000000 ] - [ 0.0062254200000000, -0.0057539200000000, -0.0020967600000000 ] - [ -0.0114040200000000, -0.0005711600000000, -0.0033920700000000 ] - [ -0.0037641800000000, 0.0053251200000000, -0.0037674500000000 ] - [ -0.0047711900000000, -0.0113140100000000, 0.0092656000000000 ] - [ 0.0077619600000000, -0.0130611200000000, 0.0248853400000000 ] - [ 0.0031485600000000, 0.0050645100000000, -0.0097339200000000 ] - [ 0.0011304500000000, 0.0019027200000000, -0.0095647900000000 ] - [ 0.0033942000000000, -0.0015857900000000, -0.0026584500000000 ] - [ 0.0009564400000000, 0.0010028400000000, 0.0006325100000000 ] - [ -0.0051583800000000, -0.0004844000000000, -0.0027860100000000 ] - [ -0.0019584400000000, -0.0001405400000000, 0.0009571500000000 ] - [ -0.0000200500000000, 0.0000508800000000, -0.0000246500000000 ] - [ 0.0000234400000000, 0.0001541100000000, -0.0000264600000000 ] - [ -0.0002294200000000, 0.0003169100000000, -0.0006475100000000 ] - [ -0.0000834300000000, 0.0005501600000000, -0.0007924200000000 ] - [ -0.0005839100000000, -0.0007901000000000, 0.0021281000000000 ] - [ -0.0010919700000000, -0.0019186500000000, 0.0022614700000000 ] - [ 0.0000831700000000, 0.0003809400000000, -0.0010051200000000 ] - [ -0.0001405500000000, 0.0001348700000000, -0.0005990400000000 ] - [ 0.0004215800000000, 0.0006804200000000, 0.0005781800000000 ] - [ 0.0001049100000000, 0.0006237900000000, 0.0006930600000000 ] - [ 0.0002770400000000, 0.0000519200000000, -0.0005305300000000 ] - [ -0.0000936300000000, -0.0005121200000000, -0.0010173800000000 ] - [ -0.0002014100000000, 0.0000919900000000, 0.0000421600000000 ] - [ -0.0000424800000000, -0.0001592500000000, -0.0000261000000000 ] - [ 0.0000814500000000, -0.0004045600000000, -0.0006687300000000 ] - [ -0.0000388400000000, -0.0005515400000000, -0.0007647700000000 ] - [ -0.0001750300000000, -0.0014463500000000, 0.0028969500000000 ] - [ -0.0036282300000000, -0.0033752400000000, 0.0015820300000000 ] - [ 0.0002689100000000, 0.0016364800000000, -0.0018249000000000 ] - [ 0.0018286800000000, 0.0033670400000000, -0.0026061800000000 ] - [ 0.0005400800000000, -0.0000535800000000, 0.0006192500000000 ] - [ -0.0002263600000000, -0.0005590100000000, 0.0005710700000000 ] - [ -0.0005226800000000, -0.0000161600000000, -0.0004127200000000 ] - [ -0.0007123200000000, 0.0001301100000000, -0.0007056600000000 ] - [ -0.0000761600000000, 0.0006393200000000, 0.0020937000000000 ] - [ 0.0018474900000000, -0.0017478400000000, 0.0000970300000000 ] - [ -0.0038030400000000, -0.0009220300000000, -0.0033736500000000 ] - [ -0.0018440300000000, 0.0000824500000000, -0.0008595600000000 ] - [ -0.0002813500000000, 0.0000158500000000, 0.0002676900000000 ] - [ -0.0009159300000000, -0.0003659900000000, 0.0001732000000000 ] - [ -0.0002083400000000, 0.0000037500000000, -0.0003067900000000 ] - [ -0.0002007100000000, -0.0000460800000000, -0.0004190700000000 ] - [ 0.0000460900000000, -0.0002905600000000, -0.0003687100000000 ] - [ 0.0000861600000000, -0.0001831000000000, -0.0002397800000000 ] - [ -0.0002513400000000, 0.0006145700000000, 0.0006039000000000 ] - [ -0.0010074800000000, 0.0007931200000000, 0.0001933200000000 ] - [ -0.0002333400000000, -0.0000134600000000, -0.0001851600000000 ] - [ 0.0002714000000000, -0.0003474300000000, 0.0000588600000000 ] - [ 0.0004707900000000, -0.0005140000000000, 0.0002018900000000 ] - [ 0.0003206300000000, -0.0002733400000000, 0.0000118600000000 ] - [ -0.0000593300000000, -0.0000789400000000, 0.0002476200000000 ] - [ -0.0000168700000000, -0.0002181900000000, 0.0002171700000000 ] - [ -0.0011815700000000, 0.0005067300000000, -0.0004256200000000 ] - [ -0.0006844000000000, 0.0002897300000000, -0.0003551800000000 ] - [ -0.0016436100000000, 0.0011246600000000, 0.0006313800000000 ] - [ -0.0007302700000000, -0.0000059800000000, 0.0000418000000000 ] - [ 0.0004172000000000, 0.0006684500000000, 0.0010471500000000 ] - [ 0.0000578800000000, 0.0002694100000000, 0.0011480200000000 ]- atom: 9 displacement: [ 0.0002521786343742, 0.0000000000000000, -0.0099968197911318 ] forces: - [ -0.0104625600000000, -0.0050142300000000, 0.0095811700000000 ] - [ -0.0324680600000000, 0.0147497600000000, 0.0090417200000000 ] - [ 0.0051375400000000, 0.0020912000000000, -0.0105367800000000 ] - [ 0.0044522300000000, -0.0017939500000000, -0.0105519600000000 ] - [ 0.0500599700000000, 0.0112774200000000, 0.0108807900000000 ] - [ 0.0081945900000000, -0.0011104400000000, 0.0079975500000000 ] - [ -0.0094180100000000, 0.0018198300000000, -0.0150643600000000 ] - [ -0.0058843700000000, 0.0004349800000000, -0.0075165000000000 ] - [ -0.0035168800000000, 0.0309349300000000, 0.3030648600000000 ] - [ 0.0047223200000000, -0.0030716000000000, 0.0252808600000000 ] - [ -0.0004995600000000, 0.0032275000000000, -0.0296807600000000 ] - [ 0.0004466800000000, 0.0008744700000000, -0.0196309400000000 ] - [ 0.0105123200000000, 0.0405702400000000, -0.0512316400000000 ] - [ -0.0160986500000000, -0.0469141500000000, -0.0340007900000000 ] - [ -0.0166668000000000, -0.0586047500000000, -0.0518040500000000 ] - [ 0.0093710100000000, 0.0305280600000000, -0.0332730800000000 ] - [ 0.0007291900000000, 0.0009258000000000, 0.0015387800000000 ] - [ 0.0014374700000000, -0.0005676300000000, 0.0017701100000000 ] - [ -0.0027268600000000, 0.0011733200000000, -0.0031311900000000 ] - [ -0.0010593500000000, 0.0004556000000000, -0.0020154100000000 ] - [ -0.0006043100000000, 0.0002889900000000, 0.0014139200000000 ] - [ -0.0029273400000000, -0.0019954900000000, -0.0000779800000000 ] - [ 0.0011866600000000, -0.0000061400000000, -0.0015573000000000 ] - [ 0.0018193700000000, 0.0000189600000000, -0.0012878900000000 ] - [ -0.0004509300000000, 0.0001002900000000, 0.0007548500000000 ] - [ -0.0009794900000000, -0.0004666300000000, 0.0007398300000000 ] - [ -0.0012013700000000, 0.0002264700000000, -0.0010314200000000 ] - [ -0.0015133300000000, -0.0003523100000000, -0.0010401400000000 ] - [ -0.0011332700000000, 0.0000296700000000, 0.0000346700000000 ] - [ -0.0008042000000000, -0.0001242100000000, -0.0001662300000000 ] - [ -0.0007507400000000, 0.0001115400000000, 0.0000444900000000 ] - [ -0.0012008800000000, 0.0005145600000000, -0.0001777800000000 ] - [ -0.0174749500000000, -0.0020668000000000, -0.0074259700000000 ] - [ -0.0041815900000000, 0.0017787800000000, 0.0020691300000000 ] - [ 0.0094762100000000, 0.0018728000000000, -0.0052196500000000 ] - [ 0.0046921800000000, -0.0021208500000000, -0.0026630500000000 ] - [ 0.0078095800000000, -0.0042147300000000, 0.0104161100000000 ] - [ -0.0008572300000000, -0.0033744700000000, 0.0096345500000000 ] - [ -0.0020201200000000, 0.0000508200000000, -0.0056052400000000 ] - [ -0.0017476600000000, -0.0002850100000000, -0.0057540900000000 ] - [ 0.0016155800000000, 0.0010223300000000, -0.0004047800000000 ] - [ 0.0011005600000000, -0.0001633900000000, 0.0003834200000000 ] - [ -0.0017122600000000, -0.0004687900000000, -0.0001310900000000 ] - [ -0.0019541000000000, 0.0001075700000000, -0.0012128600000000 ] - [ -0.0000864300000000, 0.0001341600000000, 0.0022754800000000 ] - [ -0.0010686700000000, 0.0007888400000000, 0.0018131600000000 ] - [ -0.0001565400000000, -0.0002272100000000, -0.0018566900000000 ] - [ 0.0000345000000000, -0.0000451900000000, -0.0013297300000000 ] - [ -0.0214403900000000, 0.0252378400000000, -0.0287885900000000 ] - [ 0.0022893600000000, 0.0122374400000000, -0.0107144700000000 ] - [ -0.0013580300000000, -0.0082955400000000, 0.0197658900000000 ] - [ -0.0018903600000000, -0.0087572000000000, 0.0109484000000000 ] - [ -0.0001652500000000, 0.0026740900000000, -0.0040324300000000 ] - [ -0.0013093100000000, 0.0068208400000000, -0.0125468000000000 ] - [ -0.0004063300000000, -0.0039882700000000, 0.0057990700000000 ] - [ -0.0002111500000000, -0.0044275500000000, 0.0066952800000000 ] - [ 0.0141788600000000, 0.0023734400000000, -0.0187572300000000 ] - [ 0.0000509100000000, -0.0041337200000000, -0.0064111300000000 ] - [ 0.0005666200000000, 0.0021338100000000, 0.0053599700000000 ] - [ 0.0007042900000000, 0.0023261100000000, 0.0043407700000000 ] - [ 0.0416624800000000, -0.0521153200000000, -0.1005769100000000 ] - [ -0.0014351700000000, -0.0097880700000000, -0.0078131500000000 ] - [ -0.0007667500000000, 0.0084417000000000, 0.0182799900000000 ] - [ -0.0003914900000000, 0.0098990500000000, 0.0121425700000000 ] - [ -0.0082114700000000, -0.0034497100000000, -0.0040894200000000 ] - [ -0.0024273400000000, -0.0004108300000000, -0.0015083600000000 ] - [ 0.0036671500000000, 0.0013006300000000, 0.0018121500000000 ] - [ 0.0018618800000000, 0.0007162200000000, 0.0014417200000000 ] - [ -0.0240097100000000, -0.0131131800000000, -0.0212952200000000 ] - [ -0.0002600800000000, -0.0010833500000000, -0.0046606700000000 ] - [ 0.0008685500000000, -0.0012485700000000, 0.0044924900000000 ] - [ 0.0001226800000000, -0.0006688100000000, 0.0037013200000000 ] - [ 0.0017110500000000, -0.0008276300000000, -0.0009497900000000 ] - [ 0.0072299700000000, -0.0037501500000000, 0.0014484400000000 ] - [ -0.0016066800000000, 0.0002549000000000, 0.0008927400000000 ] - [ -0.0017273200000000, 0.0006856200000000, 0.0005210400000000 ] - [ 0.0036271900000000, 0.0053108900000000, -0.0101892400000000 ] - [ -0.0058898800000000, -0.0100728000000000, -0.0066530000000000 ] - [ 0.0007302700000000, 0.0011978900000000, 0.0097988700000000 ] - [ 0.0060712500000000, 0.0108488100000000, 0.0097689900000000 ] - [ 0.0114869700000000, -0.0065070400000000, 0.0051483400000000 ] - [ 0.0082910800000000, 0.0009697300000000, 0.0051925200000000 ] - [ -0.0133050600000000, 0.0111472900000000, 0.0009346700000000 ] - [ -0.0081120400000000, -0.0039202900000000, 0.0016864800000000 ] - [ -0.0080547900000000, -0.0029882900000000, 0.0051324900000000 ] - [ -0.0052424700000000, 0.0050365400000000, 0.0020938400000000 ] - [ 0.0124160300000000, -0.0002313800000000, 0.0033411400000000 ] - [ 0.0047816500000000, -0.0061051000000000, 0.0037931000000000 ] - [ 0.0045243800000000, 0.0112954300000000, -0.0094119000000000 ] - [ -0.0071974600000000, 0.0115166000000000, -0.0238296200000000 ] - [ -0.0034258300000000, -0.0051026000000000, 0.0096872400000000 ] - [ -0.0013962900000000, -0.0019141100000000, 0.0095085600000000 ] - [ -0.0040826600000000, 0.0027134000000000, 0.0041689700000000 ] - [ -0.0016283900000000, 0.0001039900000000, 0.0008624300000000 ] - [ 0.0045099300000000, 0.0016408300000000, 0.0043206400000000 ] - [ 0.0012896600000000, 0.0012483500000000, 0.0005399400000000 ] - [ 0.0001714600000000, 0.0004683700000000, -0.0006823400000000 ] - [ 0.0001316700000000, 0.0003649500000000, -0.0006833800000000 ] - [ 0.0003832900000000, 0.0002016400000000, -0.0000576700000000 ] - [ 0.0002390600000000, -0.0000319100000000, 0.0000853500000000 ] - [ -0.0000809800000000, -0.0003194600000000, -0.0006403400000000 ] - [ 0.0004154500000000, 0.0008029700000000, -0.0007721500000000 ] - [ -0.0007492700000000, -0.0014976800000000, 0.0025029500000000 ] - [ -0.0005246600000000, -0.0012533000000000, 0.0021007000000000 ] - [ 0.0005671200000000, 0.0000579700000000, -0.0005938400000000 ] - [ 0.0008833400000000, 0.0001155400000000, -0.0007103500000000 ] - [ 0.0007167800000000, 0.0006903400000000, 0.0005181900000000 ] - [ 0.0010848800000000, 0.0012517900000000, 0.0010018700000000 ] - [ 0.0003562300000000, -0.0006133700000000, -0.0007518100000000 ] - [ 0.0001947900000000, -0.0003585400000000, -0.0006805400000000 ] - [ 0.0000739000000000, -0.0001145900000000, -0.0000384200000000 ] - [ 0.0001906400000000, 0.0000346000000000, 0.0000615000000000 ] - [ -0.0004593100000000, 0.0017647000000000, -0.0030976500000000 ] - [ 0.0030054700000000, 0.0036969300000000, -0.0017914800000000 ] - [ -0.0009103200000000, -0.0013326900000000, 0.0016388700000000 ] - [ -0.0024474000000000, -0.0030552100000000, 0.0024209700000000 ] - [ -0.0003111200000000, -0.0000576700000000, -0.0004101400000000 ] - [ 0.0004593700000000, 0.0004522500000000, -0.0003621900000000 ] - [ 0.0007584100000000, -0.0000947800000000, 0.0006263900000000 ] - [ 0.0009447400000000, -0.0002417300000000, 0.0009197600000000 ] - [ -0.0006077900000000, -0.0009305100000000, -0.0022593000000000 ] - [ -0.0024981700000000, 0.0014417300000000, -0.0002823100000000 ] - [ 0.0031566700000000, 0.0005963300000000, 0.0031625200000000 ] - [ 0.0012091000000000, -0.0003955700000000, 0.0006655100000000 ] - [ 0.0000102400000000, -0.0000063700000000, -0.0003797800000000 ] - [ 0.0006429700000000, 0.0003750100000000, -0.0002883300000000 ] - [ -0.0000599500000000, 0.0000062400000000, 0.0001964400000000 ] - [ -0.0000656400000000, 0.0000584100000000, 0.0003090000000000 ] - [ 0.0001898800000000, 0.0003988900000000, 0.0005849900000000 ] - [ 0.0001432000000000, 0.0002961000000000, 0.0004514600000000 ] - [ 0.0004867000000000, -0.0005102400000000, -0.0003963700000000 ] - [ 0.0012377800000000, -0.0006834700000000, 0.0000149300000000 ] - [ 0.0012219300000000, -0.0007231200000000, 0.0001685600000000 ] - [ 0.0007197900000000, -0.0003920100000000, -0.0000751900000000 ] - [ 0.0005152200000000, -0.0002275500000000, -0.0002105500000000 ] - [ 0.0006716200000000, -0.0004709400000000, -0.0000227500000000 ] - [ -0.0002150300000000, 0.0000721800000000, -0.0003591400000000 ] - [ -0.0002557000000000, 0.0002110700000000, -0.0003293800000000 ] - [ 0.0009104600000000, -0.0005183500000000, 0.0003143100000000 ] - [ 0.0004173100000000, -0.0003021100000000, 0.0002449400000000 ] - [ 0.0009726100000000, -0.0000069800000000, 0.0008634800000000 ] - [ 0.0000648300000000, 0.0011191100000000, 0.0014507100000000 ] - [ -0.0010857000000000, 0.0004544800000000, 0.0004595100000000 ] - [ -0.0007378000000000, 0.0008537200000000, 0.0003642600000000 ]- atom: 33 displacement: [ 0.0099999998410115, 0.0000000000000000, -0.0000017831910382 ] forces: - [ 0.0039604900000000, 0.0018604000000000, 0.0018279700000000 ] - [ 0.0046299000000000, -0.0010555000000000, 0.0016075200000000 ] - [ 0.0041691400000000, 0.0006909600000000, -0.0012190500000000 ] - [ 0.0051257800000000, -0.0004277400000000, -0.0017041200000000 ] - [ 0.0084615400000000, 0.0007902400000000, 0.0000828700000000 ] - [ 0.0050763700000000, -0.0012631000000000, 0.0009716800000000 ] - [ 0.0030420300000000, -0.0001348800000000, 0.0000090300000000 ] - [ 0.0027246000000000, -0.0001941300000000, -0.0001912400000000 ] - [ 0.0207191800000000, 0.0060315200000000, 0.0181205100000000 ] - [ -0.0013377400000000, -0.0028437600000000, 0.0042130200000000 ] - [ 0.0008931000000000, -0.0012237600000000, -0.0094390100000000 ] - [ -0.0016944700000000, -0.0021510400000000, -0.0046547300000000 ] - [ 0.0043917900000000, 0.0132966700000000, -0.0076393100000000 ] - [ 0.0238797300000000, -0.0197448100000000, 0.0015661500000000 ] - [ -0.0008605800000000, 0.0036476400000000, 0.0020621700000000 ] - [ -0.0021899900000000, -0.0012918100000000, 0.0017521900000000 ] - [ 0.0016334800000000, 0.0015072200000000, -0.0096549600000000 ] - [ -0.0009250900000000, 0.0024857600000000, -0.0049372100000000 ] - [ 0.0214245700000000, -0.0057733100000000, 0.0176705500000000 ] - [ -0.0005730400000000, 0.0031778100000000, 0.0039297800000000 ] - [ 0.0050913900000000, -0.0134758300000000, -0.0078508600000000 ] - [ 0.0246199100000000, 0.0193269800000000, 0.0013347400000000 ] - [ -0.0001002600000000, -0.0039564000000000, 0.0017858200000000 ] - [ -0.0014326700000000, 0.0009684500000000, 0.0014768400000000 ] - [ 0.0034141100000000, -0.0003658300000000, -0.0009334200000000 ] - [ 0.0043809500000000, 0.0007383900000000, -0.0014234400000000 ] - [ 0.0032122000000000, -0.0015418000000000, 0.0021055300000000 ] - [ 0.0038875500000000, 0.0013734000000000, 0.0018815700000000 ] - [ 0.0076897500000000, -0.0011087900000000, 0.0003543200000000 ] - [ 0.0043238200000000, 0.0009551600000000, 0.0012522100000000 ] - [ 0.0022927200000000, -0.0001849200000000, 0.0002924900000000 ] - [ 0.0019811400000000, -0.0001252400000000, 0.0000894000000000 ] - [ -0.0717395900000000, 0.0010476100000000, 0.0099711300000000 ] - [ -0.0060502300000000, 0.0000035400000000, -0.0001488500000000 ] - [ -0.0043213900000000, -0.0000000200000000, -0.0005372400000000 ] - [ -0.0028838800000000, -0.0000035000000000, -0.0004065400000000 ] - [ -0.0055217300000000, 0.0009798800000000, -0.0008467200000000 ] - [ -0.0149879600000000, -0.0028491700000000, -0.0038180900000000 ] - [ -0.0055199000000000, -0.0010099200000000, -0.0008398400000000 ] - [ -0.0149875000000000, 0.0028900200000000, -0.0037652000000000 ] - [ 0.0028136900000000, -0.0000015600000000, -0.0000126200000000 ] - [ 0.0028145100000000, 0.0000005200000000, 0.0003478100000000 ] - [ 0.0021707000000000, -0.0000016900000000, 0.0004803600000000 ] - [ 0.0021705800000000, -0.0000034300000000, 0.0005195700000000 ] - [ 0.0025697700000000, 0.0000077600000000, 0.0004696600000000 ] - [ 0.0024052100000000, 0.0000517500000000, 0.0002376000000000 ] - [ 0.0025724100000000, -0.0000050000000000, 0.0004681400000000 ] - [ 0.0024038000000000, -0.0000491200000000, 0.0002360200000000 ] - [ -0.0032820600000000, -0.0068085500000000, 0.0028829400000000 ] - [ 0.0008078200000000, 0.0063716400000000, -0.0058623000000000 ] - [ 0.0006069100000000, -0.0005218900000000, 0.0005459600000000 ] - [ 0.0006493000000000, 0.0003999300000000, -0.0002123000000000 ] - [ -0.0012458700000000, -0.0004192900000000, 0.0003439100000000 ] - [ -0.0017350300000000, 0.0002106200000000, -0.0003130400000000 ] - [ -0.0010623200000000, -0.0008968000000000, 0.0011669200000000 ] - [ -0.0011940600000000, -0.0009206600000000, 0.0012998800000000 ] - [ -0.0035564600000000, -0.0019274200000000, -0.0010649100000000 ] - [ -0.0005455100000000, 0.0002169900000000, -0.0006415900000000 ] - [ -0.0006672900000000, -0.0000126100000000, 0.0004585900000000 ] - [ -0.0001528200000000, 0.0004738800000000, 0.0005787800000000 ] - [ 0.0009171900000000, -0.0049797500000000, -0.0060540000000000 ] - [ 0.0010220300000000, -0.0005378300000000, -0.0013665000000000 ] - [ -0.0019770400000000, -0.0011156700000000, 0.0042478300000000 ] - [ -0.0006626500000000, 0.0054414800000000, 0.0048729600000000 ] - [ -0.0037677400000000, -0.0011197600000000, -0.0007731700000000 ] - [ -0.0028867200000000, -0.0007480500000000, -0.0005986800000000 ] - [ -0.0023530800000000, -0.0005049500000000, -0.0005480700000000 ] - [ -0.0021271600000000, -0.0004602300000000, -0.0004572600000000 ] - [ 0.0015756500000000, -0.0004600000000000, -0.0054449000000000 ] - [ 0.0034004200000000, 0.0010921000000000, 0.0002290400000000 ] - [ 0.0042408100000000, 0.0012663500000000, 0.0026027300000000 ] - [ 0.0035510700000000, 0.0018055200000000, 0.0008086800000000 ] - [ -0.0025470800000000, 0.0005142500000000, -0.0006879500000000 ] - [ -0.0027521600000000, 0.0007698100000000, -0.0007433000000000 ] - [ -0.0026166200000000, 0.0006499900000000, -0.0003562500000000 ] - [ -0.0030232200000000, 0.0008342900000000, -0.0004652200000000 ] - [ -0.0062410200000000, -0.0015451600000000, -0.0014023400000000 ] - [ -0.0019683200000000, -0.0018541400000000, -0.0009353800000000 ] - [ -0.0008233400000000, 0.0003794400000000, 0.0008164900000000 ] - [ -0.0009582700000000, -0.0003525800000000, 0.0002003300000000 ] - [ 0.0054748700000000, -0.0030303700000000, 0.0013377700000000 ] - [ 0.0121502000000000, -0.0107596700000000, -0.0069345900000000 ] - [ 0.0027432600000000, -0.0012470900000000, 0.0004031400000000 ] - [ 0.0029900400000000, 0.0004330300000000, -0.0002490900000000 ] - [ -0.0015478400000000, -0.0004513300000000, 0.0006939700000000 ] - [ -0.0037171300000000, 0.0022123400000000, 0.0003920200000000 ] - [ -0.0003381200000000, -0.0001566000000000, -0.0005495800000000 ] - [ 0.0001095900000000, 0.0002147400000000, -0.0005040300000000 ] - [ -0.0009278000000000, -0.0000430200000000, -0.0005181600000000 ] - [ -0.0028692100000000, 0.0032361700000000, -0.0032007100000000 ] - [ -0.0015849200000000, -0.0010375400000000, 0.0018460700000000 ] - [ -0.0034022500000000, 0.0000070900000000, 0.0026606000000000 ] - [ -0.0016625300000000, 0.0009342900000000, 0.0013630300000000 ] - [ -0.0012899200000000, 0.0008336400000000, 0.0010229800000000 ] - [ -0.0011792600000000, 0.0003630500000000, 0.0002452600000000 ] - [ -0.0009834200000000, 0.0001469700000000, 0.0002521800000000 ] - [ -0.0012501400000000, -0.0001127800000000, 0.0002569900000000 ] - [ -0.0008766600000000, -0.0000183100000000, -0.0000787400000000 ] - [ -0.0007689700000000, 0.0004562900000000, -0.0008578000000000 ] - [ -0.0005718700000000, 0.0006722000000000, -0.0008515100000000 ] - [ -0.0023853800000000, 0.0002938500000000, 0.0053096700000000 ] - [ -0.0010838000000000, -0.0062814200000000, 0.0059893300000000 ] - [ 0.0005012600000000, 0.0041591400000000, -0.0049427900000000 ] - [ 0.0006103400000000, -0.0002816600000000, -0.0002646800000000 ] - [ -0.0009537900000000, 0.0013818400000000, 0.0018775100000000 ] - [ -0.0027737800000000, 0.0003723200000000, 0.0027146600000000 ] - [ -0.0003001100000000, 0.0004039800000000, -0.0004682600000000 ] - [ -0.0022470700000000, -0.0028714000000000, -0.0031530700000000 ] - [ -0.0006509400000000, 0.0000750500000000, 0.0000602500000000 ] - [ -0.0007825600000000, 0.0001023700000000, 0.0001972700000000 ] - [ -0.0008333100000000, -0.0004001800000000, -0.0007578700000000 ] - [ -0.0013218500000000, -0.0010242200000000, -0.0014081600000000 ] - [ 0.0050020300000000, 0.0032244700000000, 0.0011286100000000 ] - [ 0.0110995400000000, 0.0100699200000000, -0.0066738900000000 ] - [ 0.0022893300000000, 0.0014572400000000, 0.0001905100000000 ] - [ 0.0025449600000000, -0.0002296300000000, -0.0004555100000000 ] - [ -0.0021730100000000, -0.0008568900000000, -0.0001533900000000 ] - [ -0.0025895500000000, -0.0010443700000000, -0.0002634900000000 ] - [ -0.0021082900000000, -0.0007238500000000, -0.0004843900000000 ] - [ -0.0023162900000000, -0.0009785500000000, -0.0005415700000000 ] - [ 0.0037845100000000, -0.0014659200000000, 0.0023952700000000 ] - [ 0.0030979700000000, -0.0020006100000000, 0.0006089600000000 ] - [ 0.0008833300000000, 0.0001691100000000, -0.0058969700000000 ] - [ 0.0029458000000000, -0.0012929100000000, 0.0000296200000000 ] - [ -0.0021664800000000, 0.0000852300000000, 0.0006435500000000 ] - [ -0.0043631600000000, -0.0025890500000000, 0.0003478800000000 ] - [ -0.0009708500000000, -0.0002114900000000, -0.0005982800000000 ] - [ -0.0005219600000000, -0.0005790400000000, -0.0005514200000000 ] - [ -0.0033231700000000, 0.0013256000000000, -0.0005679900000000 ] - [ -0.0024461700000000, 0.0009547900000000, -0.0003955500000000 ] - [ -0.0019099200000000, 0.0007109100000000, -0.0003451100000000 ] - [ -0.0016973600000000, 0.0006717000000000, -0.0002580900000000 ] - [ -0.0055876400000000, 0.0012123400000000, -0.0013538300000000 ] - [ -0.0013300600000000, 0.0014682900000000, -0.0008776300000000 ] - [ -0.0001941600000000, -0.0007384400000000, 0.0008580200000000 ] - [ -0.0003311300000000, -0.0000138400000000, 0.0002498900000000 ] - [ -0.0012945800000000, 0.0003787000000000, 0.0004068200000000 ] - [ -0.0007876500000000, -0.0001059200000000, 0.0005298600000000 ] - [ -0.0041967100000000, 0.0022957900000000, -0.0011091100000000 ] - [ -0.0011777900000000, 0.0001472900000000, -0.0006888600000000 ] - [ -0.0037126600000000, 0.0075997100000000, 0.0039635900000000 ] - [ 0.0003989400000000, -0.0055623300000000, -0.0047720900000000 ] - [ 0.0001926000000000, 0.0013321800000000, 0.0016367300000000 ] - [ 0.0002374500000000, 0.0004202600000000, 0.0008921200000000 ]- atom: 33 displacement: [ -0.0099999998410115, 0.0000000000000000, 0.0000017831910382 ] forces: - [ -0.0032224400000000, -0.0009809300000000, -0.0024513100000000 ] - [ -0.0038960700000000, 0.0019354600000000, -0.0022260700000000 ] - [ -0.0034244600000000, 0.0001961900000000, 0.0005887700000000 ] - [ -0.0043916200000000, 0.0012997600000000, 0.0010771000000000 ] - [ -0.0077003500000000, -0.0016703100000000, -0.0006991200000000 ] - [ -0.0043324400000000, 0.0003942700000000, -0.0015976900000000 ] - [ -0.0023022900000000, -0.0007459400000000, -0.0006391900000000 ] - [ -0.0019908500000000, -0.0006858900000000, -0.0004344000000000 ] - [ -0.0214339900000000, -0.0063336200000000, -0.0180160600000000 ] - [ 0.0005622300000000, 0.0026182400000000, -0.0042753100000000 ] - [ -0.0016428600000000, 0.0009473600000000, 0.0093097500000000 ] - [ 0.0009135600000000, 0.0019257600000000, 0.0045903400000000 ] - [ -0.0051019700000000, -0.0129159200000000, 0.0075053900000000 ] - [ -0.0246298800000000, 0.0198875400000000, -0.0016810400000000 ] - [ 0.0000891300000000, -0.0033954300000000, -0.0021309000000000 ] - [ 0.0014228300000000, 0.0015292800000000, -0.0018234600000000 ] - [ -0.0009041300000000, -0.0006633800000000, 0.0090942600000000 ] - [ 0.0016836400000000, -0.0015898200000000, 0.0043087800000000 ] - [ -0.0207286300000000, 0.0065914700000000, -0.0184653500000000 ] - [ 0.0013257700000000, -0.0022832400000000, -0.0045587900000000 ] - [ -0.0044029800000000, 0.0127365900000000, 0.0072916200000000 ] - [ -0.0238908900000000, -0.0203059400000000, -0.0019113900000000 ] - [ 0.0008493400000000, 0.0030869800000000, -0.0024074000000000 ] - [ 0.0021789300000000, -0.0018523300000000, -0.0020993900000000 ] - [ -0.0041796400000000, 0.0001301000000000, 0.0008743000000000 ] - [ -0.0051366600000000, -0.0009887600000000, 0.0013571100000000 ] - [ -0.0039710700000000, 0.0013004800000000, -0.0021746900000000 ] - [ -0.0046390900000000, -0.0016167200000000, -0.0019521000000000 ] - [ -0.0084734700000000, 0.0013514600000000, -0.0004298000000000 ] - [ -0.0050849400000000, -0.0007019100000000, -0.0013173500000000 ] - [ -0.0030511900000000, 0.0004257400000000, -0.0003553800000000 ] - [ -0.0027349800000000, 0.0003668600000000, -0.0001542000000000 ] - [ 0.0719821900000000, 0.0010301500000000, -0.0099869000000000 ] - [ 0.0062399700000000, 0.0000039400000000, 0.0001527300000000 ] - [ 0.0045104900000000, -0.0000006100000000, 0.0005429500000000 ] - [ 0.0030743600000000, -0.0000022100000000, 0.0004097400000000 ] - [ 0.0057098200000000, -0.0010075500000000, 0.0008442100000000 ] - [ 0.0151789500000000, 0.0028879000000000, 0.0037681100000000 ] - [ 0.0057109300000000, 0.0009793600000000, 0.0008517700000000 ] - [ 0.0151788300000000, -0.0028488300000000, 0.0038216200000000 ] - [ -0.0026250900000000, -0.0000012800000000, 0.0000175000000000 ] - [ -0.0026246000000000, 0.0000004900000000, -0.0003443200000000 ] - [ -0.0019808200000000, -0.0000010700000000, -0.0004752000000000 ] - [ -0.0019805000000000, -0.0000020400000000, -0.0005145000000000 ] - [ -0.0023822000000000, -0.0000065000000000, -0.0004646900000000 ] - [ -0.0022141600000000, -0.0000479400000000, -0.0002314900000000 ] - [ -0.0023794900000000, 0.0000078500000000, -0.0004665500000000 ] - [ -0.0022155500000000, 0.0000507300000000, -0.0002325400000000 ] - [ 0.0034576300000000, 0.0073006100000000, -0.0035692400000000 ] - [ -0.0006563300000000, -0.0058629100000000, 0.0051702900000000 ] - [ -0.0004478800000000, 0.0010323900000000, -0.0012404500000000 ] - [ -0.0004936200000000, 0.0001200600000000, -0.0004952300000000 ] - [ 0.0005782200000000, -0.0006998900000000, 0.0011533200000000 ] - [ 0.0010665200000000, -0.0013230000000000, 0.0018047000000000 ] - [ 0.0003954300000000, -0.0002238600000000, 0.0003361600000000 ] - [ 0.0005262900000000, -0.0001980400000000, 0.0001998300000000 ] - [ 0.0045645900000000, 0.0026742800000000, 0.0010466300000000 ] - [ 0.0015427000000000, 0.0005248800000000, 0.0006259600000000 ] - [ 0.0016607000000000, 0.0007580600000000, -0.0004693600000000 ] - [ 0.0011533100000000, 0.0002708300000000, -0.0005925400000000 ] - [ -0.0007551400000000, 0.0044576800000000, 0.0053370100000000 ] - [ -0.0008663000000000, 0.0000186600000000, 0.0006609200000000 ] - [ 0.0021301100000000, 0.0005930100000000, -0.0049144700000000 ] - [ 0.0008273700000000, -0.0059810800000000, -0.0055920100000000 ] - [ 0.0031284900000000, 0.0014302000000000, 0.0005800300000000 ] - [ 0.0022440500000000, 0.0010551100000000, 0.0004034300000000 ] - [ 0.0017137500000000, 0.0008145400000000, 0.0003552200000000 ] - [ 0.0014973800000000, 0.0007731500000000, 0.0002683800000000 ] - [ -0.0010885800000000, 0.0002678900000000, 0.0059052200000000 ] - [ -0.0031413700000000, -0.0011883500000000, -0.0000183200000000 ] - [ -0.0039864700000000, -0.0013648700000000, -0.0023863200000000 ] - [ -0.0032908300000000, -0.0018956600000000, -0.0005967200000000 ] - [ 0.0019100400000000, -0.0008260500000000, 0.0004941400000000 ] - [ 0.0021129300000000, -0.0010781300000000, 0.0005502700000000 ] - [ 0.0019750000000000, -0.0009581500000000, 0.0001643000000000 ] - [ 0.0023958800000000, -0.0011497300000000, 0.0002749400000000 ] - [ 0.0059534200000000, 0.0015899000000000, 0.0012915400000000 ] - [ 0.0016967500000000, 0.0018475800000000, 0.0008151400000000 ] - [ 0.0005597100000000, -0.0003608900000000, -0.0009212300000000 ] - [ 0.0006980500000000, 0.0003652200000000, -0.0003120800000000 ] - [ -0.0051981600000000, 0.0031214100000000, -0.0011178500000000 ] - [ -0.0112977300000000, 0.0099649600000000, 0.0066847800000000 ] - [ -0.0024863500000000, 0.0013553200000000, -0.0001794300000000 ] - [ -0.0027417400000000, -0.0003334600000000, 0.0004661500000000 ] - [ 0.0025328500000000, -0.0002909200000000, -0.0007060500000000 ] - [ 0.0047298200000000, -0.0029678500000000, -0.0004108300000000 ] - [ 0.0013378500000000, -0.0005889800000000, 0.0005357100000000 ] - [ 0.0008875600000000, -0.0009564200000000, 0.0004881300000000 ] - [ 0.0006667300000000, 0.0000268500000000, 0.0004057000000000 ] - [ 0.0026140600000000, -0.0032508700000000, 0.0030904600000000 ] - [ 0.0013209700000000, 0.0010029700000000, -0.0019386700000000 ] - [ 0.0031389900000000, -0.0000052400000000, -0.0027784100000000 ] - [ 0.0009935000000000, 0.0001883700000000, 0.0001419600000000 ] - [ 0.0006228600000000, 0.0002806600000000, 0.0004728800000000 ] - [ 0.0005133000000000, 0.0007566700000000, 0.0012536000000000 ] - [ 0.0003162100000000, 0.0009718700000000, 0.0012473200000000 ] - [ 0.0014066300000000, 0.0006334800000000, -0.0009647100000000 ] - [ 0.0010358400000000, 0.0005342900000000, -0.0006279300000000 ] - [ 0.0009238000000000, 0.0000632200000000, 0.0001503300000000 ] - [ 0.0007280900000000, -0.0001530400000000, 0.0001438000000000 ] - [ 0.0017221000000000, -0.0014156500000000, -0.0038521300000000 ] - [ 0.0004068300000000, 0.0051420200000000, -0.0044763100000000 ] - [ -0.0011715000000000, -0.0052785200000000, 0.0064496500000000 ] - [ -0.0012773600000000, -0.0008377400000000, 0.0017634200000000 ] - [ 0.0019516100000000, -0.0006588000000000, -0.0019079700000000 ] - [ 0.0037677200000000, 0.0003852200000000, -0.0027236100000000 ] - [ 0.0012943300000000, 0.0003349300000000, 0.0004556700000000 ] - [ 0.0032358300000000, 0.0036153700000000, 0.0031385800000000 ] - [ 0.0008071300000000, -0.0005971600000000, -0.0007703100000000 ] - [ 0.0009378500000000, -0.0006197700000000, -0.0009029700000000 ] - [ 0.0009913900000000, -0.0001191700000000, 0.0000513800000000 ] - [ 0.0014801600000000, 0.0005100300000000, 0.0007094800000000 ] - [ -0.0056709100000000, -0.0029268400000000, -0.0013276300000000 ] - [ -0.0123470800000000, -0.0106588100000000, 0.0069456000000000 ] - [ -0.0029408000000000, -0.0011448100000000, -0.0003923500000000 ] - [ -0.0031821400000000, 0.0005387700000000, 0.0002606000000000 ] - [ 0.0024193600000000, 0.0007521800000000, 0.0003675300000000 ] - [ 0.0028320100000000, 0.0009409400000000, 0.0004771200000000 ] - [ 0.0023509200000000, 0.0006179100000000, 0.0006979400000000 ] - [ 0.0025525000000000, 0.0008714900000000, 0.0007536100000000 ] - [ -0.0044378400000000, 0.0011635500000000, -0.0025924500000000 ] - [ -0.0037468600000000, 0.0017020500000000, -0.0007979300000000 ] - [ -0.0017754400000000, -0.0005601600000000, 0.0054538600000000 ] - [ -0.0035936300000000, 0.0009867700000000, -0.0002170300000000 ] - [ 0.0019139800000000, -0.0000736500000000, -0.0007561300000000 ] - [ 0.0040832000000000, 0.0025906300000000, -0.0004551200000000 ] - [ 0.0007046400000000, 0.0002218800000000, 0.0004867800000000 ] - [ 0.0002555600000000, 0.0005919000000000, 0.0004405600000000 ] - [ 0.0035778000000000, -0.0012259700000000, 0.0007868100000000 ] - [ 0.0026862600000000, -0.0008488100000000, 0.0006074200000000 ] - [ 0.0021555200000000, -0.0006076300000000, 0.0005579700000000 ] - [ 0.0019318500000000, -0.0005635100000000, 0.0004686700000000 ] - [ 0.0066065400000000, -0.0019220700000000, 0.0013399300000000 ] - [ 0.0023350900000000, -0.0022329100000000, 0.0008733400000000 ] - [ 0.0011895900000000, 0.0000015100000000, -0.0008792100000000 ] - [ 0.0013244800000000, -0.0007307600000000, -0.0002629900000000 ] - [ 0.0010328300000000, -0.0003907400000000, -0.0005217400000000 ] - [ 0.0005186900000000, 0.0000967800000000, -0.0006416500000000 ] - [ 0.0039235700000000, -0.0023060800000000, 0.0010031300000000 ] - [ 0.0009104200000000, -0.0001600800000000, 0.0005787600000000 ] - [ 0.0030272500000000, -0.0065079500000000, -0.0024869200000000 ] - [ -0.0010637800000000, 0.0066720200000000, 0.0062599700000000 ] - [ -0.0008627500000000, -0.0002214100000000, -0.0001487300000000 ] - [ -0.0009055100000000, 0.0007005700000000, 0.0006095500000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010220100000000, 0.0009551100000000, -0.0001906900000000 ] - [ 0.0005293300000000, -0.0000289200000000, -0.0007773100000000 ] - [ 0.0015650300000000, 0.0007680500000000, -0.0004429100000000 ] - [ -0.0012720300000000, 0.0004438800000000, 0.0006685100000000 ] - [ -0.0004653200000000, -0.0028825800000000, -0.0004617800000000 ] - [ 0.0003851500000000, 0.0020697900000000, -0.0010983200000000 ] - [ 0.0006515800000000, -0.0012343700000000, -0.0000804000000000 ] - [ 0.0005818900000000, 0.0002305500000000, -0.0002621600000000 ] - [ -0.0011955500000000, -0.0128645900000000, 0.0019986900000000 ] - [ -0.0008544600000000, 0.0061425000000000, -0.0018115900000000 ] - [ -0.0001792000000000, -0.0078603700000000, -0.0018836600000000 ] - [ 0.0002433800000000, 0.0046527500000000, 0.0021106800000000 ] - [ 0.0101588600000000, 0.0076098800000000, -0.0039755800000000 ] - [ -0.0242567000000000, 0.0134241000000000, -0.0040626600000000 ] - [ 0.0017571400000000, -0.0001019400000000, 0.0000713800000000 ] - [ -0.0019742400000000, -0.0002210000000000, -0.0003722800000000 ] - [ 0.0001691400000000, -0.0073001100000000, 0.0015382600000000 ] - [ -0.0002539000000000, 0.0052134100000000, -0.0024572900000000 ] - [ 0.0011854000000000, -0.0123038600000000, -0.0023445300000000 ] - [ 0.0008444800000000, 0.0067024300000000, 0.0014662800000000 ] - [ -0.0101690300000000, 0.0070497300000000, 0.0036282900000000 ] - [ 0.0242475200000000, 0.0128632900000000, 0.0037164600000000 ] - [ -0.0017680800000000, -0.0006621500000000, -0.0004172400000000 ] - [ 0.0019648700000000, -0.0007817600000000, 0.0000258700000000 ] - [ -0.0015752100000000, 0.0002063200000000, 0.0000984300000000 ] - [ 0.0012616200000000, -0.0001166600000000, -0.0010156000000000 ] - [ -0.0010323500000000, 0.0003950400000000, -0.0001558500000000 ] - [ -0.0005375800000000, -0.0005900700000000, 0.0004325400000000 ] - [ 0.0004534200000000, -0.0023211800000000, 0.0001155300000000 ] - [ -0.0003931400000000, 0.0026306100000000, 0.0007528200000000 ] - [ -0.0006611400000000, -0.0006733100000000, -0.0002662500000000 ] - [ -0.0005918800000000, 0.0007910000000000, -0.0000829700000000 ] - [ 0.0000901600000000, -0.1078733400000000, 0.0000062400000000 ] - [ 0.0000950300000000, 0.0077616000000000, 0.0000019600000000 ] - [ 0.0000954400000000, -0.0020607900000000, 0.0000021400000000 ] - [ 0.0000950500000000, 0.0022306600000000, 0.0000017400000000 ] - [ 0.0010974300000000, 0.0062281200000000, 0.0047351900000000 ] - [ -0.0027653100000000, 0.0043707700000000, -0.0140872400000000 ] - [ -0.0009069700000000, 0.0062271400000000, -0.0047314500000000 ] - [ 0.0029567000000000, 0.0043720500000000, 0.0140914000000000 ] - [ 0.0000939800000000, -0.0000431000000000, 0.0000028000000000 ] - [ 0.0000951100000000, -0.0000399600000000, 0.0000019800000000 ] - [ 0.0000949600000000, 0.0000026600000000, 0.0000026700000000 ] - [ 0.0000950500000000, 0.0000027800000000, 0.0000019700000000 ] - [ 0.0001001400000000, -0.0002004500000000, -0.0000707300000000 ] - [ 0.0001448200000000, 0.0002093600000000, -0.0001636500000000 ] - [ 0.0000902800000000, -0.0001990000000000, 0.0000730700000000 ] - [ 0.0000445500000000, 0.0002067100000000, 0.0001683100000000 ] - [ -0.0056311300000000, 0.0012460900000000, -0.0029460200000000 ] - [ -0.0000426900000000, -0.0060072200000000, 0.0055476400000000 ] - [ -0.0002293100000000, 0.0008153700000000, -0.0001383100000000 ] - [ 0.0001852000000000, -0.0003468500000000, -0.0002648700000000 ] - [ -0.0004730300000000, -0.0010041100000000, 0.0010853300000000 ] - [ -0.0001382900000000, -0.0004343900000000, 0.0009662200000000 ] - [ -0.0004761600000000, -0.0007974500000000, 0.0009388600000000 ] - [ -0.0001675000000000, -0.0000917400000000, 0.0001979700000000 ] - [ -0.0001710900000000, 0.0013437900000000, -0.0005219500000000 ] - [ 0.0009346900000000, 0.0001339100000000, 0.0004331300000000 ] - [ 0.0000797800000000, 0.0006759600000000, 0.0001997300000000 ] - [ 0.0003377600000000, -0.0002612300000000, -0.0003688900000000 ] - [ -0.0004979200000000, 0.0013675900000000, 0.0003082700000000 ] - [ 0.0006447300000000, -0.0006255700000000, 0.0000429200000000 ] - [ -0.0038394100000000, 0.0026567900000000, 0.0046717000000000 ] - [ 0.0013515800000000, -0.0051718900000000, -0.0039540400000000 ] - [ -0.0000417600000000, 0.0003922300000000, 0.0000299700000000 ] - [ -0.0003363600000000, -0.0000448500000000, -0.0000313100000000 ] - [ -0.0003650600000000, 0.0002411400000000, -0.0001360400000000 ] - [ -0.0004276000000000, 0.0000626100000000, -0.0001574000000000 ] - [ -0.0004743200000000, 0.0135082800000000, -0.0048075100000000 ] - [ -0.0019580900000000, -0.0034737200000000, 0.0007656100000000 ] - [ 0.0019745800000000, 0.0027179200000000, -0.0014988500000000 ] - [ -0.0025893900000000, -0.0037234600000000, 0.0009952200000000 ] - [ -0.0005776900000000, -0.0001099000000000, -0.0001021700000000 ] - [ -0.0003089000000000, -0.0001244800000000, -0.0000686100000000 ] - [ -0.0006692800000000, -0.0000308500000000, -0.0001603500000000 ] - [ 0.0002901300000000, -0.0003783700000000, -0.0001015100000000 ] - [ 0.0025055600000000, 0.0033714300000000, 0.0023209500000000 ] - [ -0.0013671400000000, -0.0029197900000000, -0.0014782500000000 ] - [ -0.0001027500000000, 0.0006941900000000, 0.0004678100000000 ] - [ -0.0005076900000000, -0.0007363300000000, -0.0005820500000000 ] - [ -0.0002233000000000, -0.0035065400000000, 0.0001619000000000 ] - [ -0.0076596400000000, 0.0282524500000000, 0.0124244000000000 ] - [ -0.0018037500000000, -0.0011201600000000, -0.0019929100000000 ] - [ 0.0012386000000000, 0.0009900200000000, 0.0016876600000000 ] - [ -0.0012672400000000, 0.0005579200000000, -0.0001079000000000 ] - [ 0.0044130700000000, -0.0025237700000000, -0.0002260000000000 ] - [ -0.0000933000000000, -0.0001507800000000, -0.0000523400000000 ] - [ 0.0007972300000000, -0.0004551900000000, 0.0000593200000000 ] - [ -0.0000317800000000, -0.0007346600000000, 0.0002800200000000 ] - [ -0.0009074500000000, 0.0014589600000000, -0.0008052900000000 ] - [ -0.0010779100000000, -0.0012654500000000, 0.0013161200000000 ] - [ 0.0023388700000000, 0.0016650400000000, -0.0030959600000000 ] - [ -0.0001278200000000, 0.0010532200000000, 0.0010390900000000 ] - [ -0.0004225000000000, -0.0000131600000000, 0.0003780300000000 ] - [ -0.0004131900000000, 0.0007291300000000, 0.0008270300000000 ] - [ -0.0003855800000000, 0.0004164800000000, 0.0006453100000000 ] - [ -0.0001284200000000, 0.0007521000000000, -0.0006400400000000 ] - [ 0.0001700500000000, -0.0003118400000000, 0.0000152300000000 ] - [ 0.0001580900000000, 0.0004291800000000, -0.0004319800000000 ] - [ 0.0001306700000000, 0.0001166600000000, -0.0002494400000000 ] - [ 0.0035848100000000, 0.0023566900000000, -0.0042762600000000 ] - [ -0.0016069400000000, -0.0054720700000000, 0.0043513100000000 ] - [ 0.0002433600000000, 0.0010686500000000, 0.0000875100000000 ] - [ -0.0008998300000000, -0.0009256700000000, 0.0003527100000000 ] - [ 0.0014457200000000, -0.0008863300000000, -0.0013775000000000 ] - [ -0.0019733900000000, 0.0020430400000000, 0.0030325800000000 ] - [ 0.0003986300000000, -0.0003568800000000, -0.0003430000000000 ] - [ 0.0012744100000000, 0.0018378900000000, 0.0007429500000000 ] - [ 0.0002216800000000, -0.0004989800000000, -0.0005429900000000 ] - [ -0.0000886000000000, 0.0002090800000000, 0.0001988100000000 ] - [ 0.0002192600000000, -0.0007037500000000, -0.0006908200000000 ] - [ -0.0001160000000000, -0.0001355400000000, -0.0005696100000000 ] - [ 0.0000286900000000, -0.0034029800000000, -0.0001510300000000 ] - [ 0.0074627800000000, 0.0283584600000000, -0.0124145700000000 ] - [ 0.0016080300000000, -0.0010167900000000, 0.0020039000000000 ] - [ -0.0014362100000000, 0.0010924500000000, -0.0016782000000000 ] - [ 0.0004710400000000, 0.0000698600000000, 0.0001710900000000 ] - [ -0.0004828800000000, -0.0002719900000000, 0.0001127100000000 ] - [ 0.0003810200000000, -0.0000067500000000, 0.0001114400000000 ] - [ 0.0001078100000000, -0.0000240400000000, 0.0000777400000000 ] - [ -0.0021717300000000, 0.0026147400000000, 0.0015088900000000 ] - [ 0.0023950200000000, -0.0038269400000000, -0.0009840400000000 ] - [ 0.0002750600000000, 0.0134066300000000, 0.0048178300000000 ] - [ 0.0017606600000000, -0.0035769200000000, -0.0007553700000000 ] - [ 0.0016336500000000, 0.0009343800000000, 0.0000457900000000 ] - [ -0.0040464800000000, -0.0021450700000000, 0.0001624700000000 ] - [ 0.0004599600000000, 0.0002271100000000, -0.0000105600000000 ] - [ -0.0004310300000000, -0.0000775600000000, -0.0001225600000000 ] - [ -0.0001468400000000, 0.0002850000000000, -0.0000157200000000 ] - [ 0.0001347900000000, -0.0001447000000000, 0.0000390100000000 ] - [ 0.0001694800000000, 0.0001374300000000, 0.0001461500000000 ] - [ 0.0002304000000000, -0.0000395300000000, 0.0001683500000000 ] - [ -0.0021396800000000, 0.0029943500000000, -0.0023834000000000 ] - [ 0.0017339500000000, -0.0032983500000000, 0.0014153800000000 ] - [ 0.0004689400000000, 0.0003160900000000, -0.0005312000000000 ] - [ 0.0008751200000000, -0.0011149600000000, 0.0005201200000000 ] - [ 0.0002859600000000, 0.0002970800000000, -0.0002630900000000 ] - [ 0.0000287100000000, -0.0006375900000000, 0.0003061600000000 ] - [ 0.0005391300000000, 0.0009653200000000, 0.0004597900000000 ] - [ -0.0005691400000000, -0.0002441200000000, -0.0004958300000000 ] - [ 0.0053763800000000, 0.0015462300000000, 0.0033417100000000 ] - [ -0.0002134800000000, -0.0057068900000000, -0.0051506500000000 ] - [ -0.0000261400000000, 0.0011158400000000, 0.0005351500000000 ] - [ -0.0004396800000000, -0.0000474000000000, 0.0006603700000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002784800000000, -0.0000864200000000, -0.0004418500000000 ] - [ 0.0001967000000000, 0.0009261200000000, 0.0001522600000000 ] - [ -0.0008127100000000, 0.0001140600000000, -0.0001812800000000 ] - [ 0.0020094000000000, 0.0004352500000000, -0.0012861200000000 ] - [ 0.0011878800000000, 0.0019838600000000, -0.0001530600000000 ] - [ 0.0003661800000000, -0.0029328800000000, 0.0004706300000000 ] - [ 0.0000944500000000, 0.0003482600000000, -0.0005494200000000 ] - [ 0.0001637100000000, -0.0011070800000000, -0.0003648500000000 ] - [ 0.0003140200000000, 0.0124985200000000, -0.0021069800000000 ] - [ 0.0001248600000000, -0.0063525500000000, 0.0017606000000000 ] - [ -0.0005756200000000, 0.0075921600000000, 0.0018143200000000 ] - [ -0.0009809300000000, -0.0048463800000000, -0.0021565700000000 ] - [ -0.0107967900000000, -0.0073820800000000, 0.0038932100000000 ] - [ 0.0235569200000000, -0.0131596000000000, 0.0040021600000000 ] - [ -0.0024888500000000, 0.0003212600000000, -0.0001421900000000 ] - [ 0.0012256600000000, 0.0004841100000000, 0.0002856100000000 ] - [ 0.0005654200000000, 0.0081527400000000, -0.0021602200000000 ] - [ 0.0009708400000000, -0.0042857000000000, 0.0018098600000000 ] - [ -0.0003218600000000, 0.0130584300000000, 0.0017612600000000 ] - [ -0.0001366300000000, -0.0057926600000000, -0.0021076400000000 ] - [ 0.0107862400000000, -0.0079413400000000, -0.0042403500000000 ] - [ -0.0235681400000000, -0.0137207100000000, -0.0043476500000000 ] - [ 0.0024786600000000, -0.0002397000000000, -0.0002036000000000 ] - [ -0.0012357400000000, -0.0000758800000000, -0.0006332400000000 ] - [ 0.0008022700000000, -0.0004481000000000, -0.0001635900000000 ] - [ -0.0020196100000000, -0.0001257900000000, 0.0009392700000000 ] - [ 0.0002684700000000, -0.0006471600000000, 0.0000953700000000 ] - [ -0.0002050300000000, 0.0003642400000000, -0.0004966300000000 ] - [ -0.0011990300000000, 0.0025454400000000, -0.0001932000000000 ] - [ -0.0003739500000000, -0.0023718100000000, -0.0008159600000000 ] - [ -0.0001030300000000, 0.0009093800000000, 0.0002030500000000 ] - [ -0.0001730300000000, -0.0005462800000000, 0.0000193900000000 ] - [ 0.0000848500000000, 0.1104061100000000, 0.0000087000000000 ] - [ 0.0000948700000000, -0.0077273200000000, 0.0000021700000000 ] - [ 0.0000950100000000, 0.0020431700000000, 0.0000023400000000 ] - [ 0.0000957800000000, -0.0022172100000000, 0.0000015400000000 ] - [ -0.0008944600000000, -0.0062006200000000, -0.0046913400000000 ] - [ 0.0029786200000000, -0.0043422900000000, 0.0141688600000000 ] - [ 0.0010844500000000, -0.0062006100000000, 0.0046960400000000 ] - [ -0.0027869800000000, -0.0043438100000000, -0.0141654600000000 ] - [ 0.0000945900000000, 0.0000366200000000, 0.0000023800000000 ] - [ 0.0000954100000000, 0.0000408400000000, 0.0000021300000000 ] - [ 0.0000952000000000, -0.0000063000000000, 0.0000020800000000 ] - [ 0.0000949700000000, -0.0000044700000000, 0.0000022400000000 ] - [ 0.0000858700000000, 0.0002000100000000, 0.0000726900000000 ] - [ 0.0000454200000000, -0.0002001400000000, 0.0001690700000000 ] - [ 0.0001047700000000, 0.0002003800000000, -0.0000694900000000 ] - [ 0.0001450300000000, -0.0002005000000000, -0.0001650100000000 ] - [ 0.0057188700000000, -0.0006704500000000, 0.0021771000000000 ] - [ 0.0001799200000000, 0.0065063600000000, -0.0062414600000000 ] - [ 0.0003790000000000, -0.0002917400000000, -0.0005647100000000 ] - [ -0.0000337500000000, 0.0008553500000000, -0.0004355600000000 ] - [ -0.0001950200000000, -0.0001132300000000, 0.0004104600000000 ] - [ -0.0005240700000000, -0.0006825800000000, 0.0005334200000000 ] - [ -0.0001920300000000, -0.0003210100000000, 0.0005625700000000 ] - [ -0.0005002100000000, -0.0010256000000000, 0.0012992900000000 ] - [ 0.0011895400000000, -0.0005837300000000, 0.0005095600000000 ] - [ 0.0000506400000000, 0.0005996100000000, -0.0004506100000000 ] - [ 0.0009119000000000, 0.0000697400000000, -0.0002126600000000 ] - [ 0.0006552900000000, 0.0010003300000000, 0.0003525900000000 ] - [ 0.0006403900000000, -0.0018497800000000, -0.0009902200000000 ] - [ -0.0004930900000000, 0.0000946500000000, -0.0007573400000000 ] - [ 0.0039765000000000, -0.0031442000000000, -0.0053527000000000 ] - [ -0.0011896700000000, 0.0045994400000000, 0.0032100400000000 ] - [ -0.0005842700000000, -0.0000750100000000, -0.0002194800000000 ] - [ -0.0003095200000000, 0.0003496600000000, -0.0001650300000000 ] - [ -0.0002756200000000, 0.0000693500000000, -0.0000583800000000 ] - [ -0.0002058800000000, 0.0002494400000000, -0.0000327600000000 ] - [ 0.0008918000000000, -0.0136757300000000, 0.0052353000000000 ] - [ 0.0021730800000000, 0.0033503400000000, -0.0005582700000000 ] - [ -0.0017302100000000, -0.0028219900000000, 0.0017093800000000 ] - [ 0.0027986400000000, 0.0035813300000000, -0.0007744200000000 ] - [ -0.0000595400000000, -0.0001996000000000, -0.0000915600000000 ] - [ -0.0003272200000000, -0.0001851900000000, -0.0001234600000000 ] - [ 0.0000259300000000, -0.0002752800000000, -0.0000326600000000 ] - [ -0.0009208300000000, 0.0000642600000000, -0.0000909400000000 ] - [ -0.0027519300000000, -0.0033313300000000, -0.0024265900000000 ] - [ 0.0010905700000000, 0.0029213300000000, 0.0013596100000000 ] - [ -0.0001630100000000, -0.0006777400000000, -0.0005760200000000 ] - [ 0.0002384800000000, 0.0007447000000000, 0.0004669600000000 ] - [ 0.0004206000000000, 0.0036103200000000, 0.0000599500000000 ] - [ 0.0090094300000000, -0.0293442200000000, -0.0129735300000000 ] - [ 0.0020191600000000, 0.0012204200000000, 0.0021837300000000 ] - [ -0.0010030500000000, -0.0008917400000000, -0.0014627900000000 ] - [ 0.0022452800000000, -0.0012847200000000, 0.0000910800000000 ] - [ -0.0034045000000000, 0.0017620100000000, 0.0002045100000000 ] - [ 0.0010827500000000, -0.0005880100000000, 0.0000388000000000 ] - [ 0.0001970800000000, -0.0002892600000000, -0.0000713500000000 ] - [ -0.0002392100000000, 0.0007286600000000, -0.0003945200000000 ] - [ 0.0006654600000000, -0.0015002100000000, 0.0007202800000000 ] - [ 0.0008038100000000, 0.0012446100000000, -0.0014156700000000 ] - [ -0.0026091900000000, -0.0016672900000000, 0.0029773000000000 ] - [ -0.0005372200000000, 0.0000660900000000, 0.0004582100000000 ] - [ -0.0002440600000000, 0.0011266900000000, 0.0011157500000000 ] - [ -0.0002506300000000, 0.0003925700000000, 0.0006749100000000 ] - [ -0.0002823600000000, 0.0007045300000000, 0.0008561700000000 ] - [ 0.0002818800000000, -0.0002346400000000, -0.0000609500000000 ] - [ -0.0000087700000000, 0.0008279800000000, -0.0007218800000000 ] - [ -0.0000038800000000, 0.0000926500000000, -0.0002797100000000 ] - [ 0.0000276000000000, 0.0004046200000000, -0.0004608400000000 ] - [ -0.0042323100000000, -0.0034438800000000, 0.0057492400000000 ] - [ 0.0009338200000000, 0.0042997900000000, -0.0028133400000000 ] - [ -0.0008952200000000, -0.0021488700000000, 0.0013857300000000 ] - [ 0.0002370100000000, -0.0002063100000000, 0.0011548300000000 ] - [ -0.0004363300000000, 0.0016237100000000, 0.0013537300000000 ] - [ 0.0029758200000000, -0.0012895900000000, -0.0030409900000000 ] - [ 0.0006063800000000, 0.0011067300000000, 0.0003319600000000 ] - [ -0.0002982300000000, -0.0011208300000000, -0.0007830800000000 ] - [ -0.0000633900000000, -0.0000211500000000, -0.0001654900000000 ] - [ 0.0002447500000000, -0.0007253100000000, -0.0009029500000000 ] - [ -0.0000592200000000, 0.0001867300000000, -0.0000154000000000 ] - [ 0.0002695600000000, -0.0003832600000000, -0.0001370800000000 ] - [ -0.0006155300000000, 0.0037145500000000, -0.0000494100000000 ] - [ -0.0092071400000000, -0.0292448500000000, 0.0129847800000000 ] - [ -0.0022166400000000, 0.0013222800000000, -0.0021736400000000 ] - [ 0.0008087600000000, -0.0007870200000000, 0.0014734500000000 ] - [ -0.0002211200000000, -0.0001723200000000, 0.0000441300000000 ] - [ 0.0007270600000000, 0.0001689200000000, 0.0001017900000000 ] - [ -0.0001356400000000, -0.0000960500000000, 0.0001017800000000 ] - [ 0.0001266000000000, -0.0000843600000000, 0.0001328300000000 ] - [ 0.0015339100000000, -0.0029249500000000, -0.0016988100000000 ] - [ -0.0029937300000000, 0.0034775400000000, 0.0007851100000000 ] - [ -0.0010939600000000, -0.0137748600000000, -0.0052276700000000 ] - [ -0.0023637200000000, 0.0032439200000000, 0.0005708300000000 ] - [ -0.0018786000000000, -0.0009079800000000, -0.0001542200000000 ] - [ 0.0037714100000000, 0.0021401400000000, -0.0002680400000000 ] - [ -0.0007155300000000, -0.0002101900000000, -0.0001020200000000 ] - [ 0.0001687100000000, 0.0000877300000000, 0.0000074400000000 ] - [ 0.0003935900000000, -0.0001811700000000, 0.0002320500000000 ] - [ 0.0001077100000000, 0.0002497600000000, 0.0001729400000000 ] - [ 0.0000783300000000, -0.0000330600000000, 0.0000678900000000 ] - [ 0.0000082400000000, 0.0001469700000000, 0.0000427100000000 ] - [ 0.0031178300000000, -0.0037088200000000, 0.0023636500000000 ] - [ -0.0007227500000000, 0.0025414800000000, -0.0014216500000000 ] - [ 0.0005299300000000, -0.0010559500000000, 0.0005132400000000 ] - [ 0.0001285900000000, 0.0003659200000000, -0.0005299800000000 ] - [ -0.0005458200000000, -0.0003081300000000, 0.0001494900000000 ] - [ -0.0002888500000000, 0.0006228200000000, -0.0004156500000000 ] - [ -0.0008219600000000, -0.0009624900000000, -0.0005719600000000 ] - [ 0.0003141700000000, 0.0002229800000000, 0.0003871200000000 ] - [ -0.0059740000000000, -0.0003705900000000, -0.0017819600000000 ] - [ -0.0004365100000000, 0.0068071000000000, 0.0066401200000000 ] - [ -0.0006344300000000, 0.0000086500000000, 0.0009619300000000 ] - [ -0.0002220500000000, 0.0011559500000000, 0.0008321500000000 ]- atom: 33 displacement: [ -0.0002521786343742, 0.0000000000000000, 0.0099968197911318 ] forces: - [ 0.0023014700000000, 0.0024387500000000, 0.0008954900000000 ] - [ 0.0033322200000000, -0.0009853200000000, -0.0001505400000000 ] - [ -0.0000876700000000, 0.0002918500000000, -0.0006746800000000 ] - [ -0.0015860300000000, 0.0001241200000000, 0.0000835000000000 ] - [ 0.0015095400000000, -0.0012751700000000, -0.0025546800000000 ] - [ 0.0001852600000000, 0.0011283900000000, -0.0021564000000000 ] - [ 0.0007132400000000, -0.0006508500000000, 0.0015456300000000 ] - [ 0.0006596500000000, -0.0003917100000000, 0.0010237400000000 ] - [ 0.0307083100000000, 0.0118451300000000, 0.0077638200000000 ] - [ 0.0003123300000000, 0.0016659000000000, -0.0021919400000000 ] - [ -0.0061882400000000, -0.0022269800000000, 0.0052848300000000 ] - [ -0.0025542200000000, 0.0010233200000000, 0.0026945800000000 ] - [ -0.0009215100000000, 0.0013830900000000, -0.0102323500000000 ] - [ -0.0144233500000000, 0.0063011000000000, -0.0100885900000000 ] - [ 0.0011177000000000, 0.0029570000000000, 0.0055549300000000 ] - [ 0.0006440000000000, -0.0021342800000000, 0.0056986900000000 ] - [ -0.0054999000000000, 0.0025527200000000, 0.0049921700000000 ] - [ -0.0018084800000000, -0.0006904800000000, 0.0023838200000000 ] - [ 0.0312793400000000, -0.0114517500000000, 0.0074979800000000 ] - [ 0.0010586700000000, -0.0013373400000000, -0.0024502300000000 ] - [ -0.0001423900000000, -0.0017153300000000, -0.0105495000000000 ] - [ -0.0135674700000000, -0.0065583800000000, -0.0103433900000000 ] - [ 0.0018541100000000, -0.0032577500000000, 0.0052680100000000 ] - [ 0.0013807200000000, 0.0017996000000000, 0.0054171300000000 ] - [ -0.0008372700000000, 0.0000327700000000, -0.0004012800000000 ] - [ -0.0023287800000000, 0.0001912700000000, 0.0003552800000000 ] - [ 0.0015472400000000, -0.0021158600000000, 0.0011788700000000 ] - [ 0.0025767000000000, 0.0013021300000000, 0.0001334400000000 ] - [ 0.0007679800000000, 0.0009510600000000, -0.0022723900000000 ] - [ -0.0005567800000000, -0.0014402900000000, -0.0018702000000000 ] - [ -0.0000447400000000, 0.0003297500000000, 0.0018220900000000 ] - [ -0.0000916700000000, 0.0000715400000000, 0.0012998700000000 ] - [ 0.0118662900000000, 0.0007576100000000, -0.0589353000000000 ] - [ 0.0000982900000000, -0.0000008000000000, -0.0016899400000000 ] - [ -0.0003327800000000, 0.0000002300000000, 0.0052764300000000 ] - [ -0.0002365600000000, 0.0000003400000000, 0.0023074900000000 ] - [ -0.0006109100000000, 0.0047038900000000, 0.0007109400000000 ] - [ -0.0033330300000000, -0.0141345200000000, 0.0141864800000000 ] - [ -0.0006058200000000, -0.0046716300000000, 0.0007220100000000 ] - [ -0.0032937700000000, 0.0139697000000000, 0.0141032300000000 ] - [ 0.0003717500000000, -0.0000003700000000, -0.0003240700000000 ] - [ 0.0000118000000000, 0.0000003900000000, -0.0003344100000000 ] - [ 0.0005601000000000, -0.0000006800000000, 0.0004000600000000 ] - [ 0.0005202500000000, -0.0000030700000000, 0.0003991500000000 ] - [ 0.0004993600000000, -0.0000693100000000, 0.0000837200000000 ] - [ 0.0002716600000000, -0.0001657400000000, 0.0000158200000000 ] - [ 0.0005006200000000, 0.0000730900000000, 0.0000844000000000 ] - [ 0.0002702500000000, 0.0001691300000000, 0.0000170600000000 ] - [ -0.0032985500000000, -0.0070930500000000, 0.0070923800000000 ] - [ -0.0009890000000000, -0.0023668900000000, 0.0049750200000000 ] - [ 0.0007046000000000, 0.0021179800000000, -0.0033540700000000 ] - [ 0.0008874900000000, 0.0017554800000000, -0.0028850000000000 ] - [ -0.0005362900000000, -0.0013884400000000, 0.0014894300000000 ] - [ -0.0006321800000000, -0.0005211500000000, 0.0011448900000000 ] - [ -0.0003400300000000, -0.0003861600000000, 0.0004532200000000 ] - [ -0.0002007600000000, -0.0001178000000000, 0.0001002600000000 ] - [ -0.0044758700000000, -0.0020373100000000, 0.0004761300000000 ] - [ 0.0003844500000000, 0.0005783400000000, 0.0007107700000000 ] - [ 0.0014962500000000, 0.0008275700000000, -0.0005106200000000 ] - [ 0.0010191600000000, 0.0003031200000000, -0.0006680700000000 ] - [ 0.0000346900000000, -0.0055198600000000, -0.0065524500000000 ] - [ -0.0002839200000000, 0.0003150100000000, -0.0004849700000000 ] - [ 0.0021369800000000, 0.0028337400000000, 0.0008290300000000 ] - [ 0.0015436300000000, -0.0030532100000000, -0.0020961600000000 ] - [ -0.0009422500000000, -0.0000225300000000, 0.0000674200000000 ] - [ -0.0002725800000000, 0.0000765100000000, 0.0001110700000000 ] - [ -0.0006386200000000, 0.0000986500000000, -0.0003465400000000 ] - [ -0.0006263000000000, 0.0000367700000000, -0.0003166300000000 ] - [ -0.0124959300000000, -0.0055952600000000, 0.0000834600000000 ] - [ -0.0010029700000000, -0.0018137900000000, 0.0011714400000000 ] - [ 0.0028106100000000, 0.0014984100000000, -0.0033436900000000 ] - [ 0.0014812200000000, 0.0015049100000000, -0.0011600600000000 ] - [ -0.0010569900000000, -0.0000813600000000, -0.0003827100000000 ] - [ -0.0011724500000000, 0.0001564600000000, -0.0004124100000000 ] - [ -0.0003479300000000, -0.0001024500000000, 0.0000001200000000 ] - [ 0.0001906400000000, -0.0002322400000000, 0.0000219300000000 ] - [ -0.0014656200000000, 0.0033665000000000, 0.0052805300000000 ] - [ -0.0005095600000000, -0.0006597400000000, 0.0004903900000000 ] - [ 0.0001883800000000, -0.0007712200000000, -0.0019642900000000 ] - [ -0.0002629900000000, -0.0009456800000000, -0.0013037300000000 ] - [ 0.0014118400000000, -0.0003411200000000, 0.0020197500000000 ] - [ -0.0004978800000000, 0.0085894000000000, 0.0147983600000000 ] - [ -0.0000538500000000, -0.0012459800000000, -0.0014779800000000 ] - [ -0.0010431900000000, 0.0000516700000000, -0.0037823900000000 ] - [ 0.0005418100000000, -0.0005265800000000, 0.0010338100000000 ] - [ 0.0039714100000000, -0.0024629100000000, 0.0001819200000000 ] - [ -0.0003804100000000, -0.0000784200000000, -0.0008798100000000 ] - [ -0.0001744200000000, 0.0002966400000000, -0.0006832800000000 ] - [ -0.0003399200000000, -0.0006949900000000, -0.0000367500000000 ] - [ -0.0034927200000000, 0.0034177700000000, -0.0032111600000000 ] - [ 0.0000260400000000, -0.0004909600000000, 0.0007954700000000 ] - [ 0.0019497100000000, -0.0001707500000000, -0.0009018500000000 ] - [ -0.0003004500000000, 0.0013639000000000, 0.0017234400000000 ] - [ -0.0003136500000000, 0.0005047700000000, 0.0009832900000000 ] - [ -0.0007574800000000, 0.0001545000000000, -0.0000741100000000 ] - [ -0.0005088800000000, -0.0000363500000000, 0.0000531300000000 ] - [ 0.0001096200000000, -0.0005450300000000, 0.0006210400000000 ] - [ 0.0000974600000000, 0.0003108100000000, -0.0001173400000000 ] - [ -0.0003444600000000, 0.0006655900000000, -0.0011777600000000 ] - [ -0.0000960400000000, 0.0008551800000000, -0.0010510000000000 ] - [ 0.0017189700000000, -0.0036709400000000, 0.0019632000000000 ] - [ 0.0011254700000000, 0.0022016300000000, -0.0009605700000000 ] - [ -0.0003706700000000, 0.0046857500000000, -0.0054324700000000 ] - [ -0.0006916900000000, -0.0011258400000000, 0.0006090500000000 ] - [ 0.0006524400000000, 0.0008520600000000, 0.0008478800000000 ] - [ 0.0025748500000000, 0.0005500400000000, -0.0008347700000000 ] - [ 0.0002921900000000, 0.0010558100000000, 0.0000070200000000 ] - [ -0.0028558100000000, -0.0030515300000000, -0.0031614800000000 ] - [ 0.0000715600000000, -0.0004317100000000, -0.0006485000000000 ] - [ 0.0002102100000000, -0.0006972700000000, -0.0009976500000000 ] - [ -0.0001240200000000, 0.0005661800000000, 0.0003830600000000 ] - [ -0.0002218500000000, -0.0002983700000000, 0.0000393800000000 ] - [ 0.0009674700000000, 0.0005469100000000, 0.0018322700000000 ] - [ -0.0012775500000000, -0.0087931100000000, 0.0146964300000000 ] - [ -0.0004949500000000, 0.0014524500000000, -0.0016815800000000 ] - [ -0.0014770000000000, 0.0001628200000000, -0.0039858400000000 ] - [ 0.0000943000000000, -0.0001045800000000, 0.0002043900000000 ] - [ 0.0006243900000000, 0.0000220300000000, 0.0002244700000000 ] - [ -0.0006162700000000, -0.0001267400000000, -0.0001798100000000 ] - [ -0.0007342000000000, -0.0003639500000000, -0.0002106300000000 ] - [ 0.0024107000000000, -0.0017058200000000, -0.0035630600000000 ] - [ 0.0010493700000000, -0.0017186900000000, -0.0013597500000000 ] - [ -0.0132442300000000, 0.0050990100000000, -0.0006999000000000 ] - [ -0.0014364500000000, 0.0015921900000000, 0.0009585600000000 ] - [ -0.0000880300000000, 0.0001613700000000, 0.0009889700000000 ] - [ 0.0033253100000000, 0.0020870800000000, 0.0001389600000000 ] - [ -0.0010047200000000, -0.0002868100000000, -0.0009273500000000 ] - [ -0.0007996600000000, -0.0006586800000000, -0.0007317100000000 ] - [ -0.0005000900000000, 0.0002293300000000, 0.0002700400000000 ] - [ 0.0001655600000000, 0.0001316700000000, 0.0003132100000000 ] - [ -0.0001958300000000, 0.0001082800000000, -0.0001424400000000 ] - [ -0.0001936900000000, 0.0001745900000000, -0.0001159900000000 ] - [ -0.0008367600000000, -0.0037094000000000, 0.0052975800000000 ] - [ 0.0001185900000000, 0.0002992600000000, 0.0005341900000000 ] - [ 0.0008252900000000, 0.0004071500000000, -0.0019167500000000 ] - [ 0.0003708200000000, 0.0005758400000000, -0.0012503600000000 ] - [ 0.0008732800000000, -0.0004662500000000, -0.0005571000000000 ] - [ 0.0003886500000000, 0.0000617500000000, -0.0007134100000000 ] - [ -0.0050973100000000, 0.0023935400000000, 0.0004170200000000 ] - [ -0.0002455400000000, -0.0002131000000000, 0.0006585200000000 ] - [ -0.0037376600000000, 0.0079062500000000, 0.0081565600000000 ] - [ -0.0013908900000000, 0.0031687600000000, 0.0060448200000000 ] - [ 0.0002969600000000, -0.0013043300000000, -0.0022532900000000 ] - [ 0.0004791600000000, -0.0009293500000000, -0.0017747600000000 ]- atom: 33 displacement: [ 0.0002521786343742, 0.0000000000000000, -0.0099968197911318 ] forces: - [ -0.0015573900000000, -0.0015555200000000, -0.0015252500000000 ] - [ -0.0025849700000000, 0.0018639100000000, -0.0004773200000000 ] - [ 0.0008275100000000, 0.0005944300000000, 0.0000568400000000 ] - [ 0.0023190000000000, 0.0007523000000000, -0.0007018200000000 ] - [ -0.0007790500000000, 0.0003896200000000, 0.0019266100000000 ] - [ 0.0005491500000000, -0.0020014400000000, 0.0015253000000000 ] - [ 0.0000364400000000, -0.0002313800000000, -0.0021680100000000 ] - [ 0.0000820900000000, -0.0004892400000000, -0.0016447500000000 ] - [ -0.0312880800000000, -0.0120119400000000, -0.0078438100000000 ] - [ -0.0010691000000000, -0.0018973200000000, 0.0021050500000000 ] - [ 0.0054898100000000, 0.0019924700000000, -0.0053373800000000 ] - [ 0.0017978700000000, -0.0012513000000000, -0.0027304500000000 ] - [ 0.0001319100000000, -0.0011560500000000, 0.0102021400000000 ] - [ 0.0135578800000000, -0.0059979100000000, 0.0099979000000000 ] - [ -0.0018645300000000, -0.0026970000000000, -0.0056131400000000 ] - [ -0.0013903600000000, 0.0023598100000000, -0.0057642900000000 ] - [ 0.0061774900000000, -0.0016665700000000, -0.0056300600000000 ] - [ 0.0025437200000000, 0.0015839200000000, -0.0030413800000000 ] - [ -0.0307183100000000, 0.0124056100000000, -0.0081091000000000 ] - [ -0.0003232300000000, 0.0022259800000000, 0.0018467200000000 ] - [ 0.0009110900000000, 0.0008228700000000, 0.0098858200000000 ] - [ 0.0144118600000000, 0.0057393200000000, 0.0097420800000000 ] - [ -0.0011283400000000, 0.0023964200000000, -0.0059001000000000 ] - [ -0.0006544500000000, -0.0026946300000000, -0.0060458200000000 ] - [ 0.0000770700000000, -0.0002698500000000, 0.0003304000000000 ] - [ 0.0015749100000000, -0.0004369000000000, -0.0004302200000000 ] - [ -0.0023116800000000, 0.0018784200000000, -0.0012419900000000 ] - [ -0.0033413600000000, -0.0015468700000000, -0.0001940200000000 ] - [ -0.0015207300000000, -0.0007145600000000, 0.0022086900000000 ] - [ -0.0001937700000000, 0.0016896500000000, 0.0018109200000000 ] - [ -0.0007228400000000, -0.0000901100000000, -0.0018924500000000 ] - [ -0.0006703000000000, 0.0001687300000000, -0.0013691400000000 ] - [ -0.0116751000000000, 0.0007702600000000, 0.0589200400000000 ] - [ 0.0000919500000000, -0.0000007200000000, 0.0016949200000000 ] - [ 0.0005221100000000, -0.0000001500000000, -0.0052719800000000 ] - [ 0.0004282100000000, -0.0000029000000000, -0.0023052700000000 ] - [ 0.0007959500000000, -0.0046689500000000, -0.0007173200000000 ] - [ 0.0034852600000000, 0.0139688300000000, -0.0140994900000000 ] - [ 0.0008016800000000, 0.0047017900000000, -0.0007062600000000 ] - [ 0.0035238100000000, -0.0141323100000000, -0.0141826900000000 ] - [ -0.0001828700000000, -0.0000033100000000, 0.0003289200000000 ] - [ 0.0001790700000000, -0.0000012600000000, 0.0003377400000000 ] - [ -0.0003697000000000, -0.0000015200000000, -0.0003952200000000 ] - [ -0.0003303200000000, -0.0000019700000000, -0.0003942400000000 ] - [ -0.0003100400000000, 0.0000724400000000, -0.0000811400000000 ] - [ -0.0000803200000000, 0.0001708800000000, -0.0000121900000000 ] - [ -0.0003087200000000, -0.0000712400000000, -0.0000798500000000 ] - [ -0.0000812400000000, -0.0001655000000000, -0.0000111500000000 ] - [ 0.0034827000000000, 0.0076058200000000, -0.0077609400000000 ] - [ 0.0011341300000000, 0.0028681200000000, -0.0056467800000000 ] - [ -0.0005521300000000, -0.0016045200000000, 0.0026502300000000 ] - [ -0.0007348200000000, -0.0012298400000000, 0.0021716700000000 ] - [ -0.0001308000000000, 0.0002662200000000, 0.0000121500000000 ] - [ -0.0000336000000000, -0.0005975500000000, 0.0003579300000000 ] - [ -0.0003269600000000, -0.0007306900000000, 0.0010449300000000 ] - [ -0.0004662600000000, -0.0009975000000000, 0.0013937800000000 ] - [ 0.0054652200000000, 0.0027720300000000, -0.0004790500000000 ] - [ 0.0006110000000000, 0.0001642900000000, -0.0007214900000000 ] - [ -0.0005075800000000, -0.0000881600000000, 0.0004941300000000 ] - [ -0.0000225100000000, 0.0004386900000000, 0.0006505800000000 ] - [ 0.0001167300000000, 0.0049843800000000, 0.0058271900000000 ] - [ 0.0004358500000000, -0.0008257300000000, -0.0002123100000000 ] - [ -0.0019738300000000, -0.0033707600000000, -0.0015670700000000 ] - [ -0.0013817600000000, 0.0025020700000000, 0.0013583500000000 ] - [ 0.0003082500000000, 0.0003347100000000, -0.0002573200000000 ] - [ -0.0003698600000000, 0.0002302800000000, -0.0003056800000000 ] - [ -0.0000038700000000, 0.0002095000000000, 0.0001514300000000 ] - [ -0.0000053200000000, 0.0002763600000000, 0.0001260700000000 ] - [ 0.0130418400000000, 0.0051989800000000, 0.0007086700000000 ] - [ 0.0012400800000000, 0.0016964600000000, -0.0009473700000000 ] - [ -0.0026080800000000, -0.0016028600000000, 0.0035735500000000 ] - [ -0.0012431900000000, -0.0016144500000000, 0.0013713900000000 ] - [ 0.0004192100000000, -0.0002297300000000, 0.0001893700000000 ] - [ 0.0005307800000000, -0.0004631500000000, 0.0002198000000000 ] - [ -0.0002919000000000, -0.0002060200000000, -0.0001933400000000 ] - [ -0.0008193000000000, -0.0000824400000000, -0.0002138500000000 ] - [ 0.0012025000000000, -0.0033323100000000, -0.0053602600000000 ] - [ 0.0002488600000000, 0.0006783500000000, -0.0005965900000000 ] - [ -0.0004583400000000, 0.0007852100000000, 0.0018539400000000 ] - [ -0.0000036900000000, 0.0009545100000000, 0.0011878200000000 ] - [ -0.0011629900000000, 0.0004430900000000, -0.0018213000000000 ] - [ 0.0010797300000000, -0.0088949300000000, -0.0146860100000000 ] - [ 0.0002966100000000, 0.0013509700000000, 0.0016920000000000 ] - [ 0.0012811900000000, 0.0000582100000000, 0.0039965200000000 ] - [ 0.0004542600000000, -0.0002153600000000, -0.0010513600000000 ] - [ -0.0029592600000000, 0.0017087300000000, -0.0002021500000000 ] - [ 0.0013719200000000, -0.0006651300000000, 0.0008647700000000 ] - [ 0.0011655300000000, -0.0010356000000000, 0.0006683500000000 ] - [ 0.0000745700000000, 0.0006784400000000, -0.0000700500000000 ] - [ 0.0032237000000000, -0.0034311200000000, 0.0030992100000000 ] - [ -0.0002850900000000, 0.0004730200000000, -0.0009093600000000 ] - [ -0.0022089300000000, 0.0001719800000000, 0.0007713500000000 ] - [ -0.0003659400000000, -0.0002440600000000, -0.0002227700000000 ] - [ -0.0003515800000000, 0.0006097400000000, 0.0005119600000000 ] - [ 0.0000895200000000, 0.0009649000000000, 0.0015727300000000 ] - [ -0.0001596400000000, 0.0011549900000000, 0.0014470300000000 ] - [ 0.0000453800000000, 0.0010631600000000, -0.0013260300000000 ] - [ 0.0000612300000000, 0.0002059100000000, -0.0005893600000000 ] - [ 0.0005026100000000, -0.0001457100000000, 0.0004699900000000 ] - [ 0.0002540100000000, -0.0003369700000000, 0.0003431200000000 ] - [ -0.0023916700000000, 0.0025346700000000, -0.0004337900000000 ] - [ -0.0017989000000000, -0.0033530100000000, 0.0024931600000000 ] - [ -0.0002889900000000, -0.0058187500000000, 0.0069477100000000 ] - [ 0.0000280500000000, 0.0000144900000000, 0.0008822500000000 ] - [ 0.0003413900000000, -0.0001115900000000, -0.0008565400000000 ] - [ -0.0015838000000000, 0.0002066300000000, 0.0008388600000000 ] - [ 0.0007064200000000, -0.0003175400000000, -0.0000260700000000 ] - [ 0.0038595300000000, 0.0037968600000000, 0.0031489100000000 ] - [ 0.0000853400000000, -0.0000869900000000, -0.0000564000000000 ] - [ -0.0000542300000000, 0.0001826000000000, 0.0002960700000000 ] - [ 0.0002826500000000, -0.0010882900000000, -0.0010946200000000 ] - [ 0.0003772300000000, -0.0002217100000000, -0.0007480500000000 ] - [ -0.0016067800000000, -0.0002374100000000, -0.0020090600000000 ] - [ 0.0003026700000000, 0.0086935800000000, -0.0147866300000000 ] - [ -0.0001451200000000, -0.0011452800000000, 0.0014878700000000 ] - [ 0.0008498200000000, 0.0001564700000000, 0.0037932400000000 ] - [ 0.0001516600000000, -0.0000001100000000, 0.0000114200000000 ] - [ -0.0003810500000000, -0.0001256100000000, -0.0000096900000000 ] - [ 0.0008612200000000, 0.0000223300000000, 0.0003929000000000 ] - [ 0.0009742300000000, 0.0002584800000000, 0.0004231100000000 ] - [ -0.0030064200000000, 0.0013950800000000, 0.0033546800000000 ] - [ -0.0016753600000000, 0.0014015000000000, 0.0011709000000000 ] - [ 0.0122974900000000, -0.0056957300000000, -0.0000740100000000 ] - [ 0.0008074100000000, -0.0019177200000000, -0.0011601200000000 ] - [ -0.0001753400000000, -0.0001498200000000, -0.0010964000000000 ] - [ -0.0036044200000000, -0.0020847600000000, -0.0002451900000000 ] - [ 0.0007477400000000, 0.0003002200000000, 0.0008172200000000 ] - [ 0.0005401800000000, 0.0006738500000000, 0.0006200200000000 ] - [ 0.0007493300000000, -0.0001281300000000, -0.0000548100000000 ] - [ 0.0000730700000000, -0.0000245400000000, -0.0001025200000000 ] - [ 0.0004437700000000, -0.0000052000000000, 0.0003569900000000 ] - [ 0.0004323600000000, -0.0000678200000000, 0.0003285400000000 ] - [ 0.0018318800000000, 0.0029885800000000, -0.0053426700000000 ] - [ 0.0008768200000000, -0.0010387500000000, -0.0005527000000000 ] - [ 0.0001779600000000, -0.0011492700000000, 0.0019017800000000 ] - [ 0.0006296600000000, -0.0013247300000000, 0.0012416500000000 ] - [ -0.0011304300000000, 0.0004495100000000, 0.0004477300000000 ] - [ -0.0006526100000000, -0.0000741900000000, 0.0006054500000000 ] - [ 0.0048429800000000, -0.0024157300000000, -0.0005386400000000 ] - [ -0.0000188200000000, 0.0002007300000000, -0.0007734600000000 ] - [ 0.0030439400000000, -0.0067934100000000, -0.0066967800000000 ] - [ 0.0007325600000000, -0.0020667100000000, -0.0045770500000000 ] - [ -0.0009596400000000, 0.0024181300000000, 0.0037512600000000 ] - [ -0.0011429900000000, 0.0020554200000000, 0.0032811200000000 ]- atom: 49 displacement: [ 0.0099999998410115, 0.0000000000000000, -0.0000017831910382 ] forces: - [ -0.0018700600000000, -0.0045435000000000, -0.0052129900000000 ] - [ 0.0006414700000000, 0.0017104700000000, -0.0019307400000000 ] - [ -0.0010769000000000, -0.0010631200000000, 0.0034053000000000 ] - [ 0.0006111200000000, 0.0011462000000000, 0.0009893700000000 ] - [ -0.0043226800000000, 0.0052169000000000, 0.0005251400000000 ] - [ -0.0019928100000000, -0.0028065900000000, -0.0005369500000000 ] - [ 0.0008189200000000, -0.0002783200000000, -0.0004250100000000 ] - [ 0.0010831500000000, -0.0013637200000000, -0.0002225900000000 ] - [ 0.0197032900000000, -0.0204951800000000, 0.0215506000000000 ] - [ 0.0054719100000000, -0.0004502300000000, -0.0020805100000000 ] - [ 0.0016271500000000, 0.0005575000000000, 0.0014375100000000 ] - [ 0.0019449700000000, -0.0015317000000000, 0.0019763200000000 ] - [ 0.0336527100000000, 0.0305372300000000, -0.0420054100000000 ] - [ 0.0044316500000000, 0.0010917100000000, 0.0015988100000000 ] - [ 0.0026197500000000, 0.0005316500000000, 0.0008926100000000 ] - [ 0.0017404500000000, -0.0001063900000000, 0.0005135600000000 ] - [ -0.0012668400000000, 0.0001004500000000, 0.0003933600000000 ] - [ -0.0017790700000000, 0.0007333300000000, 0.0000284100000000 ] - [ -0.0020788200000000, 0.0007740100000000, -0.0016742600000000 ] - [ -0.0001368300000000, 0.0001086500000000, -0.0007203900000000 ] - [ -0.0013301700000000, 0.0004782700000000, -0.0006074600000000 ] - [ -0.0023840400000000, -0.0015811000000000, -0.0011334600000000 ] - [ -0.0004467300000000, -0.0000012800000000, 0.0000811100000000 ] - [ -0.0003713400000000, -0.0004862100000000, -0.0001399300000000 ] - [ -0.0022183300000000, -0.0002200500000000, -0.0001752800000000 ] - [ -0.0021040700000000, -0.0000589900000000, -0.0001309200000000 ] - [ -0.0018283800000000, 0.0000442000000000, -0.0003743900000000 ] - [ -0.0018652200000000, -0.0003112200000000, -0.0002310000000000 ] - [ -0.0022578400000000, 0.0001978500000000, -0.0002003500000000 ] - [ -0.0019425000000000, 0.0000372000000000, -0.0003503800000000 ] - [ -0.0018744300000000, 0.0002316500000000, -0.0001856900000000 ] - [ -0.0018029000000000, 0.0000914100000000, -0.0000648400000000 ] - [ -0.0032561500000000, -0.0056291900000000, -0.0034654700000000 ] - [ 0.0008217100000000, -0.0001146500000000, -0.0010389900000000 ] - [ 0.0006135600000000, -0.0003018200000000, 0.0006418400000000 ] - [ 0.0006595400000000, 0.0001097500000000, 0.0008221300000000 ] - [ -0.0019485800000000, 0.0038796300000000, 0.0019875700000000 ] - [ -0.0006563700000000, -0.0012722800000000, 0.0014399800000000 ] - [ 0.0009231900000000, 0.0005636600000000, -0.0000151900000000 ] - [ 0.0010306800000000, -0.0005644100000000, -0.0003307300000000 ] - [ -0.0012311400000000, -0.0002053400000000, 0.0000023500000000 ] - [ -0.0008582300000000, 0.0000903100000000, -0.0000036600000000 ] - [ -0.0007488400000000, 0.0000801100000000, -0.0004437800000000 ] - [ -0.0005496700000000, 0.0000501500000000, -0.0001876500000000 ] - [ -0.0013044400000000, 0.0001953800000000, -0.0003326100000000 ] - [ -0.0008123600000000, -0.0001403300000000, -0.0002242000000000 ] - [ -0.0007607600000000, 0.0001671600000000, 0.0001127200000000 ] - [ -0.0006314100000000, -0.0001428200000000, -0.0000227500000000 ] - [ -0.0664598700000000, -0.0095025500000000, 0.0254658900000000 ] - [ -0.0009548800000000, 0.0004714100000000, 0.0000961300000000 ] - [ -0.0003630300000000, 0.0004713500000000, -0.0008571100000000 ] - [ -0.0003178700000000, 0.0007192400000000, -0.0009145000000000 ] - [ 0.0003564100000000, 0.0001962000000000, 0.0006739000000000 ] - [ 0.0001133900000000, -0.0025035200000000, 0.0020973600000000 ] - [ -0.0001037700000000, 0.0005869600000000, -0.0005829700000000 ] - [ -0.0003095400000000, -0.0004518600000000, 0.0004506400000000 ] - [ 0.0159041000000000, -0.0014475100000000, 0.0094365600000000 ] - [ -0.0002839900000000, 0.0003958000000000, 0.0005335800000000 ] - [ -0.0002597100000000, -0.0002947900000000, -0.0007030500000000 ] - [ -0.0000385800000000, 0.0002540400000000, -0.0002151900000000 ] - [ -0.0024180700000000, 0.0008424500000000, -0.0018734300000000 ] - [ -0.0004495100000000, -0.0000280100000000, -0.0002165200000000 ] - [ -0.0024237100000000, -0.0025728300000000, -0.0012805600000000 ] - [ -0.0004485500000000, -0.0002295800000000, -0.0005776800000000 ] - [ 0.0014750600000000, 0.0005954100000000, 0.0000682100000000 ] - [ 0.0007221200000000, 0.0006957200000000, 0.0000941500000000 ] - [ -0.0001050900000000, 0.0001732500000000, -0.0000414600000000 ] - [ 0.0000213300000000, 0.0003688200000000, -0.0000539900000000 ] - [ 0.0005283900000000, 0.0095764000000000, -0.0058226400000000 ] - [ -0.0016803200000000, -0.0042082000000000, -0.0007936700000000 ] - [ -0.0010077100000000, -0.0003769900000000, -0.0002086800000000 ] - [ -0.0012998700000000, -0.0005418900000000, -0.0004271800000000 ] - [ 0.0014226200000000, -0.0002647600000000, 0.0006052500000000 ] - [ 0.0003084800000000, -0.0004523900000000, 0.0002124200000000 ] - [ 0.0008114800000000, -0.0004625200000000, -0.0003095200000000 ] - [ 0.0001303400000000, -0.0003813300000000, -0.0001627300000000 ] - [ 0.0004573100000000, -0.0096738500000000, -0.0026768800000000 ] - [ 0.0016651700000000, 0.0079008900000000, 0.0007436900000000 ] - [ -0.0007834600000000, -0.0004049800000000, -0.0003043700000000 ] - [ -0.0008936900000000, -0.0004003100000000, -0.0004225000000000 ] - [ -0.0093787800000000, -0.0013356000000000, 0.0056926200000000 ] - [ -0.0030906900000000, 0.0018541900000000, 0.0005723200000000 ] - [ -0.0017312000000000, -0.0002498000000000, -0.0012125500000000 ] - [ -0.0010938100000000, 0.0006013900000000, -0.0005895400000000 ] - [ 0.0095081100000000, -0.0009356000000000, -0.0064009600000000 ] - [ 0.0000502100000000, 0.0001491500000000, -0.0004749800000000 ] - [ -0.0006699900000000, -0.0002263600000000, 0.0006930400000000 ] - [ -0.0003230400000000, -0.0000740600000000, 0.0001146900000000 ] - [ -0.0015899900000000, 0.0006739000000000, 0.0004644600000000 ] - [ 0.0015953700000000, -0.0005276300000000, -0.0001764100000000 ] - [ 0.0017861900000000, 0.0015313200000000, -0.0027633500000000 ] - [ -0.0007898700000000, 0.0000806900000000, -0.0004677500000000 ] - [ 0.0000911200000000, -0.0010567200000000, -0.0007539000000000 ] - [ 0.0000893000000000, 0.0010186900000000, 0.0007052900000000 ] - [ -0.0003197600000000, 0.0005745500000000, 0.0011494600000000 ] - [ -0.0003176500000000, 0.0014589200000000, 0.0018461900000000 ] - [ 0.0004786800000000, 0.0002436500000000, -0.0003518100000000 ] - [ 0.0004803400000000, 0.0002796700000000, -0.0003147600000000 ] - [ 0.0004036300000000, 0.0002214900000000, -0.0002871100000000 ] - [ 0.0004055800000000, 0.0002642300000000, -0.0003352700000000 ] - [ 0.0006405900000000, -0.0005209100000000, 0.0005322100000000 ] - [ 0.0002205200000000, 0.0000203800000000, 0.0005388700000000 ] - [ -0.0003136800000000, -0.0009633100000000, 0.0011351800000000 ] - [ -0.0002368700000000, -0.0004542500000000, 0.0006845300000000 ] - [ 0.0013802200000000, 0.0007770000000000, 0.0000666400000000 ] - [ 0.0013256400000000, 0.0006315700000000, -0.0001187000000000 ] - [ 0.0010243700000000, 0.0004913500000000, -0.0000387800000000 ] - [ 0.0013575600000000, 0.0009762900000000, 0.0003559100000000 ] - [ 0.0004234300000000, -0.0002491900000000, -0.0003479900000000 ] - [ 0.0004540000000000, -0.0003291400000000, -0.0003800600000000 ] - [ 0.0004247600000000, -0.0002384800000000, -0.0003133400000000 ] - [ 0.0004536300000000, -0.0002063700000000, -0.0002858800000000 ] - [ -0.0001723600000000, -0.0003128300000000, 0.0006111100000000 ] - [ 0.0026075300000000, 0.0037659500000000, -0.0014791900000000 ] - [ -0.0003876500000000, 0.0001493800000000, -0.0002811900000000 ] - [ -0.0002633100000000, 0.0003680900000000, -0.0000905800000000 ] - [ 0.0012177000000000, 0.0003426500000000, 0.0003062200000000 ] - [ 0.0010841400000000, 0.0002891800000000, 0.0002639000000000 ] - [ 0.0010344800000000, 0.0001855200000000, 0.0003348400000000 ] - [ 0.0009341400000000, 0.0002528900000000, 0.0002582700000000 ] - [ 0.0000531000000000, -0.0003483700000000, -0.0004468900000000 ] - [ 0.0015076900000000, -0.0025143300000000, -0.0009323900000000 ] - [ 0.0016671000000000, 0.0009319900000000, 0.0026121500000000 ] - [ -0.0005021900000000, -0.0000167400000000, -0.0000191800000000 ] - [ 0.0007244400000000, 0.0002736800000000, -0.0000025300000000 ] - [ 0.0008227000000000, 0.0004945600000000, -0.0000445700000000 ] - [ 0.0004408700000000, 0.0002189100000000, -0.0000231400000000 ] - [ 0.0004114900000000, 0.0002619000000000, -0.0000376900000000 ] - [ 0.0011923000000000, -0.0003947900000000, 0.0002270200000000 ] - [ 0.0010032200000000, -0.0002911900000000, 0.0002297100000000 ] - [ 0.0010838600000000, -0.0002266700000000, 0.0003803500000000 ] - [ 0.0009374800000000, -0.0001700600000000, 0.0003093700000000 ] - [ 0.0014367500000000, -0.0008264300000000, 0.0001684200000000 ] - [ 0.0011663000000000, -0.0008343300000000, 0.0002480900000000 ] - [ 0.0011887500000000, -0.0005240500000000, -0.0001472600000000 ] - [ 0.0012012200000000, -0.0004984700000000, -0.0002178600000000 ] - [ 0.0006095200000000, -0.0002897800000000, -0.0000958600000000 ] - [ 0.0006977700000000, -0.0003873000000000, -0.0001441500000000 ] - [ 0.0009511000000000, -0.0004487300000000, 0.0001496600000000 ] - [ 0.0003524600000000, -0.0001645200000000, 0.0000184000000000 ] - [ 0.0004839300000000, 0.0003283900000000, 0.0010945400000000 ] - [ -0.0003486500000000, 0.0011538500000000, 0.0013562900000000 ] - [ 0.0001591200000000, 0.0004124300000000, 0.0002220700000000 ] - [ -0.0000352000000000, 0.0002317600000000, 0.0002695300000000 ]- atom: 49 displacement: [ -0.0099999998410115, 0.0000000000000000, 0.0000017831910382 ] forces: - [ 0.0026097200000000, 0.0053939200000000, 0.0045708700000000 ] - [ 0.0001655100000000, -0.0008511900000000, 0.0013065400000000 ] - [ 0.0018767100000000, 0.0018990900000000, -0.0040010600000000 ] - [ 0.0001391000000000, -0.0002619500000000, -0.0016086200000000 ] - [ 0.0050890400000000, -0.0060603200000000, -0.0011582300000000 ] - [ 0.0027487900000000, 0.0019275900000000, -0.0000793500000000 ] - [ -0.0000644500000000, -0.0005950100000000, -0.0001995500000000 ] - [ -0.0003274600000000, 0.0004772500000000, -0.0004061000000000 ] - [ -0.0207549600000000, 0.0202708800000000, -0.0217015600000000 ] - [ -0.0062631800000000, 0.0002110000000000, 0.0020079700000000 ] - [ -0.0023863800000000, -0.0008343600000000, -0.0015396800000000 ] - [ -0.0027539700000000, 0.0013540400000000, -0.0020832200000000 ] - [ -0.0348382600000000, -0.0303475100000000, 0.0419048600000000 ] - [ -0.0052182100000000, -0.0008526800000000, -0.0016633900000000 ] - [ -0.0033853700000000, -0.0002554400000000, -0.0009490800000000 ] - [ -0.0025419300000000, 0.0003197600000000, -0.0005440900000000 ] - [ 0.0020130500000000, 0.0007847200000000, -0.0010267500000000 ] - [ 0.0025371800000000, 0.0001399200000000, -0.0006591000000000 ] - [ 0.0028441100000000, 0.0001023400000000, 0.0010673400000000 ] - [ 0.0008759400000000, 0.0007743300000000, 0.0001005000000000 ] - [ 0.0020839600000000, -0.0013668100000000, -0.0000178800000000 ] - [ 0.0031450800000000, 0.0007135800000000, 0.0005142100000000 ] - [ 0.0011865700000000, -0.0008851300000000, -0.0007114600000000 ] - [ 0.0011114900000000, -0.0003942400000000, -0.0004865300000000 ] - [ 0.0014723300000000, -0.0000216200000000, 0.0001094100000000 ] - [ 0.0013597000000000, -0.0001835600000000, 0.0000650500000000 ] - [ 0.0010791600000000, -0.0002893500000000, 0.0003115000000000 ] - [ 0.0011210500000000, 0.0000737400000000, 0.0001663300000000 ] - [ 0.0015129100000000, 0.0000440100000000, 0.0001326300000000 ] - [ 0.0011968200000000, 0.0002056400000000, 0.0002864700000000 ] - [ 0.0011249200000000, 0.0000109400000000, 0.0001190600000000 ] - [ 0.0010574300000000, 0.0001479400000000, -0.0000007800000000 ] - [ 0.0034865000000000, 0.0057208800000000, 0.0034910600000000 ] - [ -0.0006433400000000, 0.0001095000000000, 0.0010505500000000 ] - [ -0.0004409200000000, 0.0003051000000000, -0.0006431700000000 ] - [ -0.0004834400000000, -0.0001102100000000, -0.0008294800000000 ] - [ 0.0021608700000000, -0.0039393900000000, -0.0020213800000000 ] - [ 0.0008360300000000, 0.0012709000000000, -0.0014488500000000 ] - [ -0.0007512300000000, -0.0005736600000000, 0.0000213700000000 ] - [ -0.0008576100000000, 0.0005722300000000, 0.0003417400000000 ] - [ 0.0014266000000000, 0.0002031900000000, 0.0000048500000000 ] - [ 0.0010551800000000, -0.0000890100000000, 0.0000070700000000 ] - [ 0.0009440100000000, -0.0000828400000000, 0.0004467200000000 ] - [ 0.0007499800000000, -0.0000542700000000, 0.0001944500000000 ] - [ 0.0014973000000000, -0.0001902200000000, 0.0003376000000000 ] - [ 0.0010125700000000, 0.0001400700000000, 0.0002294400000000 ] - [ 0.0009605600000000, -0.0001655100000000, -0.0001093000000000 ] - [ 0.0008268700000000, 0.0001436500000000, 0.0000282500000000 ] - [ 0.0669620600000000, 0.0100486300000000, -0.0261088600000000 ] - [ 0.0011137400000000, 0.0000492200000000, -0.0008023600000000 ] - [ 0.0005229500000000, 0.0000427200000000, 0.0001574000000000 ] - [ 0.0004769600000000, -0.0002013900000000, 0.0002086000000000 ] - [ -0.0010237500000000, -0.0013088300000000, 0.0008168000000000 ] - [ -0.0007897500000000, 0.0013770300000000, -0.0005926900000000 ] - [ -0.0005708800000000, -0.0016958100000000, 0.0020769600000000 ] - [ -0.0003605100000000, -0.0006676400000000, 0.0010474500000000 ] - [ -0.0146229700000000, 0.0021449200000000, -0.0092645900000000 ] - [ 0.0012795300000000, 0.0003524100000000, -0.0005449400000000 ] - [ 0.0012488000000000, 0.0010421600000000, 0.0006896600000000 ] - [ 0.0010291200000000, 0.0004795400000000, 0.0002026500000000 ] - [ 0.0025861200000000, -0.0013786900000000, 0.0010829600000000 ] - [ 0.0006104300000000, -0.0004781400000000, -0.0004810000000000 ] - [ 0.0025801900000000, 0.0021040700000000, 0.0006745100000000 ] - [ 0.0006112700000000, -0.0003060200000000, -0.0001406600000000 ] - [ -0.0021158100000000, -0.0002857300000000, -0.0002623100000000 ] - [ -0.0013716900000000, -0.0003891200000000, -0.0002918100000000 ] - [ -0.0005423000000000, 0.0001342300000000, -0.0001534400000000 ] - [ -0.0006580900000000, -0.0000571600000000, -0.0001372700000000 ] - [ -0.0002619400000000, -0.0097750000000000, 0.0060775800000000 ] - [ 0.0019575000000000, 0.0041404200000000, 0.0010165500000000 ] - [ 0.0012663500000000, 0.0002773000000000, 0.0004255900000000 ] - [ 0.0015704000000000, 0.0004451600000000, 0.0006467600000000 ] - [ -0.0020528300000000, -0.0000450500000000, -0.0007955500000000 ] - [ -0.0009641300000000, 0.0001516400000000, -0.0004105200000000 ] - [ -0.0014659700000000, 0.0001611900000000, 0.0001097900000000 ] - [ -0.0007636000000000, 0.0000658100000000, -0.0000294000000000 ] - [ -0.0007428700000000, 0.0096411400000000, 0.0025658200000000 ] - [ -0.0019503200000000, -0.0078629000000000, -0.0008897600000000 ] - [ 0.0005167300000000, 0.0004188000000000, 0.0001904900000000 ] - [ 0.0006273800000000, 0.0004127900000000, 0.0003225500000000 ] - [ 0.0096427500000000, 0.0014519500000000, -0.0054906700000000 ] - [ 0.0033556100000000, -0.0017604000000000, -0.0003656300000000 ] - [ 0.0020060700000000, 0.0003545400000000, 0.0014400200000000 ] - [ 0.0013613500000000, -0.0005020500000000, 0.0008053800000000 ] - [ -0.0083657600000000, 0.0002183800000000, 0.0062364500000000 ] - [ 0.0009488600000000, -0.0008941000000000, 0.0004585500000000 ] - [ 0.0016612400000000, -0.0005199700000000, -0.0007038400000000 ] - [ 0.0013088400000000, -0.0006516300000000, -0.0001433200000000 ] - [ 0.0013233700000000, -0.0006925700000000, -0.0005733200000000 ] - [ -0.0019368300000000, 0.0006589400000000, -0.0000321300000000 ] - [ -0.0021225800000000, -0.0016227600000000, 0.0028000400000000 ] - [ 0.0005219600000000, -0.0000859900000000, 0.0003510900000000 ] - [ -0.0007595400000000, 0.0021694800000000, 0.0022518500000000 ] - [ -0.0007617700000000, 0.0000983500000000, 0.0007865900000000 ] - [ -0.0003527300000000, 0.0005384900000000, 0.0003426700000000 ] - [ -0.0003507100000000, -0.0003326400000000, -0.0003362200000000 ] - [ -0.0003268100000000, 0.0002728800000000, -0.0003521200000000 ] - [ -0.0003249700000000, 0.0002392500000000, -0.0003933800000000 ] - [ -0.0002513600000000, 0.0002960300000000, -0.0004187700000000 ] - [ -0.0002497000000000, 0.0002565400000000, -0.0003748500000000 ] - [ -0.0013126800000000, -0.0005983700000000, 0.0009690700000000 ] - [ -0.0008896500000000, -0.0011447600000000, 0.0009636800000000 ] - [ -0.0003500100000000, -0.0001466100000000, 0.0003558300000000 ] - [ -0.0004266800000000, -0.0006642600000000, 0.0008122700000000 ] - [ -0.0003916300000000, -0.0000377200000000, -0.0000812000000000 ] - [ -0.0003351000000000, 0.0001114500000000, 0.0001068700000000 ] - [ -0.0000292900000000, 0.0002510100000000, 0.0000253200000000 ] - [ -0.0003701700000000, -0.0002416300000000, -0.0003766200000000 ] - [ -0.0002700700000000, -0.0002690400000000, -0.0003594100000000 ] - [ -0.0003009900000000, -0.0001887100000000, -0.0003243400000000 ] - [ -0.0002684600000000, -0.0002804600000000, -0.0003948500000000 ] - [ -0.0003011200000000, -0.0003125900000000, -0.0004205400000000 ] - [ -0.0004601000000000, 0.0006270200000000, -0.0008064600000000 ] - [ -0.0032685400000000, -0.0034990500000000, 0.0013175200000000 ] - [ -0.0002426400000000, 0.0001650500000000, 0.0000911000000000 ] - [ -0.0003669200000000, -0.0000565600000000, -0.0001028000000000 ] - [ -0.0009783100000000, -0.0004494800000000, -0.0000939100000000 ] - [ -0.0008505000000000, -0.0003982700000000, -0.0000518500000000 ] - [ -0.0007975600000000, -0.0002957500000000, -0.0001224000000000 ] - [ -0.0007037100000000, -0.0003621000000000, -0.0000488200000000 ] - [ -0.0006818900000000, 0.0000336500000000, 0.0002589000000000 ] - [ -0.0021654600000000, 0.0022414600000000, 0.0007545600000000 ] - [ -0.0023305000000000, -0.0012605700000000, -0.0028499800000000 ] - [ -0.0001312400000000, -0.0002967700000000, -0.0001753000000000 ] - [ -0.0009938600000000, -0.0002625100000000, -0.0001080300000000 ] - [ -0.0010938700000000, -0.0004859500000000, -0.0000674200000000 ] - [ -0.0007069300000000, -0.0002083000000000, -0.0000883000000000 ] - [ -0.0006784900000000, -0.0002498500000000, -0.0000745700000000 ] - [ -0.0009494100000000, 0.0004994500000000, -0.0000125300000000 ] - [ -0.0007683000000000, 0.0004005200000000, -0.0000192900000000 ] - [ -0.0008404300000000, 0.0003312900000000, -0.0001662700000000 ] - [ -0.0007144700000000, 0.0002850300000000, -0.0001016500000000 ] - [ -0.0004498800000000, 0.0000896100000000, -0.0001843700000000 ] - [ -0.0001751800000000, 0.0000956500000000, -0.0002650400000000 ] - [ -0.0001971100000000, -0.0002170500000000, 0.0001340300000000 ] - [ -0.0002078800000000, -0.0002452500000000, 0.0002070900000000 ] - [ -0.0008777400000000, 0.0002780100000000, -0.0000153800000000 ] - [ -0.0009693400000000, 0.0003806900000000, 0.0000328500000000 ] - [ -0.0012253700000000, 0.0004390600000000, -0.0002627300000000 ] - [ -0.0006191200000000, 0.0001527200000000, -0.0001301600000000 ] - [ -0.0011575600000000, 0.0007930200000000, 0.0003987900000000 ] - [ -0.0003159100000000, -0.0000428800000000, 0.0001349600000000 ] - [ -0.0008309100000000, 0.0007062800000000, 0.0012841200000000 ] - [ -0.0006306900000000, 0.0008911500000000, 0.0012347000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0023281200000000, 0.0078810400000000, 0.0008180900000000 ] - [ 0.0095918400000000, -0.0060724200000000, 0.0006134100000000 ] - [ -0.0084681500000000, 0.0038888500000000, 0.0015981000000000 ] - [ -0.0004664700000000, -0.0015304300000000, -0.0007820800000000 ] - [ 0.0076370500000000, 0.0067073300000000, -0.0074755800000000 ] - [ -0.0100759900000000, -0.0073171600000000, -0.0038159500000000 ] - [ 0.0008629200000000, 0.0006531100000000, 0.0035558900000000 ] - [ 0.0003292400000000, -0.0025568700000000, 0.0031026000000000 ] - [ 0.0056718600000000, 0.0359353300000000, -0.0225332200000000 ] - [ -0.0006921900000000, -0.0119121500000000, -0.0119961000000000 ] - [ -0.0019405100000000, 0.0058862500000000, 0.0083752200000000 ] - [ 0.0033330300000000, -0.0119784200000000, 0.0090534500000000 ] - [ 0.0174012400000000, 0.0597251400000000, -0.0557843500000000 ] - [ -0.0045993600000000, -0.0141330100000000, -0.0096267400000000 ] - [ 0.0027962200000000, 0.0103365400000000, 0.0086887100000000 ] - [ -0.0042759400000000, -0.0076213700000000, 0.0099638400000000 ] - [ -0.0008266500000000, 0.0015148500000000, -0.0004447700000000 ] - [ 0.0001424700000000, -0.0004930900000000, -0.0000257000000000 ] - [ 0.0000094700000000, 0.0012574100000000, -0.0008925800000000 ] - [ 0.0021913400000000, -0.0008143500000000, 0.0002944300000000 ] - [ 0.0015497500000000, 0.0010248900000000, -0.0005165000000000 ] - [ -0.0009606900000000, -0.0017210100000000, -0.0017029300000000 ] - [ 0.0011837300000000, 0.0000800500000000, 0.0006458000000000 ] - [ 0.0000982100000000, -0.0008892700000000, 0.0003714800000000 ] - [ -0.0003019600000000, 0.0000919200000000, -0.0002384600000000 ] - [ -0.0006240300000000, -0.0002305800000000, -0.0001444000000000 ] - [ -0.0001486700000000, 0.0000513900000000, 0.0000294600000000 ] - [ -0.0003455500000000, -0.0004063600000000, 0.0002575000000000 ] - [ -0.0006149300000000, 0.0003380300000000, -0.0001389300000000 ] - [ -0.0003048200000000, -0.0000727700000000, -0.0003840600000000 ] - [ -0.0002716500000000, 0.0002891400000000, 0.0002617200000000 ] - [ -0.0002246000000000, -0.0000826500000000, 0.0001159800000000 ] - [ -0.0069631500000000, 0.0009036900000000, -0.0075111000000000 ] - [ 0.0062100000000000, -0.0062508600000000, -0.0024602900000000 ] - [ -0.0006764000000000, 0.0005496200000000, 0.0018364000000000 ] - [ 0.0002403100000000, -0.0005964200000000, 0.0014961200000000 ] - [ 0.0009401500000000, 0.0029077500000000, -0.0030575400000000 ] - [ -0.0055770800000000, -0.0048642500000000, 0.0026270100000000 ] - [ 0.0048143900000000, 0.0016143400000000, 0.0053707800000000 ] - [ 0.0003761300000000, -0.0003647900000000, -0.0005600700000000 ] - [ -0.0002764000000000, 0.0004927600000000, -0.0008098700000000 ] - [ -0.0001826800000000, -0.0005692400000000, 0.0000475000000000 ] - [ 0.0002913100000000, 0.0001674700000000, 0.0004141000000000 ] - [ 0.0005071600000000, -0.0001454100000000, 0.0006076300000000 ] - [ 0.0008630400000000, 0.0001214200000000, 0.0000593800000000 ] - [ 0.0002349900000000, -0.0004449600000000, -0.0008211300000000 ] - [ -0.0002639300000000, 0.0004647000000000, 0.0004308100000000 ] - [ -0.0002425300000000, -0.0002377700000000, 0.0001656900000000 ] - [ -0.0105594200000000, -0.1672929600000000, 0.1390499000000000 ] - [ 0.0002873000000000, 0.0053289600000000, -0.0017777500000000 ] - [ 0.0002899300000000, 0.0012794400000000, -0.0044708500000000 ] - [ 0.0005355400000000, 0.0044550800000000, -0.0049119100000000 ] - [ 0.0004180500000000, -0.0028303600000000, 0.0036705300000000 ] - [ -0.0022679100000000, -0.0007258500000000, 0.0012734500000000 ] - [ 0.0008065200000000, 0.0010344400000000, -0.0017917500000000 ] - [ -0.0002255700000000, -0.0000692400000000, 0.0000334200000000 ] - [ -0.0121734800000000, -0.0060997700000000, -0.0030048800000000 ] - [ 0.0017636100000000, 0.0041803600000000, 0.0026383900000000 ] - [ 0.0012079800000000, -0.0011682400000000, -0.0020278300000000 ] - [ 0.0016788300000000, 0.0019508700000000, -0.0008081200000000 ] - [ 0.0023966800000000, -0.0149885900000000, -0.0184052600000000 ] - [ 0.0000395900000000, 0.0046634100000000, 0.0033395000000000 ] - [ -0.0010616400000000, -0.0150916900000000, -0.0088814000000000 ] - [ -0.0001464400000000, 0.0046652600000000, 0.0025377000000000 ] - [ -0.0019074400000000, -0.0008718000000000, 0.0001623100000000 ] - [ 0.0022993000000000, 0.0016944200000000, 0.0009314300000000 ] - [ -0.0007861500000000, -0.0001106200000000, -0.0005915400000000 ] - [ -0.0001387100000000, 0.0004940200000000, -0.0004780300000000 ] - [ 0.0218548200000000, 0.0206566300000000, -0.0050639400000000 ] - [ -0.0016764900000000, 0.0057689000000000, 0.0045713300000000 ] - [ -0.0012013100000000, -0.0009732300000000, -0.0009768300000000 ] - [ -0.0011912900000000, 0.0007522800000000, -0.0026926800000000 ] - [ -0.0011399200000000, -0.0005248500000000, -0.0003766400000000 ] - [ -0.0029152800000000, 0.0013967100000000, -0.0009612000000000 ] - [ 0.0021846100000000, -0.0012915700000000, 0.0003392600000000 ] - [ -0.0002136400000000, 0.0000529100000000, -0.0001155800000000 ] - [ -0.0141721700000000, 0.0226077200000000, 0.0126601700000000 ] - [ 0.0129558700000000, 0.0228314800000000, 0.0070719000000000 ] - [ 0.0002062000000000, -0.0009699400000000, -0.0028999100000000 ] - [ -0.0006526700000000, -0.0013395800000000, -0.0030941200000000 ] - [ -0.0197689200000000, 0.0138319100000000, -0.0111100600000000 ] - [ 0.0010892600000000, 0.0004262800000000, 0.0020056600000000 ] - [ 0.0015429400000000, -0.0017392000000000, -0.0003850100000000 ] - [ 0.0006816500000000, 0.0006513200000000, -0.0017348900000000 ] - [ 0.0080771700000000, -0.0080077800000000, 0.0014392900000000 ] - [ -0.0003201400000000, 0.0033431400000000, -0.0001038100000000 ] - [ -0.0006234600000000, -0.0007641000000000, -0.0010747200000000 ] - [ -0.0006781600000000, 0.0024955600000000, -0.0024691300000000 ] - [ 0.0003614300000000, -0.0023814800000000, 0.0028082100000000 ] - [ -0.0161104600000000, 0.0243090700000000, -0.0155340900000000 ] - [ 0.0115227100000000, 0.0140042800000000, -0.0237834700000000 ] - [ 0.0001553300000000, -0.0006446200000000, 0.0013786500000000 ] - [ -0.0007923100000000, 0.0012178500000000, 0.0023330500000000 ] - [ 0.0012804900000000, 0.0012005500000000, 0.0014649600000000 ] - [ -0.0012265300000000, -0.0004127300000000, -0.0010802900000000 ] - [ -0.0003510200000000, -0.0004187200000000, -0.0004534500000000 ] - [ 0.0000980200000000, 0.0001781600000000, -0.0002020900000000 ] - [ 0.0000644700000000, 0.0001781900000000, -0.0001964200000000 ] - [ 0.0000815500000000, 0.0003435500000000, -0.0005116400000000 ] - [ 0.0000416100000000, 0.0003441600000000, -0.0005001000000000 ] - [ -0.0002901600000000, -0.0013529400000000, 0.0012571900000000 ] - [ 0.0002460800000000, 0.0002510900000000, 0.0008880400000000 ] - [ -0.0007418900000000, -0.0009351200000000, 0.0007545600000000 ] - [ -0.0002281300000000, 0.0001001500000000, 0.0000606800000000 ] - [ 0.0003916800000000, 0.0004804700000000, 0.0002213600000000 ] - [ 0.0007354900000000, 0.0004790000000000, 0.0000580200000000 ] - [ 0.0001913100000000, 0.0000849700000000, -0.0002637900000000 ] - [ 0.0006166500000000, 0.0004657800000000, -0.0000020100000000 ] - [ 0.0000570700000000, -0.0002637300000000, -0.0003573500000000 ] - [ 0.0000244400000000, -0.0002541100000000, -0.0003748200000000 ] - [ 0.0000695400000000, -0.0002638400000000, -0.0003369500000000 ] - [ 0.0001481300000000, -0.0002535800000000, -0.0003506500000000 ] - [ -0.0021152300000000, -0.0012550000000000, 0.0008393700000000 ] - [ 0.0019485300000000, 0.0016709400000000, 0.0003612200000000 ] - [ -0.0012761300000000, 0.0006982000000000, -0.0013905000000000 ] - [ -0.0001359200000000, 0.0004151900000000, -0.0002949200000000 ] - [ -0.0000420400000000, -0.0003806800000000, 0.0003397900000000 ] - [ 0.0003246800000000, 0.0000304300000000, 0.0002562200000000 ] - [ 0.0000818200000000, -0.0000016400000000, -0.0000657200000000 ] - [ 0.0000813800000000, 0.0001675800000000, -0.0001405500000000 ] - [ 0.0009806400000000, -0.0012661300000000, -0.0006031200000000 ] - [ -0.0004558900000000, -0.0000641100000000, -0.0002977900000000 ] - [ 0.0004700100000000, 0.0002048500000000, 0.0011946700000000 ] - [ -0.0029168700000000, 0.0009813600000000, -0.0007735100000000 ] - [ -0.0003299100000000, -0.0001558200000000, 0.0000652400000000 ] - [ 0.0002698500000000, 0.0002939500000000, 0.0000903400000000 ] - [ -0.0004296800000000, -0.0001998100000000, -0.0002314900000000 ] - [ -0.0000738700000000, 0.0000741900000000, -0.0001422000000000 ] - [ 0.0003622900000000, -0.0001251800000000, 0.0001475500000000 ] - [ 0.0001798500000000, 0.0001079700000000, 0.0001565200000000 ] - [ -0.0000425700000000, -0.0000233400000000, -0.0000484700000000 ] - [ -0.0000901100000000, 0.0002795800000000, 0.0001617500000000 ] - [ 0.0007018600000000, -0.0006036100000000, 0.0002311700000000 ] - [ 0.0002294500000000, -0.0003453400000000, 0.0001274100000000 ] - [ 0.0006247500000000, -0.0003800400000000, -0.0001536300000000 ] - [ 0.0003741100000000, -0.0000937800000000, -0.0002796000000000 ] - [ 0.0000705100000000, -0.0001923900000000, -0.0000648200000000 ] - [ -0.0000974500000000, 0.0000508300000000, -0.0001087100000000 ] - [ 0.0000278000000000, -0.0001299900000000, 0.0000184200000000 ] - [ -0.0006213800000000, 0.0003080500000000, -0.0000765300000000 ] - [ -0.0000980300000000, -0.0000041100000000, 0.0007161200000000 ] - [ -0.0009313300000000, 0.0015229100000000, 0.0014475700000000 ] - [ -0.0001862800000000, -0.0000241500000000, 0.0002303900000000 ] - [ -0.0000056800000000, 0.0007035500000000, 0.0004150600000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015676100000000, -0.0069749200000000, -0.0014056700000000 ] - [ -0.0089076600000000, 0.0069677600000000, -0.0012432700000000 ] - [ 0.0092361100000000, -0.0029778200000000, -0.0022562500000000 ] - [ 0.0012039000000000, 0.0023969400000000, 0.0001595500000000 ] - [ -0.0068760100000000, -0.0076998500000000, 0.0068648600000000 ] - [ 0.0107819800000000, 0.0064550100000000, 0.0031918600000000 ] - [ -0.0001292400000000, -0.0015415100000000, -0.0042022300000000 ] - [ 0.0003952200000000, 0.0016897700000000, -0.0037370100000000 ] - [ -0.0056764400000000, -0.0382317800000000, 0.0250052200000000 ] - [ -0.0000451700000000, 0.0117350900000000, 0.0119351600000000 ] - [ 0.0012030800000000, -0.0061904100000000, -0.0085544100000000 ] - [ -0.0041054600000000, 0.0117718400000000, -0.0091405300000000 ] - [ -0.0170147600000000, -0.0580955100000000, 0.0524003600000000 ] - [ 0.0038802000000000, 0.0144135000000000, 0.0096313800000000 ] - [ -0.0035942000000000, -0.0101870800000000, -0.0088519200000000 ] - [ 0.0035157000000000, 0.0078989600000000, -0.0100971500000000 ] - [ 0.0015782600000000, -0.0006499700000000, -0.0001700100000000 ] - [ 0.0005998000000000, 0.0013824700000000, -0.0005979900000000 ] - [ 0.0007192200000000, -0.0003764100000000, 0.0002580100000000 ] - [ -0.0014513200000000, 0.0016969100000000, -0.0009228000000000 ] - [ -0.0008160500000000, -0.0019006200000000, -0.0001050900000000 ] - [ 0.0016979100000000, 0.0008328700000000, 0.0010857000000000 ] - [ -0.0004434600000000, -0.0009575200000000, -0.0012745000000000 ] - [ 0.0006499100000000, 0.0000065200000000, -0.0010028600000000 ] - [ -0.0004587200000000, -0.0003339400000000, 0.0001748500000000 ] - [ -0.0001341100000000, -0.0000123500000000, 0.0000790800000000 ] - [ -0.0006124700000000, -0.0002910100000000, -0.0000978300000000 ] - [ -0.0004144100000000, 0.0001640600000000, -0.0003264100000000 ] - [ -0.0001490600000000, -0.0000980900000000, 0.0000721500000000 ] - [ -0.0004552800000000, 0.0003166500000000, 0.0003173800000000 ] - [ -0.0004867900000000, -0.0000482700000000, -0.0003296200000000 ] - [ -0.0005326900000000, 0.0003243600000000, -0.0001817900000000 ] - [ 0.0071478900000000, -0.0010142300000000, 0.0075476700000000 ] - [ -0.0060237500000000, 0.0062619600000000, 0.0024677700000000 ] - [ 0.0008768900000000, -0.0005595500000000, -0.0018476800000000 ] - [ -0.0000404000000000, 0.0006050700000000, -0.0014967000000000 ] - [ -0.0007675900000000, -0.0028908900000000, 0.0031064300000000 ] - [ 0.0058448800000000, 0.0049083600000000, -0.0026411900000000 ] - [ -0.0046250800000000, -0.0016007500000000, -0.0053752100000000 ] - [ -0.0001796500000000, 0.0003559900000000, 0.0005669200000000 ] - [ 0.0004701700000000, -0.0004946200000000, 0.0008173200000000 ] - [ 0.0003702500000000, 0.0005685600000000, -0.0000431200000000 ] - [ -0.0001017500000000, -0.0001711700000000, -0.0004064200000000 ] - [ -0.0003187900000000, 0.0001415500000000, -0.0006055000000000 ] - [ -0.0006711200000000, -0.0001220400000000, -0.0000558300000000 ] - [ -0.0000459500000000, 0.0004497900000000, 0.0008269400000000 ] - [ 0.0004578500000000, -0.0004664400000000, -0.0004315600000000 ] - [ 0.0004302000000000, 0.0002414900000000, -0.0001615600000000 ] - [ 0.0089528900000000, 0.1688313000000000, -0.1392057200000000 ] - [ -0.0001344800000000, -0.0048278800000000, 0.0010797000000000 ] - [ -0.0001368800000000, -0.0007857000000000, 0.0038251100000000 ] - [ -0.0003832400000000, -0.0039537100000000, 0.0042256300000000 ] - [ -0.0010878000000000, 0.0017009900000000, -0.0021682600000000 ] - [ 0.0016121500000000, -0.0003695600000000, 0.0002152200000000 ] - [ -0.0014747900000000, -0.0021688100000000, 0.0033092900000000 ] - [ -0.0004410400000000, -0.0010488700000000, 0.0014679200000000 ] - [ 0.0131077700000000, 0.0069162600000000, 0.0029226700000000 ] - [ -0.0007649700000000, -0.0034498700000000, -0.0026567000000000 ] - [ -0.0002187100000000, 0.0019183900000000, 0.0020271200000000 ] - [ -0.0006764200000000, -0.0012060400000000, 0.0007961300000000 ] - [ -0.0022736200000000, 0.0146934600000000, 0.0178834400000000 ] - [ 0.0001146300000000, -0.0052001100000000, -0.0040512800000000 ] - [ 0.0011630500000000, 0.0145894200000000, 0.0083970300000000 ] - [ 0.0003022100000000, -0.0051985000000000, -0.0032546400000000 ] - [ 0.0012699500000000, 0.0011864800000000, -0.0003541100000000 ] - [ -0.0029291400000000, -0.0013803100000000, -0.0011257300000000 ] - [ 0.0001512000000000, 0.0004232400000000, 0.0004001800000000 ] - [ -0.0004879500000000, -0.0001815400000000, 0.0002905700000000 ] - [ -0.0220210500000000, -0.0211243900000000, 0.0054025300000000 ] - [ 0.0018891200000000, -0.0058613900000000, -0.0043480000000000 ] - [ 0.0014556500000000, 0.0008759800000000, 0.0011992400000000 ] - [ 0.0014325600000000, -0.0008638400000000, 0.0029089300000000 ] - [ 0.0004920200000000, 0.0002140700000000, 0.0001776000000000 ] - [ 0.0022903100000000, -0.0017124000000000, 0.0007722400000000 ] - [ -0.0028387700000000, 0.0009870300000000, -0.0005311400000000 ] - [ -0.0004126800000000, -0.0003692200000000, -0.0000749200000000 ] - [ 0.0141604700000000, -0.0228980300000000, -0.0129497700000000 ] - [ -0.0130955100000000, -0.0226563200000000, -0.0072129800000000 ] - [ -0.0004685300000000, 0.0009958400000000, 0.0028188100000000 ] - [ 0.0004010300000000, 0.0013626800000000, 0.0029939800000000 ] - [ 0.0199516500000000, -0.0136840900000000, 0.0112304000000000 ] - [ -0.0008798600000000, -0.0003039400000000, -0.0018070100000000 ] - [ -0.0013225900000000, 0.0018593600000000, 0.0005987300000000 ] - [ -0.0004354600000000, -0.0005526100000000, 0.0019690800000000 ] - [ -0.0071885400000000, 0.0072624000000000, -0.0013850600000000 ] - [ 0.0013328300000000, -0.0040960600000000, 0.0000787000000000 ] - [ 0.0016389300000000, 0.0000199900000000, 0.0010610800000000 ] - [ 0.0016851300000000, -0.0032487700000000, 0.0024621400000000 ] - [ -0.0006104800000000, 0.0023747900000000, -0.0029325400000000 ] - [ 0.0159518200000000, -0.0245508900000000, 0.0155388100000000 ] - [ -0.0117511900000000, -0.0139413500000000, 0.0236154200000000 ] - [ -0.0004284800000000, 0.0006578000000000, -0.0015055200000000 ] - [ 0.0001273400000000, -0.0000853700000000, -0.0008290100000000 ] - [ -0.0019456500000000, -0.0001030100000000, 0.0000193800000000 ] - [ 0.0005661200000000, 0.0015389600000000, 0.0025876700000000 ] - [ -0.0003143300000000, 0.0015330200000000, 0.0019472400000000 ] - [ 0.0000572500000000, 0.0003402100000000, -0.0005038700000000 ] - [ 0.0000935600000000, 0.0003401700000000, -0.0005115400000000 ] - [ 0.0000740900000000, 0.0001741800000000, -0.0001936300000000 ] - [ 0.0001158800000000, 0.0001744300000000, -0.0002080700000000 ] - [ -0.0003682900000000, 0.0002418500000000, 0.0002324000000000 ] - [ -0.0009188400000000, -0.0013691800000000, 0.0006060800000000 ] - [ 0.0000748400000000, -0.0001848600000000, 0.0007482400000000 ] - [ -0.0004380400000000, -0.0012194700000000, 0.0014395800000000 ] - [ 0.0006049500000000, 0.0002613500000000, -0.0002367500000000 ] - [ 0.0002599400000000, 0.0002638700000000, -0.0000744200000000 ] - [ 0.0008058000000000, 0.0006571000000000, 0.0002502000000000 ] - [ 0.0003814400000000, 0.0002809800000000, -0.0000081700000000 ] - [ 0.0000991900000000, -0.0002561200000000, -0.0003515300000000 ] - [ 0.0001306500000000, -0.0002637700000000, -0.0003302400000000 ] - [ 0.0000891400000000, -0.0002559900000000, -0.0003711300000000 ] - [ 0.0000078900000000, -0.0002634000000000, -0.0003540200000000 ] - [ 0.0014790900000000, 0.0015640000000000, -0.0010331600000000 ] - [ -0.0025759300000000, -0.0013267500000000, -0.0005775700000000 ] - [ 0.0006362000000000, -0.0003948500000000, 0.0012033000000000 ] - [ -0.0005049300000000, -0.0001064200000000, 0.0001052700000000 ] - [ 0.0002889400000000, 0.0002775700000000, -0.0001264200000000 ] - [ -0.0000806800000000, -0.0001349600000000, -0.0000422600000000 ] - [ 0.0001628900000000, -0.0001036500000000, 0.0002793400000000 ] - [ 0.0001575000000000, -0.0002743000000000, 0.0003535700000000 ] - [ -0.0016363800000000, 0.0009698200000000, 0.0004133300000000 ] - [ -0.0001759600000000, -0.0002637000000000, 0.0001001800000000 ] - [ -0.0010965700000000, -0.0005056500000000, -0.0013693400000000 ] - [ 0.0022792200000000, -0.0012949700000000, 0.0005800800000000 ] - [ 0.0000677200000000, 0.0001684800000000, -0.0001761500000000 ] - [ -0.0005344600000000, -0.0002804600000000, -0.0002040600000000 ] - [ 0.0001665200000000, 0.0002115600000000, 0.0001216300000000 ] - [ -0.0001911400000000, -0.0000608400000000, 0.0000313300000000 ] - [ -0.0001104000000000, 0.0002268400000000, 0.0000698000000000 ] - [ 0.0000637300000000, -0.0000032900000000, 0.0000558300000000 ] - [ 0.0002917900000000, 0.0001251600000000, 0.0002637800000000 ] - [ 0.0003232800000000, -0.0001700700000000, 0.0000480000000000 ] - [ 0.0002947700000000, -0.0001372700000000, -0.0002467200000000 ] - [ 0.0007674200000000, -0.0003996100000000, -0.0001403600000000 ] - [ 0.0003684800000000, -0.0003599800000000, 0.0001392600000000 ] - [ 0.0006242100000000, -0.0006513700000000, 0.0002663600000000 ] - [ -0.0003366500000000, 0.0001812100000000, -0.0000469700000000 ] - [ -0.0001676400000000, -0.0000623100000000, -0.0000042800000000 ] - [ -0.0002873400000000, 0.0001149100000000, -0.0001276200000000 ] - [ 0.0003579000000000, -0.0003210800000000, -0.0000339900000000 ] - [ -0.0005624800000000, 0.0011204500000000, 0.0007833000000000 ] - [ 0.0002654300000000, -0.0004046900000000, 0.0000507000000000 ] - [ -0.0004800800000000, 0.0011454800000000, 0.0012692200000000 ] - [ -0.0006649900000000, 0.0004117700000000, 0.0010854400000000 ]- atom: 49 displacement: [ -0.0002521786343742, 0.0000000000000000, 0.0099968197911318 ] forces: - [ -0.0063284500000000, -0.0086179900000000, -0.0038865200000000 ] - [ -0.0098375900000000, 0.0063464800000000, -0.0003062000000000 ] - [ 0.0111994700000000, -0.0007852100000000, -0.0035672300000000 ] - [ 0.0027636500000000, 0.0012907100000000, -0.0004155100000000 ] - [ -0.0011159000000000, -0.0051351000000000, 0.0128687400000000 ] - [ 0.0075856300000000, 0.0035958500000000, 0.0046534800000000 ] - [ 0.0000171100000000, -0.0009463500000000, -0.0062629100000000 ] - [ -0.0000362100000000, 0.0013868700000000, -0.0053625600000000 ] - [ -0.0083886300000000, -0.0086871800000000, 0.0278046200000000 ] - [ -0.0030492300000000, 0.0019364600000000, 0.0103208200000000 ] - [ 0.0033207600000000, -0.0105894700000000, -0.0200207000000000 ] - [ -0.0038829000000000, 0.0122061800000000, -0.0114538200000000 ] - [ -0.0308665800000000, -0.0716465500000000, 0.1007865500000000 ] - [ 0.0010554600000000, 0.0053883200000000, 0.0073826700000000 ] - [ -0.0045665800000000, -0.0128406400000000, -0.0187896400000000 ] - [ 0.0036563100000000, 0.0069069200000000, -0.0124173500000000 ] - [ 0.0018929200000000, -0.0000906200000000, 0.0000072100000000 ] - [ 0.0020900100000000, 0.0001707000000000, 0.0001158900000000 ] - [ -0.0004625900000000, 0.0000799300000000, -0.0004263000000000 ] - [ -0.0017183300000000, 0.0015204200000000, -0.0010619700000000 ] - [ -0.0004072600000000, -0.0012631800000000, 0.0010588700000000 ] - [ 0.0004015400000000, -0.0001405600000000, 0.0012223300000000 ] - [ -0.0004056200000000, -0.0008094000000000, -0.0020964000000000 ] - [ 0.0006273700000000, -0.0002706900000000, -0.0016620200000000 ] - [ -0.0002618200000000, -0.0002634200000000, 0.0003021100000000 ] - [ -0.0002232300000000, -0.0001711100000000, 0.0003009900000000 ] - [ -0.0007588500000000, -0.0001176700000000, -0.0003324500000000 ] - [ -0.0006075700000000, 0.0000717900000000, -0.0004755800000000 ] - [ -0.0003324800000000, 0.0000088700000000, 0.0002969300000000 ] - [ -0.0004851100000000, 0.0001824900000000, 0.0003658200000000 ] - [ -0.0005029800000000, 0.0000103100000000, -0.0004471200000000 ] - [ -0.0005100100000000, 0.0002952800000000, -0.0003511100000000 ] - [ 0.0033622500000000, -0.0024748100000000, 0.0075960700000000 ] - [ -0.0054296200000000, 0.0058863900000000, 0.0051820800000000 ] - [ 0.0009883700000000, 0.0002206700000000, -0.0029946200000000 ] - [ 0.0002301500000000, 0.0000811400000000, -0.0025416100000000 ] - [ 0.0047189300000000, -0.0051019400000000, 0.0012900200000000 ] - [ 0.0053641400000000, 0.0036203400000000, -0.0016291500000000 ] - [ -0.0056080100000000, -0.0006585600000000, -0.0063244500000000 ] - [ -0.0009361500000000, -0.0003863100000000, -0.0001611100000000 ] - [ 0.0007396000000000, -0.0002874700000000, 0.0009893100000000 ] - [ 0.0003946300000000, 0.0003663000000000, 0.0002432300000000 ] - [ -0.0003904900000000, -0.0000808100000000, -0.0008214500000000 ] - [ -0.0003888900000000, 0.0001017300000000, -0.0007031300000000 ] - [ -0.0009280000000000, 0.0002133500000000, 0.0003779900000000 ] - [ -0.0002862200000000, 0.0003438400000000, 0.0007386500000000 ] - [ 0.0006652100000000, -0.0005529300000000, -0.0006367800000000 ] - [ 0.0005258700000000, 0.0001940300000000, -0.0002844100000000 ] - [ 0.0261568700000000, 0.1382745800000000, -0.2140003100000000 ] - [ 0.0005560900000000, -0.0011726500000000, -0.0019118200000000 ] - [ -0.0004199300000000, -0.0038977400000000, 0.0099309700000000 ] - [ -0.0004740100000000, -0.0043236600000000, 0.0051406400000000 ] - [ -0.0004241500000000, 0.0023402100000000, -0.0026965900000000 ] - [ 0.0009989400000000, 0.0000263700000000, -0.0016053500000000 ] - [ -0.0016649600000000, -0.0031401400000000, 0.0043852700000000 ] - [ -0.0006307300000000, -0.0012831400000000, 0.0020279200000000 ] - [ 0.0222574900000000, 0.0026772700000000, 0.0029833100000000 ] - [ 0.0001050900000000, -0.0022857900000000, -0.0027174400000000 ] - [ -0.0013085200000000, 0.0018528500000000, 0.0029543600000000 ] - [ -0.0007833100000000, -0.0007910400000000, 0.0013365800000000 ] - [ -0.0008295400000000, 0.0083882800000000, 0.0336672100000000 ] - [ -0.0001279300000000, -0.0031735200000000, -0.0022048900000000 ] - [ -0.0013260000000000, 0.0178721700000000, 0.0331576200000000 ] - [ 0.0002211200000000, -0.0039350100000000, -0.0021645800000000 ] - [ 0.0000968600000000, 0.0006830000000000, -0.0012479800000000 ] - [ -0.0020017200000000, -0.0006904000000000, -0.0011012300000000 ] - [ 0.0001662700000000, 0.0003373500000000, 0.0006802800000000 ] - [ -0.0002830200000000, -0.0000939300000000, 0.0004831800000000 ] - [ -0.0191245500000000, -0.0165940700000000, -0.0020515900000000 ] - [ -0.0004226100000000, 0.0022565200000000, -0.0024753400000000 ] - [ 0.0032357600000000, 0.0014522000000000, 0.0024256900000000 ] - [ 0.0015022900000000, -0.0010656600000000, 0.0034811600000000 ] - [ 0.0020620100000000, -0.0001726000000000, 0.0006122500000000 ] - [ 0.0023817500000000, -0.0015855000000000, 0.0008414900000000 ] - [ -0.0034984500000000, 0.0010813300000000, -0.0004894900000000 ] - [ -0.0009376300000000, -0.0000931800000000, -0.0001698300000000 ] - [ 0.0024142600000000, -0.0042785500000000, -0.0102319500000000 ] - [ -0.0074054000000000, -0.0136096600000000, -0.0141610100000000 ] - [ -0.0009675100000000, 0.0015905300000000, 0.0047961000000000 ] - [ 0.0007875500000000, 0.0024422200000000, 0.0047227700000000 ] - [ 0.0248255700000000, -0.0154467900000000, 0.0083810400000000 ] - [ 0.0001204100000000, 0.0000404200000000, -0.0015526300000000 ] - [ -0.0013839200000000, 0.0026697600000000, 0.0020394000000000 ] - [ -0.0008445500000000, -0.0004348300000000, 0.0019153500000000 ] - [ -0.0140439700000000, 0.0059586500000000, 0.0004680700000000 ] - [ 0.0002520400000000, -0.0016675800000000, -0.0002919800000000 ] - [ 0.0024889100000000, -0.0006754700000000, 0.0021858900000000 ] - [ 0.0019926100000000, -0.0034432900000000, 0.0028135700000000 ] - [ 0.0006224700000000, 0.0036293400000000, -0.0008116000000000 ] - [ 0.0169494000000000, -0.0251654700000000, 0.0185773700000000 ] - [ -0.0128219800000000, -0.0130470200000000, 0.0268348700000000 ] - [ -0.0017626500000000, 0.0023260200000000, -0.0014280700000000 ] - [ -0.0003865500000000, -0.0001183200000000, -0.0008818300000000 ] - [ -0.0018465500000000, -0.0010311900000000, -0.0009221100000000 ] - [ 0.0007631600000000, 0.0017581500000000, 0.0030929600000000 ] - [ 0.0000719000000000, 0.0023669900000000, 0.0030710000000000 ] - [ 0.0001068000000000, 0.0004164600000000, -0.0006236900000000 ] - [ 0.0000694700000000, 0.0004094200000000, -0.0006258500000000 ] - [ 0.0000900800000000, 0.0001138800000000, -0.0000813900000000 ] - [ 0.0001364500000000, 0.0001000500000000, -0.0000813000000000 ] - [ -0.0005717100000000, -0.0000461100000000, -0.0002718900000000 ] - [ -0.0005592500000000, -0.0004287700000000, -0.0002014000000000 ] - [ 0.0000541500000000, -0.0005485800000000, 0.0012424200000000 ] - [ -0.0003989500000000, -0.0012498400000000, 0.0016701100000000 ] - [ 0.0004313400000000, 0.0000282200000000, -0.0004894300000000 ] - [ 0.0003697900000000, 0.0001478000000000, -0.0003022300000000 ] - [ 0.0008283600000000, 0.0006960100000000, 0.0003664400000000 ] - [ 0.0005837900000000, 0.0005509100000000, 0.0002785100000000 ] - [ 0.0001105100000000, -0.0002773300000000, -0.0003631900000000 ] - [ 0.0001358500000000, -0.0002591300000000, -0.0003420900000000 ] - [ 0.0000763800000000, -0.0002568600000000, -0.0003626800000000 ] - [ 0.0000413100000000, -0.0002373100000000, -0.0003430400000000 ] - [ 0.0007638800000000, 0.0016496700000000, -0.0022544100000000 ] - [ -0.0008453400000000, 0.0009817700000000, -0.0016736500000000 ] - [ 0.0008348900000000, -0.0006415300000000, 0.0017082400000000 ] - [ -0.0003911500000000, -0.0003648200000000, 0.0006045600000000 ] - [ 0.0001855300000000, 0.0002799600000000, -0.0002446100000000 ] - [ 0.0000419800000000, -0.0000049300000000, -0.0001152200000000 ] - [ 0.0002457800000000, -0.0002153200000000, 0.0004591200000000 ] - [ 0.0002174700000000, -0.0002892900000000, 0.0004417800000000 ] - [ -0.0016373900000000, 0.0008146500000000, 0.0004183100000000 ] - [ -0.0024488700000000, 0.0023460700000000, 0.0008833600000000 ] - [ 0.0001325100000000, -0.0002498600000000, -0.0001849900000000 ] - [ 0.0025329300000000, -0.0017209300000000, 0.0002460500000000 ] - [ -0.0001336800000000, 0.0000235100000000, -0.0003391400000000 ] - [ -0.0003017300000000, -0.0001220000000000, -0.0003166200000000 ] - [ 0.0001761800000000, 0.0002016600000000, 0.0002174700000000 ] - [ -0.0001359800000000, 0.0000166400000000, 0.0001544900000000 ] - [ -0.0001426400000000, 0.0002390500000000, 0.0000484100000000 ] - [ 0.0000552100000000, 0.0000111700000000, 0.0000444400000000 ] - [ 0.0003794500000000, 0.0000008000000000, 0.0002181000000000 ] - [ 0.0003595500000000, -0.0001371500000000, 0.0001011400000000 ] - [ 0.0005551600000000, -0.0002667900000000, -0.0002338600000000 ] - [ 0.0007182000000000, -0.0002646900000000, -0.0003156200000000 ] - [ 0.0003462900000000, -0.0004147400000000, 0.0002134300000000 ] - [ 0.0005284900000000, -0.0007133700000000, 0.0004302400000000 ] - [ -0.0003744500000000, 0.0001621300000000, -0.0000456500000000 ] - [ -0.0004243300000000, 0.0001550600000000, 0.0000009100000000 ] - [ 0.0000698500000000, -0.0000604100000000, -0.0000546700000000 ] - [ 0.0004201100000000, -0.0003184900000000, -0.0000426900000000 ] - [ -0.0000011400000000, 0.0005957900000000, 0.0004658500000000 ] - [ 0.0002767100000000, -0.0001502400000000, 0.0001884900000000 ] - [ -0.0008770300000000, 0.0010819700000000, 0.0016561800000000 ] - [ -0.0008235400000000, 0.0009005300000000, 0.0014903400000000 ]- atom: 49 displacement: [ 0.0002521786343742, 0.0000000000000000, -0.0099968197911318 ] forces: - [ 0.0070770700000000, 0.0095127700000000, 0.0033130700000000 ] - [ 0.0105311200000000, -0.0054468100000000, -0.0002905800000000 ] - [ -0.0104868600000000, 0.0016802000000000, 0.0029018800000000 ] - [ -0.0020362100000000, -0.0004105500000000, -0.0002417900000000 ] - [ 0.0019477800000000, 0.0042380600000000, -0.0134964000000000 ] - [ -0.0068229200000000, -0.0044692300000000, -0.0052704900000000 ] - [ 0.0006920200000000, 0.0000714000000000, 0.0056259800000000 ] - [ 0.0007467300000000, -0.0022675300000000, 0.0047347800000000 ] - [ 0.0082483300000000, 0.0062753200000000, -0.0264309000000000 ] - [ 0.0023280900000000, -0.0021230800000000, -0.0103293600000000 ] - [ -0.0041044000000000, 0.0104244300000000, 0.0199595000000000 ] - [ 0.0031358500000000, -0.0124915600000000, 0.0113733800000000 ] - [ 0.0324286000000000, 0.0769476400000000, -0.1062621500000000 ] - [ -0.0018386500000000, -0.0052356300000000, -0.0075224300000000 ] - [ 0.0037645800000000, 0.0128916100000000, 0.0186047700000000 ] - [ -0.0043940600000000, -0.0066150200000000, 0.0123223600000000 ] - [ -0.0011492600000000, 0.0009636100000000, -0.0006194800000000 ] - [ -0.0013561100000000, 0.0007135200000000, -0.0007347800000000 ] - [ 0.0011798900000000, 0.0008081400000000, -0.0002192900000000 ] - [ 0.0024669100000000, -0.0006474200000000, 0.0004322100000000 ] - [ 0.0011400300000000, 0.0003956100000000, -0.0016828300000000 ] - [ 0.0003168100000000, -0.0007571700000000, -0.0018509100000000 ] - [ 0.0011512600000000, -0.0000647200000000, 0.0014720300000000 ] - [ 0.0001207400000000, -0.0006119400000000, 0.0010342500000000 ] - [ -0.0005010600000000, 0.0000210200000000, -0.0003660900000000 ] - [ -0.0005378500000000, -0.0000710600000000, -0.0003657800000000 ] - [ -0.0000041800000000, -0.0001204500000000, 0.0002611900000000 ] - [ -0.0001555200000000, -0.0003161500000000, 0.0004057300000000 ] - [ -0.0004361000000000, 0.0002332000000000, -0.0003656600000000 ] - [ -0.0002756800000000, 0.0000591200000000, -0.0004358800000000 ] - [ -0.0002571600000000, 0.0002330600000000, 0.0003798400000000 ] - [ -0.0002489100000000, -0.0000545700000000, 0.0002864700000000 ] - [ -0.0032596300000000, 0.0023617600000000, -0.0075932700000000 ] - [ 0.0056340600000000, -0.0059030800000000, -0.0052143500000000 ] - [ -0.0007698600000000, -0.0002181800000000, 0.0029974400000000 ] - [ -0.0000226600000000, -0.0000821300000000, 0.0025488600000000 ] - [ -0.0045444300000000, 0.0051144700000000, -0.0012353900000000 ] - [ -0.0051343800000000, -0.0036070300000000, 0.0016328000000000 ] - [ 0.0058240300000000, 0.0006652300000000, 0.0063420400000000 ] - [ 0.0011390400000000, 0.0003831200000000, 0.0001458500000000 ] - [ -0.0005493200000000, 0.0002845100000000, -0.0009870700000000 ] - [ -0.0002041500000000, -0.0003641600000000, -0.0002430800000000 ] - [ 0.0005754300000000, 0.0000772800000000, 0.0008288000000000 ] - [ 0.0005745900000000, -0.0001047500000000, 0.0007068500000000 ] - [ 0.0011181900000000, -0.0002124000000000, -0.0003726800000000 ] - [ 0.0004772300000000, -0.0003418000000000, -0.0007302800000000 ] - [ -0.0004772200000000, 0.0005549000000000, 0.0006345900000000 ] - [ -0.0003413600000000, -0.0001927800000000, 0.0002851100000000 ] - [ -0.0287117600000000, -0.1404123700000000, 0.2171852700000000 ] - [ -0.0003932100000000, 0.0016935000000000, 0.0012000400000000 ] - [ 0.0005678200000000, 0.0044067000000000, -0.0105894700000000 ] - [ 0.0006263800000000, 0.0048342000000000, -0.0058391500000000 ] - [ -0.0002454700000000, -0.0034587900000000, 0.0041873800000000 ] - [ -0.0016666500000000, -0.0011299000000000, 0.0030824300000000 ] - [ 0.0010034600000000, 0.0020166900000000, -0.0028775400000000 ] - [ -0.0000336500000000, 0.0001561900000000, -0.0005183100000000 ] - [ -0.0212125300000000, -0.0019166800000000, -0.0030954700000000 ] - [ 0.0008864000000000, 0.0030213200000000, 0.0026934900000000 ] - [ 0.0023221700000000, -0.0011042000000000, -0.0029608100000000 ] - [ 0.0017895100000000, 0.0015422300000000, -0.0013431400000000 ] - [ 0.0009860600000000, -0.0088289600000000, -0.0337423800000000 ] - [ 0.0002829700000000, 0.0026281600000000, 0.0014740800000000 ] - [ 0.0014915600000000, -0.0185234500000000, -0.0342242300000000 ] - [ -0.0000688900000000, 0.0034556100000000, 0.0014966100000000 ] - [ -0.0007413500000000, -0.0003742800000000, 0.0010521700000000 ] - [ 0.0013522500000000, 0.0009938700000000, 0.0009041200000000 ] - [ -0.0007926600000000, -0.0000226200000000, -0.0008719300000000 ] - [ -0.0003373200000000, 0.0004104800000000, -0.0006707100000000 ] - [ 0.0191629000000000, 0.0163657300000000, 0.0021528200000000 ] - [ 0.0006727000000000, -0.0024120200000000, 0.0026612800000000 ] - [ -0.0030245400000000, -0.0015737700000000, -0.0022124100000000 ] - [ -0.0012666800000000, 0.0009602600000000, -0.0032707900000000 ] - [ -0.0027003300000000, -0.0001402400000000, -0.0008105000000000 ] - [ -0.0030115500000000, 0.0012725400000000, -0.0010331200000000 ] - [ 0.0028619800000000, -0.0013917000000000, 0.0003005700000000 ] - [ 0.0003144600000000, -0.0002246100000000, -0.0000170700000000 ] - [ -0.0027423300000000, 0.0044650700000000, 0.0101293700000000 ] - [ 0.0071164600000000, 0.0135659500000000, 0.0142083300000000 ] - [ 0.0007161400000000, -0.0015826200000000, -0.0049090800000000 ] - [ -0.0010296500000000, -0.0024004000000000, -0.0048177000000000 ] - [ -0.0248073800000000, 0.0156735100000000, -0.0081856900000000 ] - [ 0.0001117400000000, 0.0000877500000000, 0.0017764300000000 ] - [ 0.0015713900000000, -0.0025422800000000, -0.0018450500000000 ] - [ 0.0010756500000000, 0.0005350400000000, -0.0017046700000000 ] - [ 0.0150679800000000, -0.0067239800000000, -0.0004288200000000 ] - [ 0.0007338900000000, 0.0009300100000000, 0.0002916200000000 ] - [ -0.0014612200000000, -0.0000670100000000, -0.0022094300000000 ] - [ -0.0009848700000000, 0.0026877200000000, -0.0028240900000000 ] - [ -0.0008754000000000, -0.0036233200000000, 0.0006698800000000 ] - [ -0.0171142600000000, 0.0249665100000000, -0.0184915800000000 ] - [ 0.0126445300000000, 0.0130976000000000, -0.0271722000000000 ] - [ 0.0015090100000000, -0.0023607600000000, 0.0013485200000000 ] - [ -0.0002833300000000, 0.0012456900000000, 0.0023952500000000 ] - [ 0.0011798900000000, 0.0021534000000000, 0.0024284400000000 ] - [ -0.0014191200000000, -0.0006406400000000, -0.0015968900000000 ] - [ -0.0007351400000000, -0.0012546600000000, -0.0015839200000000 ] - [ 0.0000490400000000, 0.0001009500000000, -0.0000818700000000 ] - [ 0.0000894800000000, 0.0001090900000000, -0.0000820600000000 ] - [ 0.0000668200000000, 0.0004037600000000, -0.0006243500000000 ] - [ 0.0000220100000000, 0.0004191300000000, -0.0006276200000000 ] - [ -0.0000854100000000, -0.0010688000000000, 0.0017608900000000 ] - [ -0.0001066600000000, -0.0006815600000000, 0.0016935000000000 ] - [ -0.0007241700000000, -0.0005755400000000, 0.0002634500000000 ] - [ -0.0002671900000000, 0.0001335000000000, -0.0001733500000000 ] - [ 0.0005663200000000, 0.0007151300000000, 0.0004743500000000 ] - [ 0.0006279100000000, 0.0005946400000000, 0.0002842500000000 ] - [ 0.0001679500000000, 0.0000452600000000, -0.0003808300000000 ] - [ 0.0004171900000000, 0.0001986300000000, -0.0002870000000000 ] - [ 0.0000464900000000, -0.0002425000000000, -0.0003465900000000 ] - [ 0.0000203600000000, -0.0002598300000000, -0.0003651900000000 ] - [ 0.0000829400000000, -0.0002620400000000, -0.0003446200000000 ] - [ 0.0001159900000000, -0.0002792100000000, -0.0003609400000000 ] - [ -0.0014050700000000, -0.0013450600000000, 0.0020674700000000 ] - [ 0.0002393700000000, -0.0006220200000000, 0.0014530300000000 ] - [ -0.0014822000000000, 0.0009490800000000, -0.0019037400000000 ] - [ -0.0002546700000000, 0.0006676200000000, -0.0007923300000000 ] - [ 0.0000620200000000, -0.0003839400000000, 0.0004584600000000 ] - [ 0.0002023100000000, -0.0000995500000000, 0.0003283600000000 ] - [ 0.0000011100000000, 0.0001100900000000, -0.0002454900000000 ] - [ 0.0000233300000000, 0.0001832900000000, -0.0002293600000000 ] - [ 0.0009919700000000, -0.0011229200000000, -0.0006174100000000 ] - [ 0.0018208700000000, -0.0026737900000000, -0.0010840500000000 ] - [ -0.0007442300000000, -0.0000448800000000, 0.0000293700000000 ] - [ -0.0031868700000000, 0.0014191600000000, -0.0004403400000000 ] - [ -0.0001275400000000, -0.0000107900000000, 0.0002278500000000 ] - [ 0.0000411300000000, 0.0001377200000000, 0.0002030600000000 ] - [ -0.0004402700000000, -0.0001907800000000, -0.0003287400000000 ] - [ -0.0001281200000000, -0.0000030000000000, -0.0002661000000000 ] - [ 0.0003980500000000, -0.0001379700000000, 0.0001698400000000 ] - [ 0.0001886400000000, 0.0000950700000000, 0.0001687900000000 ] - [ -0.0001300300000000, 0.0001004300000000, -0.0000051300000000 ] - [ -0.0001246900000000, 0.0002455100000000, 0.0001073000000000 ] - [ 0.0004449900000000, -0.0004767200000000, 0.0002198900000000 ] - [ 0.0002779400000000, -0.0004807100000000, 0.0003035300000000 ] - [ 0.0006487400000000, -0.0003258500000000, -0.0002298700000000 ] - [ 0.0004699500000000, -0.0000292900000000, -0.0004471700000000 ] - [ 0.0001099700000000, -0.0001744300000000, -0.0000676900000000 ] - [ 0.0001612800000000, -0.0001666000000000, -0.0001154400000000 ] - [ -0.0003246300000000, 0.0000426800000000, -0.0000532000000000 ] - [ -0.0006849700000000, 0.0003064700000000, -0.0000676400000000 ] - [ -0.0006559400000000, 0.0005170800000000, 0.0010346000000000 ] - [ -0.0009451700000000, 0.0012761600000000, 0.0013163600000000 ] - [ 0.0002097700000000, 0.0000362400000000, -0.0001614400000000 ] - [ 0.0001554400000000, 0.0002138600000000, 0.0000044000000000 ]- atom: 53 displacement: [ 0.0099999998410115, 0.0000000000000000, -0.0000017831910382 ] forces: - [ 0.0348271300000000, 0.0309006000000000, -0.0422445300000000 ] - [ 0.0052088100000000, 0.0014142300000000, 0.0013181900000000 ] - [ 0.0033755400000000, 0.0008162900000000, 0.0006034600000000 ] - [ 0.0025307500000000, 0.0002402600000000, 0.0001957000000000 ] - [ 0.0062516100000000, -0.0007715800000000, -0.0023537500000000 ] - [ 0.0207473000000000, -0.0208319900000000, 0.0213558900000000 ] - [ 0.0027439800000000, -0.0019140500000000, 0.0017354200000000 ] - [ 0.0023759700000000, 0.0002732300000000, 0.0011945900000000 ] - [ -0.0027573000000000, -0.0024874300000000, -0.0002659800000000 ] - [ -0.0050998400000000, 0.0054994600000000, 0.0008128600000000 ] - [ 0.0003173900000000, -0.0010384000000000, 0.0000608500000000 ] - [ 0.0000550100000000, 0.0000348600000000, -0.0001478400000000 ] - [ -0.0026201600000000, -0.0048345000000000, -0.0049179600000000 ] - [ -0.0001745100000000, 0.0014127700000000, -0.0016511600000000 ] - [ -0.0018862500000000, -0.0013381100000000, 0.0036555800000000 ] - [ -0.0001500700000000, 0.0008221200000000, 0.0012606000000000 ] - [ -0.0012064800000000, 0.0003552900000000, -0.0006330000000000 ] - [ -0.0015241000000000, 0.0005170500000000, -0.0004795500000000 ] - [ -0.0010662800000000, 0.0004124800000000, -0.0003446200000000 ] - [ -0.0011343800000000, 0.0005498500000000, -0.0004648800000000 ] - [ -0.0014827600000000, -0.0005393400000000, -0.0004554900000000 ] - [ -0.0013693700000000, -0.0003779100000000, -0.0004108000000000 ] - [ -0.0010904500000000, -0.0002714100000000, -0.0006577000000000 ] - [ -0.0011298000000000, -0.0006346200000000, -0.0005124200000000 ] - [ -0.0020939400000000, 0.0008057800000000, -0.0003279700000000 ] - [ -0.0031543000000000, -0.0012750500000000, -0.0008598800000000 ] - [ -0.0011975900000000, 0.0003242600000000, 0.0003653500000000 ] - [ -0.0011201900000000, -0.0001668700000000, 0.0001405900000000 ] - [ -0.0025479800000000, 0.0004211400000000, 0.0003123700000000 ] - [ -0.0020224400000000, -0.0002237900000000, 0.0006803500000000 ] - [ -0.0008850700000000, -0.0002132500000000, -0.0004460000000000 ] - [ -0.0028525900000000, 0.0004581100000000, -0.0014124500000000 ] - [ -0.0008207000000000, -0.0001382500000000, -0.0002239400000000 ] - [ -0.0013075900000000, 0.0001899900000000, -0.0003335700000000 ] - [ -0.0006383700000000, -0.0001445700000000, -0.0000239600000000 ] - [ -0.0007693100000000, 0.0001674100000000, 0.0001119400000000 ] - [ -0.0012371600000000, -0.0002034800000000, -0.0000008000000000 ] - [ -0.0008646100000000, 0.0000905000000000, -0.0000043200000000 ] - [ -0.0007536400000000, 0.0000813200000000, -0.0004420000000000 ] - [ -0.0005588100000000, 0.0000529000000000, -0.0001905100000000 ] - [ -0.0019715700000000, 0.0039365100000000, 0.0020257500000000 ] - [ -0.0006455000000000, -0.0012708500000000, 0.0014513700000000 ] - [ 0.0009413500000000, 0.0005717500000000, -0.0000163700000000 ] - [ 0.0010488600000000, -0.0005752400000000, -0.0003376200000000 ] - [ 0.0008330800000000, -0.0001094300000000, -0.0010468300000000 ] - [ -0.0032945900000000, -0.0057185600000000, -0.0034856900000000 ] - [ 0.0006750500000000, 0.0001122700000000, 0.0008321100000000 ] - [ 0.0006294400000000, -0.0003054100000000, 0.0006475800000000 ] - [ 0.0007685800000000, 0.0010088600000000, -0.0004218400000000 ] - [ 0.0005344400000000, -0.0016762900000000, 0.0009895100000000 ] - [ 0.0003161800000000, 0.0013961800000000, -0.0016798800000000 ] - [ 0.0001046100000000, 0.0003666000000000, -0.0006506400000000 ] - [ -0.0672359200000000, -0.0103466500000000, 0.0265191100000000 ] - [ -0.0013694200000000, -0.0003488200000000, 0.0011992600000000 ] - [ -0.0007780500000000, -0.0003423000000000, 0.0002391800000000 ] - [ -0.0007333400000000, -0.0000997900000000, 0.0001880600000000 ] - [ 0.0023179800000000, 0.0082412700000000, 0.0008269100000000 ] - [ 0.0011089800000000, -0.0092633200000000, -0.0026290900000000 ] - [ -0.0002615500000000, -0.0000339200000000, -0.0003857200000000 ] - [ -0.0001500200000000, -0.0000403600000000, -0.0002532400000000 ] - [ 0.0005079600000000, 0.0002006000000000, -0.0003924500000000 ] - [ 0.0005040100000000, -0.0018691200000000, -0.0018539000000000 ] - [ 0.0000951000000000, 0.0006331700000000, 0.0007329900000000 ] - [ 0.0000974600000000, -0.0002386100000000, 0.0000528300000000 ] - [ -0.0021503200000000, -0.0040347400000000, -0.0010041100000000 ] - [ 0.0000601200000000, 0.0098757700000000, -0.0060698400000000 ] - [ -0.0017658200000000, -0.0003412900000000, -0.0006365600000000 ] - [ -0.0014605500000000, -0.0001733700000000, -0.0004138800000000 ] - [ 0.0011688900000000, 0.0004890700000000, 0.0002991000000000 ] - [ 0.0019213500000000, 0.0003905000000000, 0.0002738800000000 ] - [ 0.0004636400000000, 0.0001609700000000, 0.0001487900000000 ] - [ 0.0003459000000000, -0.0000307700000000, 0.0001632700000000 ] - [ -0.0098382200000000, -0.0015563000000000, 0.0055006600000000 ] - [ -0.0035554600000000, 0.0016591700000000, 0.0003754300000000 ] - [ -0.0022055500000000, -0.0004550700000000, -0.0014302300000000 ] - [ -0.0015510100000000, 0.0003942100000000, -0.0007939300000000 ] - [ -0.0009136800000000, 0.0000251400000000, 0.0004818100000000 ] - [ 0.0149922100000000, -0.0017658600000000, 0.0092023100000000 ] - [ -0.0006622000000000, -0.0001012400000000, -0.0002651200000000 ] - [ -0.0008826500000000, -0.0006631300000000, -0.0007525400000000 ] - [ 0.0018555800000000, -0.0000585200000000, 0.0008048300000000 ] - [ 0.0007636900000000, -0.0002525200000000, 0.0004202000000000 ] - [ 0.0012654500000000, -0.0002613500000000, -0.0001002700000000 ] - [ 0.0005738900000000, -0.0001734700000000, 0.0000408000000000 ] - [ -0.0009569100000000, 0.0003154900000000, 0.0005101000000000 ] - [ 0.0023042900000000, -0.0010384100000000, -0.0000304600000000 ] - [ 0.0024902500000000, 0.0012433200000000, -0.0028625400000000 ] - [ -0.0001569500000000, -0.0002904900000000, -0.0004152000000000 ] - [ 0.0087312100000000, -0.0005956000000000, -0.0062989000000000 ] - [ -0.0005810300000000, 0.0005147900000000, -0.0005210500000000 ] - [ -0.0012935700000000, 0.0001408200000000, 0.0006413100000000 ] - [ -0.0009435600000000, 0.0002751500000000, 0.0000792400000000 ] - [ -0.0008666700000000, 0.0007788400000000, 0.0008790400000000 ] - [ -0.0028402600000000, 0.0016780400000000, -0.0006883900000000 ] - [ -0.0008669400000000, 0.0006058600000000, 0.0005360700000000 ] - [ -0.0028359400000000, -0.0018035200000000, -0.0002780400000000 ] - [ 0.0006346200000000, 0.0008441800000000, -0.0005663600000000 ] - [ 0.0010593000000000, 0.0002991900000000, -0.0005740500000000 ] - [ 0.0001725500000000, 0.0003646400000000, -0.0004168500000000 ] - [ 0.0000962300000000, -0.0001515500000000, 0.0000381700000000 ] - [ 0.0000712800000000, -0.0005387600000000, 0.0007882400000000 ] - [ 0.0000711500000000, -0.0005736900000000, 0.0007496500000000 ] - [ -0.0000044000000000, -0.0005550100000000, 0.0007689200000000 ] - [ -0.0000031300000000, -0.0005958400000000, 0.0008140400000000 ] - [ 0.0013603700000000, 0.0006406500000000, 0.0000460900000000 ] - [ 0.0014599900000000, 0.0008644300000000, 0.0000040800000000 ] - [ 0.0010744500000000, 0.0005854200000000, 0.0000255800000000 ] - [ 0.0010449700000000, 0.0006285000000000, 0.0000113500000000 ] - [ 0.0009029400000000, -0.0004933800000000, -0.0000036100000000 ] - [ 0.0000606400000000, 0.0003429100000000, 0.0002616900000000 ] - [ 0.0005771000000000, -0.0004067800000000, -0.0008882700000000 ] - [ 0.0003762900000000, -0.0005913100000000, -0.0008381700000000 ] - [ 0.0007856200000000, 0.0005536200000000, 0.0001054400000000 ] - [ 0.0006554700000000, 0.0005018200000000, 0.0000631800000000 ] - [ 0.0006019400000000, 0.0003979200000000, 0.0001331000000000 ] - [ 0.0005042700000000, 0.0004640500000000, 0.0000582500000000 ] - [ 0.0002664600000000, -0.0005233000000000, 0.0008178300000000 ] - [ 0.0030725100000000, 0.0036019400000000, -0.0013064300000000 ] - [ 0.0000460400000000, -0.0000630000000000, -0.0000808100000000 ] - [ 0.0001674700000000, 0.0001584400000000, 0.0001123500000000 ] - [ 0.0005726500000000, -0.0005034300000000, 0.0000292800000000 ] - [ 0.0007583900000000, -0.0006045700000000, 0.0000249700000000 ] - [ 0.0005111300000000, -0.0003840200000000, 0.0001097500000000 ] - [ 0.0006456300000000, -0.0004353200000000, 0.0001769500000000 ] - [ 0.0007582300000000, 0.0004157000000000, 0.0000193600000000 ] - [ 0.0007013500000000, 0.0002670000000000, -0.0001700100000000 ] - [ 0.0003968600000000, 0.0001258400000000, -0.0000880700000000 ] - [ 0.0007367300000000, 0.0006199300000000, 0.0003134500000000 ] - [ 0.0019733500000000, -0.0023463400000000, -0.0007427600000000 ] - [ 0.0004850500000000, -0.0001361300000000, -0.0002493800000000 ] - [ -0.0000647400000000, 0.0001931900000000, 0.0001855200000000 ] - [ 0.0021270700000000, 0.0011615000000000, 0.0028579100000000 ] - [ 0.0013348600000000, -0.0007565800000000, -0.0000967200000000 ] - [ 0.0012437900000000, -0.0006562400000000, -0.0000474600000000 ] - [ 0.0009850500000000, -0.0005299700000000, 0.0000673500000000 ] - [ 0.0015933900000000, -0.0008183100000000, 0.0002006300000000 ] - [ 0.0005412500000000, -0.0004737100000000, 0.0002023200000000 ] - [ 0.0008153900000000, -0.0004654800000000, 0.0001207500000000 ] - [ 0.0005761600000000, -0.0001339800000000, -0.0002689900000000 ] - [ 0.0005630100000000, -0.0001599300000000, -0.0001968400000000 ] - [ 0.0000150600000000, 0.0005687900000000, 0.0007542900000000 ] - [ 0.0000454300000000, 0.0004888800000000, 0.0007209600000000 ] - [ 0.0000145500000000, 0.0005802300000000, 0.0007906100000000 ] - [ 0.0000464900000000, 0.0006125900000000, 0.0008169500000000 ]- atom: 53 displacement: [ -0.0099999998410115, 0.0000000000000000, 0.0000017831910382 ] forces: - [ -0.0336607700000000, -0.0299707200000000, 0.0416510800000000 ] - [ -0.0044390400000000, -0.0005305600000000, -0.0019432500000000 ] - [ -0.0026279400000000, 0.0000291200000000, -0.0012374000000000 ] - [ -0.0017495200000000, 0.0006663600000000, -0.0008612900000000 ] - [ -0.0054816300000000, -0.0001108600000000, 0.0017346400000000 ] - [ -0.0197120100000000, 0.0199363900000000, -0.0218960800000000 ] - [ -0.0019530300000000, 0.0009709700000000, -0.0023230700000000 ] - [ -0.0016353200000000, -0.0011185900000000, -0.0017823700000000 ] - [ 0.0019818300000000, 0.0022467800000000, 0.0001915300000000 ] - [ 0.0043096100000000, -0.0057772600000000, -0.0008708700000000 ] - [ -0.0010950000000000, 0.0008029800000000, -0.0001221600000000 ] - [ -0.0008302700000000, -0.0002818400000000, 0.0000781900000000 ] - [ 0.0018581200000000, 0.0051035200000000, 0.0048663000000000 ] - [ -0.0006525000000000, -0.0011492500000000, 0.0015860300000000 ] - [ 0.0010647800000000, 0.0016236800000000, -0.0037501100000000 ] - [ -0.0006238800000000, -0.0005864500000000, -0.0013371200000000 ] - [ 0.0019347300000000, 0.0005239400000000, 0.0000042100000000 ] - [ 0.0022484900000000, 0.0003633600000000, -0.0001464800000000 ] - [ 0.0017959600000000, 0.0004691500000000, -0.0002802000000000 ] - [ 0.0018666000000000, 0.0003296800000000, -0.0001599400000000 ] - [ 0.0022097600000000, -0.0003412300000000, -0.0001705100000000 ] - [ 0.0020964600000000, -0.0005027300000000, -0.0002144500000000 ] - [ 0.0018192400000000, -0.0006050500000000, 0.0000282100000000 ] - [ 0.0018576100000000, -0.0002501800000000, -0.0001151300000000 ] - [ 0.0013183300000000, -0.0010387300000000, 0.0002619400000000 ] - [ 0.0023720100000000, 0.0010195500000000, 0.0007880900000000 ] - [ 0.0004334800000000, -0.0005594500000000, -0.0004271200000000 ] - [ 0.0003604300000000, -0.0000747200000000, -0.0002060900000000 ] - [ 0.0017660900000000, -0.0001727700000000, -0.0003748800000000 ] - [ 0.0012550300000000, 0.0004604400000000, -0.0007397700000000 ] - [ 0.0001252700000000, 0.0004518100000000, 0.0003749700000000 ] - [ 0.0020679800000000, -0.0002135300000000, 0.0013293000000000 ] - [ 0.0010039000000000, 0.0001398200000000, 0.0002291800000000 ] - [ 0.0014938000000000, -0.0001968800000000, 0.0003366900000000 ] - [ 0.0008201800000000, 0.0001392800000000, 0.0000270300000000 ] - [ 0.0009521700000000, -0.0001666900000000, -0.0001096900000000 ] - [ 0.0014204800000000, 0.0002082500000000, 0.0000018000000000 ] - [ 0.0010487400000000, -0.0000867600000000, 0.0000072200000000 ] - [ 0.0009389500000000, -0.0000801600000000, 0.0004487500000000 ] - [ 0.0007405200000000, -0.0000492400000000, 0.0001918400000000 ] - [ 0.0021387300000000, -0.0038814400000000, -0.0019827300000000 ] - [ 0.0008466700000000, 0.0012714600000000, -0.0014365100000000 ] - [ -0.0007332000000000, -0.0005665300000000, 0.0000204800000000 ] - [ -0.0008398200000000, 0.0005628700000000, 0.0003348700000000 ] - [ -0.0006318800000000, 0.0001177700000000, 0.0010424000000000 ] - [ 0.0034474200000000, 0.0056317100000000, 0.0034710000000000 ] - [ -0.0004678500000000, -0.0001063200000000, -0.0008196800000000 ] - [ -0.0004249700000000, 0.0003046800000000, -0.0006376200000000 ] - [ -0.0006110400000000, -0.0004963300000000, -0.0002787200000000 ] - [ -0.0003681100000000, 0.0022040500000000, -0.0017007500000000 ] - [ -0.0001506700000000, -0.0008862800000000, 0.0009790100000000 ] - [ 0.0000538800000000, 0.0001508800000000, -0.0000540800000000 ] - [ 0.0662094300000000, 0.0091889200000000, -0.0250646000000000 ] - [ 0.0006984200000000, -0.0007709400000000, 0.0003013600000000 ] - [ 0.0001071300000000, -0.0007712300000000, 0.0012543400000000 ] - [ 0.0000610100000000, -0.0010203300000000, 0.0013114800000000 ] - [ -0.0012970800000000, -0.0075209900000000, -0.0008061200000000 ] - [ -0.0000919800000000, 0.0100516000000000, 0.0026144200000000 ] - [ 0.0012598400000000, 0.0007793400000000, 0.0003598800000000 ] - [ 0.0011501000000000, 0.0007835100000000, 0.0002418200000000 ] - [ -0.0003430000000000, -0.0007196500000000, -0.0003108500000000 ] - [ -0.0003465500000000, 0.0013571100000000, 0.0011516900000000 ] - [ 0.0000626500000000, -0.0011588500000000, -0.0014499300000000 ] - [ 0.0000653000000000, -0.0002749400000000, -0.0007543700000000 ] - [ 0.0014852300000000, 0.0043117500000000, 0.0008053200000000 ] - [ -0.0007328300000000, -0.0094784100000000, 0.0058302800000000 ] - [ 0.0011012200000000, 0.0006434800000000, 0.0004366400000000 ] - [ 0.0008094200000000, 0.0004784200000000, 0.0002190800000000 ] - [ -0.0009217800000000, -0.0005938000000000, -0.0000851300000000 ] - [ -0.0016663300000000, -0.0004886600000000, -0.0000553800000000 ] - [ -0.0002157800000000, -0.0002643700000000, 0.0000656400000000 ] - [ -0.0000901200000000, -0.0000686300000000, 0.0000518600000000 ] - [ 0.0091799500000000, 0.0012336400000000, -0.0056837700000000 ] - [ 0.0028884500000000, -0.0019538600000000, -0.0005627700000000 ] - [ 0.0015291300000000, 0.0001509300000000, 0.0012221800000000 ] - [ 0.0008994400000000, -0.0007062700000000, 0.0005997900000000 ] - [ 0.0006496900000000, -0.0000183500000000, -0.0005966500000000 ] - [ -0.0155375200000000, 0.0018260800000000, -0.0094995200000000 ] - [ 0.0004054800000000, 0.0001239700000000, 0.0001526200000000 ] - [ 0.0006256100000000, 0.0006734100000000, 0.0006400300000000 ] - [ -0.0016173200000000, 0.0001593600000000, -0.0005949300000000 ] - [ -0.0005063500000000, 0.0003495600000000, -0.0002020400000000 ] - [ -0.0010083400000000, 0.0003596600000000, 0.0003202800000000 ] - [ -0.0003203700000000, 0.0002732700000000, 0.0001744800000000 ] - [ 0.0019564600000000, -0.0010511700000000, -0.0005274400000000 ] - [ -0.0012279000000000, 0.0001480100000000, 0.0001137900000000 ] - [ -0.0014188000000000, -0.0019106300000000, 0.0027009600000000 ] - [ 0.0011550600000000, -0.0004574500000000, 0.0004038400000000 ] - [ -0.0091405900000000, 0.0005590000000000, 0.0063370400000000 ] - [ 0.0003173400000000, -0.0005284600000000, 0.0004125000000000 ] - [ 0.0010376000000000, -0.0001525600000000, -0.0007555900000000 ] - [ 0.0006882900000000, -0.0003027300000000, -0.0001784700000000 ] - [ 0.0001923100000000, 0.0003289400000000, 0.0006151700000000 ] - [ 0.0021629200000000, -0.0005433800000000, 0.0022680600000000 ] - [ 0.0001924000000000, 0.0005294000000000, 0.0009736800000000 ] - [ 0.0021673800000000, 0.0028731600000000, 0.0016774600000000 ] - [ -0.0004751600000000, -0.0003205800000000, -0.0001420400000000 ] - [ -0.0008940200000000, 0.0002212800000000, -0.0001373300000000 ] - [ -0.0000168300000000, 0.0001545300000000, -0.0002893800000000 ] - [ 0.0000604100000000, 0.0006649600000000, -0.0007411700000000 ] - [ -0.0007348500000000, -0.0005792400000000, 0.0007102700000000 ] - [ -0.0007352200000000, -0.0005447300000000, 0.0007497700000000 ] - [ -0.0006602400000000, -0.0005629500000000, 0.0007300000000000 ] - [ -0.0006590700000000, -0.0005216300000000, 0.0006836300000000 ] - [ -0.0003580700000000, 0.0001045400000000, -0.0000592900000000 ] - [ -0.0004565800000000, -0.0001161000000000, -0.0000184100000000 ] - [ -0.0000736500000000, 0.0001580500000000, -0.0000393000000000 ] - [ -0.0000452600000000, 0.0001164600000000, -0.0000252900000000 ] - [ -0.0007378400000000, -0.0000289600000000, -0.0006999500000000 ] - [ 0.0000940800000000, -0.0008542700000000, -0.0009600400000000 ] - [ -0.0004124700000000, -0.0001130900000000, 0.0001738200000000 ] - [ -0.0002184000000000, 0.0000679100000000, 0.0001262600000000 ] - [ -0.0014132700000000, -0.0002403200000000, -0.0002953300000000 ] - [ -0.0012828600000000, -0.0001879200000000, -0.0002536600000000 ] - [ -0.0012324300000000, -0.0000849500000000, -0.0003245200000000 ] - [ -0.0011336200000000, -0.0001516300000000, -0.0002486200000000 ] - [ -0.0000213700000000, 0.0004174500000000, -0.0006001400000000 ] - [ -0.0028006700000000, -0.0036609600000000, 0.0014909200000000 ] - [ 0.0001937300000000, -0.0000456300000000, 0.0002925900000000 ] - [ 0.0000665300000000, -0.0002644900000000, 0.0001007500000000 ] - [ -0.0012012800000000, 0.0001899700000000, -0.0002200800000000 ] - [ -0.0013862300000000, 0.0002912400000000, -0.0002155100000000 ] - [ -0.0011417800000000, 0.0000718300000000, -0.0003014900000000 ] - [ -0.0012806600000000, 0.0001241200000000, -0.0003698800000000 ] - [ -0.0010137500000000, -0.0003988600000000, -0.0001284800000000 ] - [ -0.0009592400000000, -0.0002534600000000, 0.0000558200000000 ] - [ -0.0006570000000000, -0.0001144700000000, -0.0000236600000000 ] - [ -0.0009912400000000, -0.0005979700000000, -0.0004189000000000 ] - [ -0.0016983700000000, 0.0024087500000000, 0.0009454800000000 ] - [ -0.0002460600000000, 0.0002432100000000, 0.0004580700000000 ] - [ 0.0003083100000000, -0.0000884300000000, 0.0000303600000000 ] - [ -0.0018676600000000, -0.0010329500000000, -0.0026030100000000 ] - [ -0.0003324400000000, 0.0000113000000000, 0.0000806600000000 ] - [ -0.0002436600000000, -0.0000885400000000, 0.0000332900000000 ] - [ 0.0000133100000000, -0.0002127000000000, -0.0000808800000000 ] - [ -0.0005832100000000, 0.0000692500000000, -0.0002115300000000 ] - [ -0.0008002500000000, 0.0004564000000000, -0.0003107900000000 ] - [ -0.0010711500000000, 0.0004501000000000, -0.0002318600000000 ] - [ -0.0008332500000000, 0.0001192500000000, 0.0001562000000000 ] - [ -0.0008226900000000, 0.0001467600000000, 0.0000847200000000 ] - [ -0.0006788000000000, 0.0005488800000000, 0.0007434800000000 ] - [ -0.0007102100000000, 0.0006291400000000, 0.0007771900000000 ] - [ -0.0006795100000000, 0.0005381100000000, 0.0007094600000000 ] - [ -0.0007094600000000, 0.0005064700000000, 0.0006830100000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0169961600000000, 0.0586409900000000, -0.0527243300000000 ] - [ -0.0038898400000000, -0.0138518500000000, -0.0099758900000000 ] - [ 0.0035839400000000, 0.0107481600000000, 0.0085069300000000 ] - [ -0.0035276100000000, -0.0073390900000000, 0.0097494700000000 ] - [ 0.0000329400000000, -0.0122961100000000, -0.0122808400000000 ] - [ 0.0056647700000000, 0.0376768400000000, -0.0253531200000000 ] - [ 0.0040950700000000, -0.0123317000000000, 0.0087926400000000 ] - [ -0.0012135400000000, 0.0056291700000000, 0.0082101000000000 ] - [ -0.0107907200000000, -0.0070152800000000, -0.0035372800000000 ] - [ 0.0068647700000000, 0.0071391500000000, -0.0072102300000000 ] - [ -0.0004055400000000, -0.0022512300000000, 0.0033919800000000 ] - [ 0.0001197700000000, 0.0009810700000000, 0.0038552000000000 ] - [ 0.0015573000000000, 0.0075346900000000, 0.0010591200000000 ] - [ 0.0088987500000000, -0.0064063800000000, 0.0008986800000000 ] - [ -0.0092458100000000, 0.0035386100000000, 0.0019109200000000 ] - [ -0.0012151100000000, -0.0018367300000000, -0.0005072400000000 ] - [ 0.0004455200000000, 0.0002438800000000, -0.0006635600000000 ] - [ 0.0001375800000000, 0.0006589500000000, -0.0004187400000000 ] - [ 0.0005239300000000, 0.0002356600000000, -0.0001633500000000 ] - [ 0.0004768000000000, 0.0006090200000000, -0.0000160400000000 ] - [ 0.0004481200000000, -0.0002270500000000, -0.0005206000000000 ] - [ 0.0001244800000000, -0.0005489800000000, -0.0004247000000000 ] - [ 0.0006008400000000, -0.0002698400000000, -0.0002482600000000 ] - [ 0.0004055100000000, -0.0007250600000000, -0.0000195500000000 ] - [ 0.0008061000000000, 0.0013395200000000, -0.0002405000000000 ] - [ -0.0017072500000000, -0.0013945800000000, -0.0014311400000000 ] - [ 0.0004324300000000, 0.0003965800000000, 0.0009283200000000 ] - [ -0.0006587300000000, -0.0005680200000000, 0.0006573600000000 ] - [ -0.0006105000000000, -0.0008218100000000, 0.0002517300000000 ] - [ -0.0015876500000000, 0.0012109500000000, -0.0001761900000000 ] - [ 0.0014421600000000, -0.0011359400000000, 0.0005775900000000 ] - [ -0.0007279500000000, 0.0009368200000000, -0.0006030300000000 ] - [ 0.0002371900000000, -0.0004469500000000, -0.0008218000000000 ] - [ 0.0008607500000000, 0.0001237400000000, 0.0000592900000000 ] - [ -0.0002415600000000, -0.0002414600000000, 0.0001663200000000 ] - [ -0.0002664900000000, 0.0004687500000000, 0.0004345000000000 ] - [ -0.0002804800000000, 0.0004943100000000, -0.0008130200000000 ] - [ -0.0001798300000000, -0.0005684300000000, 0.0000462000000000 ] - [ 0.0002917300000000, 0.0001691700000000, 0.0004119400000000 ] - [ 0.0005094800000000, -0.0001432100000000, 0.0006098000000000 ] - [ 0.0009573800000000, 0.0028882000000000, -0.0031022000000000 ] - [ -0.0056544500000000, -0.0049083200000000, 0.0026441700000000 ] - [ 0.0048149700000000, 0.0016001200000000, 0.0053804500000000 ] - [ 0.0003706700000000, -0.0003588300000000, -0.0005624400000000 ] - [ 0.0062131800000000, -0.0062630600000000, -0.0024638700000000 ] - [ -0.0069558200000000, 0.0010159800000000, -0.0075426000000000 ] - [ 0.0002316900000000, -0.0006032100000000, 0.0014995600000000 ] - [ -0.0006881400000000, 0.0005586200000000, 0.0018523700000000 ] - [ 0.0008327200000000, -0.0020012300000000, 0.0025636100000000 ] - [ -0.0018676000000000, 0.0000700800000000, 0.0001819200000000 ] - [ 0.0012198900000000, 0.0018689800000000, -0.0029119900000000 ] - [ 0.0001848800000000, 0.0007478300000000, -0.0010710500000000 ] - [ -0.0091916900000000, -0.1691052000000000, 0.1395734300000000 ] - [ -0.0001216400000000, 0.0045280500000000, -0.0006823500000000 ] - [ -0.0001185500000000, 0.0004860000000000, -0.0034286300000000 ] - [ 0.0001266700000000, 0.0036522300000000, -0.0038286200000000 ] - [ 0.0134624400000000, 0.0230334400000000, 0.0071494600000000 ] - [ -0.0137958300000000, 0.0232747800000000, 0.0128874400000000 ] - [ -0.0000354900000000, -0.0009840700000000, -0.0030568800000000 ] - [ 0.0008349200000000, -0.0006177600000000, -0.0028814100000000 ] - [ 0.0016916500000000, 0.0004017200000000, 0.0003752300000000 ] - [ -0.0003833000000000, 0.0003857600000000, 0.0012274000000000 ] - [ 0.0000588100000000, -0.0012327900000000, -0.0015506000000000 ] - [ -0.0008212800000000, -0.0012393800000000, -0.0021918800000000 ] - [ -0.0020826000000000, 0.0059664900000000, 0.0043602700000000 ] - [ 0.0218208700000000, 0.0212257600000000, -0.0053942600000000 ] - [ -0.0016283700000000, 0.0009675200000000, -0.0028985600000000 ] - [ -0.0016513100000000, -0.0007729200000000, -0.0011877200000000 ] - [ 0.0027277100000000, 0.0014806000000000, 0.0011340900000000 ] - [ -0.0014630300000000, -0.0010814100000000, 0.0003665000000000 ] - [ 0.0002934700000000, 0.0002852400000000, -0.0002787800000000 ] - [ -0.0003478400000000, -0.0003201500000000, -0.0003901100000000 ] - [ -0.0201475900000000, 0.0135798800000000, -0.0112212000000000 ] - [ 0.0006796400000000, 0.0002023500000000, 0.0018167200000000 ] - [ 0.0011236900000000, -0.0019604200000000, -0.0005883700000000 ] - [ 0.0002453400000000, 0.0004447000000000, -0.0019575400000000 ] - [ 0.0011309900000000, 0.0038275000000000, 0.0025939100000000 ] - [ -0.0127395200000000, -0.0065378000000000, -0.0029849600000000 ] - [ 0.0010431000000000, 0.0015841500000000, -0.0008584200000000 ] - [ 0.0005848900000000, -0.0015395300000000, -0.0020897900000000 ] - [ -0.0006894600000000, -0.0003176500000000, -0.0001682300000000 ] - [ -0.0024901700000000, 0.0016111800000000, -0.0007623100000000 ] - [ 0.0026391200000000, -0.0010879000000000, 0.0005411900000000 ] - [ 0.0002224600000000, 0.0002615800000000, 0.0000864900000000 ] - [ 0.0009769300000000, -0.0027520900000000, 0.0028698100000000 ] - [ -0.0155844800000000, 0.0241716100000000, -0.0156017800000000 ] - [ 0.0121184500000000, 0.0135610200000000, -0.0236768800000000 ] - [ 0.0007933500000000, -0.0010345400000000, 0.0014414600000000 ] - [ 0.0075548000000000, -0.0076393700000000, 0.0013220800000000 ] - [ -0.0009648700000000, 0.0037165100000000, -0.0001412500000000 ] - [ -0.0012713900000000, -0.0003994400000000, -0.0011233900000000 ] - [ -0.0013199000000000, 0.0028720000000000, -0.0025259400000000 ] - [ -0.0003710500000000, 0.0055006500000000, 0.0044495200000000 ] - [ 0.0020191400000000, -0.0143943100000000, -0.0174894000000000 ] - [ -0.0005579700000000, 0.0054982700000000, 0.0036500100000000 ] - [ -0.0014186900000000, -0.0142892500000000, -0.0080008600000000 ] - [ 0.0006635600000000, 0.0010685000000000, -0.0002084800000000 ] - [ 0.0001144300000000, -0.0005413200000000, 0.0001630500000000 ] - [ 0.0001838500000000, 0.0009197200000000, -0.0010439400000000 ] - [ -0.0003290500000000, -0.0001136700000000, -0.0003536700000000 ] - [ -0.0003475700000000, -0.0006397900000000, 0.0009065000000000 ] - [ -0.0003133600000000, -0.0006411900000000, 0.0009014800000000 ] - [ -0.0003702200000000, -0.0004734100000000, 0.0006025900000000 ] - [ -0.0003288200000000, -0.0004741300000000, 0.0005890600000000 ] - [ 0.0002983000000000, 0.0002092600000000, 0.0001142400000000 ] - [ 0.0009001400000000, 0.0006586000000000, 0.0001409500000000 ] - [ 0.0002003600000000, 0.0001652800000000, -0.0001842400000000 ] - [ 0.0005573900000000, 0.0004390800000000, -0.0000943700000000 ] - [ 0.0003079300000000, -0.0008211100000000, -0.0003879300000000 ] - [ -0.0005206700000000, 0.0007043900000000, 0.0003458200000000 ] - [ 0.0002260400000000, -0.0008460500000000, -0.0008730300000000 ] - [ 0.0004103800000000, -0.0001123200000000, -0.0006887800000000 ] - [ -0.0004829900000000, -0.0001740000000000, 0.0001377700000000 ] - [ -0.0001156700000000, 0.0002379900000000, 0.0000531400000000 ] - [ -0.0003584700000000, 0.0002061500000000, -0.0002683500000000 ] - [ -0.0003571400000000, 0.0003761000000000, -0.0003437700000000 ] - [ -0.0016729000000000, -0.0014603500000000, 0.0010445100000000 ] - [ 0.0023799300000000, 0.0014295000000000, 0.0005887300000000 ] - [ -0.0008322200000000, 0.0004973000000000, -0.0011928100000000 ] - [ 0.0003054400000000, 0.0002078800000000, -0.0000952300000000 ] - [ -0.0002608300000000, -0.0000994200000000, -0.0000459800000000 ] - [ -0.0000816800000000, -0.0003319900000000, -0.0000573500000000 ] - [ -0.0005267000000000, 0.0000707000000000, -0.0000397800000000 ] - [ -0.0004864900000000, -0.0002295600000000, -0.0002526700000000 ] - [ -0.0002383400000000, 0.0001167200000000, 0.0001751900000000 ] - [ 0.0001062500000000, 0.0001144000000000, 0.0000115900000000 ] - [ -0.0004384700000000, -0.0002800400000000, -0.0003127100000000 ] - [ -0.0000148800000000, 0.0000971100000000, -0.0000546900000000 ] - [ -0.0000167000000000, 0.0001591700000000, -0.0000879200000000 ] - [ 0.0014395000000000, -0.0010726600000000, -0.0004035700000000 ] - [ -0.0024755000000000, 0.0011915100000000, -0.0005696800000000 ] - [ 0.0008944100000000, 0.0004056300000000, 0.0013778700000000 ] - [ 0.0005328700000000, -0.0003138800000000, -0.0000592200000000 ] - [ 0.0007023900000000, -0.0005595600000000, -0.0000154900000000 ] - [ 0.0000077400000000, -0.0000562800000000, -0.0000286700000000 ] - [ 0.0006547100000000, -0.0004940900000000, 0.0000656200000000 ] - [ -0.0004012900000000, 0.0000212300000000, 0.0000778600000000 ] - [ 0.0000709000000000, -0.0002391400000000, 0.0001833700000000 ] - [ -0.0002560700000000, 0.0002718800000000, -0.0003280600000000 ] - [ -0.0000026800000000, -0.0000172000000000, -0.0002019600000000 ] - [ -0.0003542300000000, 0.0005556100000000, 0.0007465600000000 ] - [ -0.0003862700000000, 0.0005638600000000, 0.0007270500000000 ] - [ -0.0003435600000000, 0.0005556800000000, 0.0007670800000000 ] - [ -0.0002630400000000, 0.0005633800000000, 0.0007508400000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0174024500000000, -0.0591504900000000, 0.0554140700000000 ] - [ 0.0045909700000000, 0.0146939700000000, 0.0092815800000000 ] - [ -0.0028051600000000, -0.0097762300000000, -0.0090340400000000 ] - [ 0.0042653900000000, 0.0081816400000000, -0.0103122300000000 ] - [ 0.0006818300000000, 0.0113518100000000, 0.0116503200000000 ] - [ -0.0056784400000000, -0.0364998900000000, 0.0221900000000000 ] - [ -0.0033419100000000, 0.0114179500000000, -0.0094001700000000 ] - [ 0.0019315300000000, -0.0064470300000000, -0.0087207200000000 ] - [ 0.0100655200000000, 0.0067570700000000, 0.0034705900000000 ] - [ -0.0076490500000000, -0.0072682900000000, 0.0071296100000000 ] - [ -0.0003408300000000, 0.0019956100000000, -0.0034479700000000 ] - [ -0.0008736000000000, -0.0012134200000000, -0.0039030300000000 ] - [ -0.0023390400000000, -0.0073210000000000, -0.0011646700000000 ] - [ -0.0096021100000000, 0.0066341000000000, -0.0009581800000000 ] - [ 0.0084573600000000, -0.0033282800000000, -0.0019430100000000 ] - [ 0.0004542000000000, 0.0020908800000000, 0.0004341000000000 ] - [ 0.0002958800000000, 0.0006338700000000, 0.0000377800000000 ] - [ 0.0006044200000000, 0.0002231000000000, -0.0002075600000000 ] - [ 0.0002166300000000, 0.0006430900000000, -0.0004611100000000 ] - [ 0.0002627900000000, 0.0002717400000000, -0.0006073000000000 ] - [ 0.0002922900000000, -0.0006526700000000, -0.0001073300000000 ] - [ 0.0006151600000000, -0.0003309100000000, -0.0002011100000000 ] - [ 0.0001381700000000, -0.0006119700000000, -0.0003754900000000 ] - [ 0.0003376200000000, -0.0001544700000000, -0.0006030900000000 ] - [ -0.0015608700000000, -0.0015855800000000, 0.0001707000000000 ] - [ 0.0009499100000000, 0.0011595500000000, 0.0013573500000000 ] - [ -0.0011958100000000, -0.0006406700000000, -0.0009919100000000 ] - [ -0.0001078600000000, 0.0003282300000000, -0.0007172200000000 ] - [ -0.0001546300000000, 0.0010543800000000, -0.0003210300000000 ] - [ 0.0008162600000000, -0.0009540100000000, 0.0000987200000000 ] - [ -0.0022016300000000, 0.0013754000000000, -0.0006401400000000 ] - [ -0.0000192800000000, -0.0006970200000000, 0.0005473200000000 ] - [ -0.0000436800000000, 0.0004436700000000, 0.0008262800000000 ] - [ -0.0006733000000000, -0.0001243600000000, -0.0000554000000000 ] - [ 0.0004312000000000, 0.0002350100000000, -0.0001614400000000 ] - [ 0.0004552400000000, -0.0004644900000000, -0.0004280200000000 ] - [ 0.0004660800000000, -0.0004914400000000, 0.0008140100000000 ] - [ 0.0003728400000000, 0.0005729400000000, -0.0000443600000000 ] - [ -0.0001011800000000, -0.0001667100000000, -0.0004088700000000 ] - [ -0.0003164300000000, 0.0001458800000000, -0.0006031300000000 ] - [ -0.0007507200000000, -0.0029117500000000, 0.0030622200000000 ] - [ 0.0057675900000000, 0.0048635900000000, -0.0026235100000000 ] - [ -0.0046243200000000, -0.0016171800000000, -0.0053657700000000 ] - [ -0.0001854400000000, 0.0003618800000000, 0.0005642900000000 ] - [ -0.0060202400000000, 0.0062521700000000, 0.0024640400000000 ] - [ 0.0071537200000000, -0.0009002600000000, 0.0075165400000000 ] - [ -0.0000489500000000, 0.0005990400000000, -0.0014930800000000 ] - [ 0.0008650100000000, -0.0005473800000000, -0.0018320500000000 ] - [ -0.0006729200000000, 0.0025302900000000, -0.0032750700000000 ] - [ 0.0020127100000000, 0.0004265100000000, -0.0008768000000000 ] - [ -0.0010613900000000, -0.0013342700000000, 0.0021887400000000 ] - [ -0.0000301100000000, -0.0002315900000000, 0.0003632900000000 ] - [ 0.0103011300000000, 0.1669650200000000, -0.1386382400000000 ] - [ -0.0005435200000000, -0.0056282000000000, 0.0021747000000000 ] - [ -0.0005454900000000, -0.0015792400000000, 0.0048680000000000 ] - [ -0.0007925600000000, -0.0047559500000000, 0.0053090100000000 ] - [ -0.0125878000000000, -0.0224512800000000, -0.0071336100000000 ] - [ 0.0145389700000000, -0.0222290600000000, -0.0127236200000000 ] - [ 0.0010182800000000, 0.0017181800000000, 0.0030310900000000 ] - [ 0.0001603700000000, 0.0013486000000000, 0.0028376800000000 ] - [ -0.0015345000000000, -0.0009010600000000, -0.0010702500000000 ] - [ 0.0005368300000000, -0.0009172200000000, -0.0019351200000000 ] - [ 0.0000957000000000, 0.0007193200000000, 0.0008500300000000 ] - [ 0.0009713400000000, 0.0007129700000000, 0.0014761200000000 ] - [ 0.0014815500000000, -0.0056646600000000, -0.0045593000000000 ] - [ -0.0220577800000000, -0.0205570900000000, 0.0050723400000000 ] - [ 0.0009942600000000, -0.0006490900000000, 0.0027026700000000 ] - [ 0.0010047900000000, 0.0010759800000000, 0.0009879600000000 ] - [ -0.0024989000000000, -0.0015927600000000, -0.0009225600000000 ] - [ 0.0017130800000000, 0.0009767500000000, -0.0001503400000000 ] - [ -0.0000539200000000, -0.0003890900000000, 0.0004903000000000 ] - [ 0.0005903300000000, 0.0002145800000000, 0.0006020700000000 ] - [ 0.0195708400000000, -0.0139347400000000, 0.0111204700000000 ] - [ -0.0012901000000000, -0.0005268900000000, -0.0019960300000000 ] - [ -0.0017437800000000, 0.0016390400000000, 0.0003942800000000 ] - [ -0.0008724100000000, -0.0007581200000000, 0.0017464000000000 ] - [ -0.0013976500000000, -0.0038027000000000, -0.0027014900000000 ] - [ 0.0125407500000000, 0.0064789200000000, 0.0029419900000000 ] - [ -0.0013120100000000, -0.0015719900000000, 0.0007458000000000 ] - [ -0.0008419800000000, 0.0015470900000000, 0.0019650100000000 ] - [ 0.0009427000000000, 0.0004211900000000, 0.0003863900000000 ] - [ 0.0027161300000000, -0.0014985800000000, 0.0009712900000000 ] - [ -0.0023839900000000, 0.0011904800000000, -0.0003292800000000 ] - [ 0.0000239000000000, -0.0001603900000000, 0.0001273200000000 ] - [ 0.0000048000000000, 0.0020039500000000, -0.0028715000000000 ] - [ 0.0164776900000000, -0.0246882200000000, 0.0154721100000000 ] - [ -0.0111553200000000, -0.0143823000000000, 0.0237200800000000 ] - [ 0.0002098000000000, 0.0002681700000000, -0.0014424700000000 ] - [ -0.0077102500000000, 0.0076301400000000, -0.0015022400000000 ] - [ 0.0006873900000000, -0.0037220300000000, 0.0000415600000000 ] - [ 0.0009908400000000, 0.0003849100000000, 0.0010121300000000 ] - [ 0.0010433600000000, -0.0028721400000000, 0.0024053700000000 ] - [ -0.0002963800000000, -0.0043627600000000, -0.0029411300000000 ] - [ -0.0026515700000000, 0.0152881300000000, 0.0188005900000000 ] - [ -0.0001096500000000, -0.0043652400000000, -0.0021417100000000 ] - [ 0.0008054700000000, 0.0153920600000000, 0.0092784000000000 ] - [ -0.0005014900000000, -0.0005517300000000, -0.0004902800000000 ] - [ 0.0000369100000000, 0.0010535000000000, -0.0008621100000000 ] - [ -0.0000259000000000, -0.0003999100000000, 0.0003346900000000 ] - [ 0.0004882100000000, 0.0006365000000000, -0.0003600300000000 ] - [ -0.0003187800000000, -0.0004775100000000, 0.0005916800000000 ] - [ -0.0003539200000000, -0.0004786000000000, 0.0005996100000000 ] - [ -0.0002962900000000, -0.0006425000000000, 0.0008948600000000 ] - [ -0.0003364600000000, -0.0006431100000000, 0.0009070400000000 ] - [ 0.0006962400000000, 0.0005340100000000, -0.0001269300000000 ] - [ 0.0000961200000000, 0.0000845500000000, -0.0001533600000000 ] - [ 0.0007969300000000, 0.0005772500000000, 0.0001690400000000 ] - [ 0.0004403400000000, 0.0003042000000000, 0.0000792700000000 ] - [ -0.0001561600000000, 0.0003038500000000, -0.0003209000000000 ] - [ 0.0006762200000000, -0.0012224300000000, -0.0010508300000000 ] - [ -0.0000673900000000, 0.0003239500000000, 0.0001654800000000 ] - [ -0.0002486000000000, -0.0004035100000000, -0.0000184900000000 ] - [ -0.0001518700000000, 0.0004842000000000, -0.0003285100000000 ] - [ -0.0005211200000000, 0.0000725300000000, -0.0002452500000000 ] - [ -0.0002778900000000, 0.0001040400000000, 0.0000764600000000 ] - [ -0.0002826300000000, -0.0000667300000000, 0.0001498100000000 ] - [ 0.0019219400000000, 0.0013590700000000, -0.0008276600000000 ] - [ -0.0021428500000000, -0.0015663200000000, -0.0003499200000000 ] - [ 0.0010805800000000, -0.0005953000000000, 0.0014015900000000 ] - [ -0.0000627700000000, -0.0003128900000000, 0.0003049900000000 ] - [ -0.0003768900000000, -0.0002103100000000, -0.0001467700000000 ] - [ -0.0005548600000000, 0.0000211100000000, -0.0001354900000000 ] - [ -0.0001135500000000, -0.0003783800000000, -0.0001534600000000 ] - [ -0.0001536800000000, -0.0000798300000000, 0.0000587800000000 ] - [ -0.0000253400000000, -0.0001023000000000, -0.0002831300000000 ] - [ -0.0003694800000000, -0.0001005500000000, -0.0001210300000000 ] - [ 0.0001757600000000, 0.0002921900000000, 0.0002011500000000 ] - [ -0.0002499700000000, -0.0000873100000000, -0.0000609400000000 ] - [ 0.0002646900000000, -0.0000413900000000, 0.0003101300000000 ] - [ -0.0011765600000000, 0.0011630500000000, 0.0006133900000000 ] - [ 0.0027214600000000, -0.0010853800000000, 0.0007840300000000 ] - [ -0.0006711600000000, -0.0003050500000000, -0.0011855900000000 ] - [ 0.0004629600000000, -0.0004267700000000, 0.0000451700000000 ] - [ 0.0002954700000000, -0.0001858400000000, 0.0000024000000000 ] - [ 0.0009871400000000, -0.0006852500000000, 0.0000137200000000 ] - [ 0.0003399000000000, -0.0002488500000000, -0.0000802700000000 ] - [ 0.0001364600000000, -0.0000328900000000, -0.0001899200000000 ] - [ -0.0003362300000000, 0.0002276000000000, -0.0002945400000000 ] - [ -0.0000062200000000, -0.0002851900000000, 0.0002177000000000 ] - [ -0.0002588900000000, 0.0000030000000000, 0.0000908100000000 ] - [ -0.0003122800000000, 0.0005632700000000, 0.0007525600000000 ] - [ -0.0002803800000000, 0.0005542000000000, 0.0007716200000000 ] - [ -0.0003242100000000, 0.0005637100000000, 0.0007331800000000 ] - [ -0.0004032300000000, 0.0005533500000000, 0.0007472300000000 ]- atom: 53 displacement: [ -0.0002521786343742, 0.0000000000000000, 0.0099968197911318 ] forces: - [ -0.0324288100000000, -0.0763681100000000, 0.1058913600000000 ] - [ 0.0018307000000000, 0.0057965400000000, 0.0071772200000000 ] - [ -0.0037733600000000, -0.0123314600000000, -0.0189510900000000 ] - [ 0.0043840800000000, 0.0071749700000000, -0.0126706500000000 ] - [ -0.0023379300000000, 0.0015616500000000, 0.0099833700000000 ] - [ -0.0082545700000000, -0.0068370700000000, 0.0260848600000000 ] - [ -0.0031445500000000, 0.0119310700000000, -0.0117207200000000 ] - [ 0.0040954300000000, -0.0109849400000000, -0.0203056400000000 ] - [ 0.0068122400000000, 0.0039092000000000, 0.0049245500000000 ] - [ -0.0019597300000000, -0.0047989600000000, 0.0131500900000000 ] - [ -0.0007583600000000, 0.0017064100000000, -0.0050802800000000 ] - [ -0.0007032500000000, -0.0006318000000000, -0.0059736500000000 ] - [ -0.0070891000000000, -0.0089528900000000, -0.0036605800000000 ] - [ -0.0105412300000000, 0.0060077300000000, -0.0000546900000000 ] - [ 0.0104759100000000, -0.0011197900000000, -0.0032468900000000 ] - [ 0.0020238200000000, 0.0009703600000000, -0.0001066900000000 ] - [ 0.0002673700000000, 0.0005018200000000, 0.0000893800000000 ] - [ 0.0004259700000000, 0.0003278900000000, 0.0000186000000000 ] - [ 0.0002412200000000, 0.0006150100000000, -0.0006320900000000 ] - [ 0.0002487000000000, 0.0003279400000000, -0.0007259700000000 ] - [ 0.0004918500000000, -0.0005820900000000, 0.0000199000000000 ] - [ 0.0005293400000000, -0.0004906100000000, 0.0000198300000000 ] - [ -0.0000054900000000, -0.0004402700000000, -0.0006075500000000 ] - [ 0.0001478800000000, -0.0002450400000000, -0.0007519900000000 ] - [ -0.0011518200000000, -0.0009564400000000, 0.0013366300000000 ] - [ -0.0003281200000000, 0.0001956000000000, 0.0015049600000000 ] - [ -0.0011635200000000, -0.0004960000000000, -0.0018184900000000 ] - [ -0.0001308300000000, 0.0000509300000000, -0.0013806300000000 ] - [ 0.0013436700000000, -0.0001525900000000, 0.0003877200000000 ] - [ 0.0011381800000000, -0.0004026900000000, 0.0002727000000000 ] - [ -0.0024778000000000, 0.0012079800000000, -0.0007782400000000 ] - [ -0.0011902200000000, -0.0002477900000000, -0.0001263500000000 ] - [ -0.0002855700000000, 0.0003413700000000, 0.0007350800000000 ] - [ -0.0009285100000000, 0.0002106000000000, 0.0003760200000000 ] - [ 0.0005298300000000, 0.0001900300000000, -0.0002811900000000 ] - [ 0.0006685400000000, -0.0005544400000000, -0.0006322500000000 ] - [ 0.0007386500000000, -0.0002838400000000, 0.0009911000000000 ] - [ 0.0003943100000000, 0.0003668900000000, 0.0002457600000000 ] - [ -0.0003852600000000, -0.0000774400000000, -0.0008241900000000 ] - [ -0.0003835200000000, 0.0001046700000000, -0.0007030600000000 ] - [ 0.0047339700000000, -0.0051155600000000, 0.0012396400000000 ] - [ 0.0053248300000000, 0.0036057800000000, -0.0016301800000000 ] - [ -0.0056339300000000, -0.0006684900000000, -0.0063374800000000 ] - [ -0.0009481600000000, -0.0003867300000000, -0.0001419900000000 ] - [ -0.0054444700000000, 0.0059050500000000, 0.0052177100000000 ] - [ 0.0034502300000000, -0.0023577900000000, 0.0075984000000000 ] - [ 0.0002139100000000, 0.0000846200000000, -0.0025466700000000 ] - [ 0.0009586200000000, 0.0002197800000000, -0.0029936100000000 ] - [ -0.0000092600000000, 0.0031587800000000, -0.0037926700000000 ] - [ 0.0014115000000000, 0.0008303800000000, -0.0026860900000000 ] - [ -0.0012581100000000, -0.0023161100000000, 0.0032733000000000 ] - [ -0.0002221500000000, -0.0004572100000000, 0.0009147400000000 ] - [ 0.0284556600000000, 0.1400952100000000, -0.2167055000000000 ] - [ 0.0001371400000000, -0.0019928900000000, -0.0008036400000000 ] - [ -0.0008235600000000, -0.0047069300000000, 0.0109866800000000 ] - [ -0.0008832400000000, -0.0051353400000000, 0.0062358900000000 ] - [ -0.0067487400000000, -0.0131866000000000, -0.0142699700000000 ] - [ 0.0031077400000000, -0.0040868200000000, -0.0101929200000000 ] - [ 0.0013954000000000, 0.0027790200000000, 0.0047545300000000 ] - [ -0.0003498900000000, 0.0019610000000000, 0.0048461900000000 ] - [ -0.0014337600000000, -0.0018542800000000, -0.0020344900000000 ] - [ 0.0000277700000000, -0.0009452200000000, -0.0019976600000000 ] - [ 0.0004798900000000, 0.0015547800000000, 0.0019799900000000 ] - [ 0.0011639200000000, 0.0009404900000000, 0.0019919800000000 ] - [ -0.0008681900000000, 0.0025154100000000, -0.0026501100000000 ] - [ -0.0193670500000000, -0.0162669900000000, -0.0021453800000000 ] - [ 0.0010689200000000, -0.0008581400000000, 0.0032801900000000 ] - [ 0.0028275800000000, 0.0016760200000000, 0.0022232000000000 ] - [ -0.0015519100000000, -0.0008922500000000, -0.0008957600000000 ] - [ 0.0005490900000000, 0.0004804200000000, -0.0010402400000000 ] - [ 0.0001434900000000, -0.0003059700000000, 0.0006821200000000 ] - [ 0.0005983000000000, 0.0001274200000000, 0.0008821600000000 ] - [ 0.0246091200000000, -0.0157763100000000, 0.0081953800000000 ] - [ -0.0003142200000000, -0.0001874700000000, -0.0017674700000000 ] - [ -0.0017724300000000, 0.0024424400000000, 0.0018543400000000 ] - [ -0.0012682200000000, -0.0006408300000000, 0.0017150000000000 ] - [ -0.0005204000000000, -0.0026437600000000, -0.0027569100000000 ] - [ 0.0215803100000000, 0.0022959300000000, 0.0030324200000000 ] - [ -0.0014224400000000, -0.0011639000000000, 0.0012802400000000 ] - [ -0.0019560700000000, 0.0014830600000000, 0.0028974700000000 ] - [ 0.0025051100000000, 0.0000353000000000, 0.0008202500000000 ] - [ 0.0028124000000000, -0.0013749300000000, 0.0010426300000000 ] - [ -0.0030605500000000, 0.0012898900000000, -0.0002909100000000 ] - [ -0.0005037900000000, 0.0001163800000000, 0.0000283500000000 ] - [ 0.0012418200000000, 0.0032460000000000, -0.0007330600000000 ] - [ 0.0174806200000000, -0.0253447800000000, 0.0184283400000000 ] - [ -0.0122776800000000, -0.0134763300000000, 0.0271092400000000 ] - [ -0.0011441700000000, 0.0019842300000000, -0.0014127900000000 ] - [ -0.0147007900000000, 0.0063471500000000, 0.0003649200000000 ] - [ -0.0003663100000000, -0.0013094500000000, -0.0003543600000000 ] - [ 0.0018288000000000, -0.0003121900000000, 0.0021464700000000 ] - [ 0.0013503200000000, -0.0030645600000000, 0.0027597400000000 ] - [ -0.0005396200000000, -0.0023274300000000, -0.0010761600000000 ] - [ -0.0012410000000000, 0.0091285800000000, 0.0341373400000000 ] - [ -0.0001872900000000, -0.0031556000000000, -0.0011009600000000 ] - [ -0.0017476800000000, 0.0188246300000000, 0.0346212500000000 ] - [ -0.0001483000000000, 0.0003811100000000, -0.0012967200000000 ] - [ -0.0001679500000000, 0.0007693900000000, -0.0013665200000000 ] - [ 0.0000131700000000, -0.0004332700000000, 0.0005682100000000 ] - [ 0.0004706100000000, 0.0002771100000000, 0.0001302700000000 ] - [ -0.0003438800000000, -0.0004086200000000, 0.0004769700000000 ] - [ -0.0003052700000000, -0.0004018300000000, 0.0004792200000000 ] - [ -0.0002768400000000, -0.0007179700000000, 0.0010219800000000 ] - [ -0.0003222200000000, -0.0007038100000000, 0.0010199700000000 ] - [ 0.0004938300000000, 0.0003889100000000, -0.0002900200000000 ] - [ 0.0003247200000000, 0.0002405900000000, -0.0002665000000000 ] - [ 0.0008073300000000, 0.0005679700000000, 0.0002658000000000 ] - [ 0.0004942400000000, 0.0003812200000000, 0.0002026200000000 ] - [ 0.0004018900000000, -0.0002176700000000, -0.0006401300000000 ] - [ 0.0006902900000000, -0.0009763500000000, -0.0009203900000000 ] - [ -0.0004632700000000, 0.0002631700000000, 0.0005565600000000 ] - [ -0.0004094900000000, 0.0000857900000000, 0.0003912800000000 ] - [ -0.0002572800000000, 0.0004865700000000, -0.0004478000000000 ] - [ -0.0003995000000000, 0.0002017000000000, -0.0003179600000000 ] - [ -0.0001990300000000, -0.0000090900000000, 0.0002552600000000 ] - [ -0.0002243900000000, -0.0000827300000000, 0.0002382800000000 ] - [ 0.0012125600000000, 0.0014499000000000, -0.0020563400000000 ] - [ -0.0004326200000000, 0.0007268000000000, -0.0014418200000000 ] - [ 0.0012869800000000, -0.0008460500000000, 0.0019143000000000 ] - [ 0.0000565600000000, -0.0005649100000000, 0.0008018800000000 ] - [ -0.0003866900000000, -0.0001967600000000, -0.0001596800000000 ] - [ -0.0005911200000000, 0.0000340100000000, -0.0001582300000000 ] - [ -0.0000793800000000, -0.0003440800000000, -0.0000995200000000 ] - [ -0.0000670800000000, -0.0002030900000000, 0.0000149900000000 ] - [ -0.0001997400000000, -0.0003370600000000, -0.0005366300000000 ] - [ -0.0002616600000000, -0.0002163200000000, -0.0003475600000000 ] - [ 0.0001992800000000, 0.0003318200000000, 0.0003178300000000 ] - [ -0.0000505900000000, 0.0001796900000000, 0.0002235800000000 ] - [ -0.0020116100000000, 0.0025680000000000, 0.0010962600000000 ] - [ -0.0011865000000000, 0.0010187100000000, 0.0006273300000000 ] - [ 0.0029922600000000, -0.0015239500000000, 0.0004507100000000 ] - [ 0.0005435500000000, -0.0000558800000000, -0.0000206200000000 ] - [ 0.0002040400000000, -0.0002095000000000, 0.0000514900000000 ] - [ 0.0002558800000000, -0.0002039100000000, 0.0000047200000000 ] - [ 0.0010507100000000, -0.0006838700000000, 0.0000044800000000 ] - [ 0.0006922600000000, -0.0004218600000000, -0.0000091500000000 ] - [ 0.0000881700000000, 0.0001024900000000, -0.0003665600000000 ] - [ -0.0000793700000000, 0.0001006100000000, -0.0002837200000000 ] - [ -0.0001020000000000, -0.0003499100000000, 0.0003848600000000 ] - [ -0.0002826700000000, -0.0000514700000000, 0.0001667400000000 ] - [ -0.0003019300000000, 0.0005423100000000, 0.0007417900000000 ] - [ -0.0002765200000000, 0.0005599400000000, 0.0007616700000000 ] - [ -0.0003375200000000, 0.0005617100000000, 0.0007400900000000 ] - [ -0.0003713800000000, 0.0005791200000000, 0.0007573300000000 ]- atom: 53 displacement: [ 0.0002521786343742, 0.0000000000000000, -0.0099968197911318 ] forces: - [ 0.0308477700000000, 0.0721880600000000, -0.1011110400000000 ] - [ -0.0010647800000000, -0.0048264500000000, -0.0077274300000000 ] - [ 0.0045564600000000, 0.0134016600000000, 0.0184447800000000 ] - [ -0.0036679400000000, -0.0063465400000000, 0.0120690300000000 ] - [ 0.0030375100000000, -0.0024965700000000, -0.0106668400000000 ] - [ 0.0083773000000000, 0.0081288900000000, -0.0281501500000000 ] - [ 0.0038731000000000, -0.0127662700000000, 0.0111061200000000 ] - [ -0.0033312900000000, 0.0100276000000000, 0.0196761300000000 ] - [ -0.0075944000000000, -0.0041559400000000, -0.0049995900000000 ] - [ 0.0011043200000000, 0.0045741800000000, -0.0132147600000000 ] - [ 0.0000265500000000, -0.0019480600000000, 0.0050172400000000 ] - [ -0.0000263700000000, 0.0003859500000000, 0.0059151200000000 ] - [ 0.0063187000000000, 0.0091777600000000, 0.0035397100000000 ] - [ 0.0098284000000000, -0.0057846300000000, -0.0000391300000000 ] - [ -0.0112090500000000, 0.0013462500000000, 0.0032211700000000 ] - [ -0.0027749500000000, -0.0007304200000000, 0.0000670700000000 ] - [ 0.0004752000000000, 0.0003780500000000, -0.0007123800000000 ] - [ 0.0003208200000000, 0.0005519000000000, -0.0006439300000000 ] - [ 0.0005008900000000, 0.0002647700000000, 0.0000055400000000 ] - [ 0.0004931400000000, 0.0005503700000000, 0.0001013000000000 ] - [ 0.0002511500000000, -0.0002972700000000, -0.0006482100000000 ] - [ 0.0002131400000000, -0.0003901500000000, -0.0006470600000000 ] - [ 0.0007472500000000, -0.0004430100000000, -0.0000141800000000 ] - [ 0.0005985800000000, -0.0006326400000000, 0.0001295200000000 ] - [ 0.0003975400000000, 0.0007020200000000, -0.0014050700000000 ] - [ -0.0004106200000000, -0.0004211900000000, -0.0015682400000000 ] - [ 0.0003946700000000, 0.0002483800000000, 0.0017498000000000 ] - [ -0.0006357100000000, -0.0002906200000000, 0.0013160000000000 ] - [ -0.0021004600000000, 0.0003905000000000, -0.0004627200000000 ] - [ -0.0019019600000000, 0.0006516700000000, -0.0003537800000000 ] - [ 0.0017096100000000, -0.0009593900000000, 0.0007162100000000 ] - [ 0.0004544100000000, 0.0004805700000000, 0.0000807300000000 ] - [ 0.0004775200000000, -0.0003422300000000, -0.0007337100000000 ] - [ 0.0011179500000000, -0.0002131000000000, -0.0003746700000000 ] - [ -0.0003370200000000, -0.0001944300000000, 0.0002886400000000 ] - [ -0.0004736100000000, 0.0005542500000000, 0.0006392700000000 ] - [ -0.0005496600000000, 0.0002868600000000, -0.0009853800000000 ] - [ -0.0002039300000000, -0.0003656900000000, -0.0002405300000000 ] - [ 0.0005808000000000, 0.0000796700000000, 0.0008262500000000 ] - [ 0.0005795900000000, -0.0001027400000000, 0.0007068400000000 ] - [ -0.0045292000000000, 0.0051002100000000, -0.0012862500000000 ] - [ -0.0051735900000000, -0.0036200300000000, 0.0016319700000000 ] - [ 0.0057980200000000, 0.0006577200000000, 0.0063295000000000 ] - [ 0.0011269000000000, 0.0003848900000000, 0.0001654200000000 ] - [ 0.0056195100000000, -0.0058869500000000, -0.0051786300000000 ] - [ -0.0031699000000000, 0.0024768100000000, -0.0075915100000000 ] - [ -0.0000387900000000, -0.0000789000000000, 0.0025440900000000 ] - [ -0.0007995100000000, -0.0002208600000000, 0.0029985400000000 ] - [ 0.0001686600000000, -0.0026405500000000, 0.0030918300000000 ] - [ -0.0012549400000000, -0.0003261600000000, 0.0020024000000000 ] - [ 0.0014098000000000, 0.0028402300000000, -0.0039885500000000 ] - [ 0.0003741100000000, 0.0009819000000000, -0.0016312600000000 ] - [ -0.0264174800000000, -0.1385526700000000, 0.2144265900000000 ] - [ -0.0008114400000000, 0.0008730500000000, 0.0023084300000000 ] - [ 0.0001649200000000, 0.0035982400000000, -0.0095346100000000 ] - [ 0.0002181500000000, 0.0040226900000000, -0.0047443000000000 ] - [ 0.0077728900000000, 0.0139878100000000, 0.0140964900000000 ] - [ -0.0020482900000000, 0.0046553000000000, 0.0101685000000000 ] - [ -0.0004214100000000, -0.0020634500000000, -0.0047860900000000 ] - [ 0.0013343000000000, -0.0012119500000000, -0.0048590600000000 ] - [ 0.0015920900000000, 0.0013303700000000, 0.0013164500000000 ] - [ 0.0001301200000000, 0.0004190100000000, 0.0012799400000000 ] - [ -0.0003275200000000, -0.0020667900000000, -0.0026751000000000 ] - [ -0.0010186400000000, -0.0014582700000000, -0.0026975400000000 ] - [ 0.0002289400000000, -0.0021513900000000, 0.0024873600000000 ] - [ 0.0189250700000000, 0.0166955700000000, 0.0020599900000000 ] - [ -0.0016980100000000, 0.0011693000000000, -0.0034710000000000 ] - [ -0.0034292900000000, -0.0013479200000000, -0.0024140600000000 ] - [ 0.0018000800000000, 0.0007906100000000, 0.0011091600000000 ] - [ -0.0002906800000000, -0.0005781500000000, 0.0012596400000000 ] - [ 0.0000870100000000, 0.0001967200000000, -0.0004724300000000 ] - [ -0.0003630700000000, -0.0002341600000000, -0.0006708400000000 ] - [ -0.0250221100000000, 0.0153431300000000, -0.0083724000000000 ] - [ -0.0003199600000000, -0.0001419400000000, 0.0015621000000000 ] - [ 0.0011846600000000, -0.0027707900000000, -0.0020297700000000 ] - [ 0.0006548300000000, 0.0003271400000000, -0.0019039800000000 ] - [ 0.0002610100000000, 0.0026634400000000, 0.0026542100000000 ] - [ -0.0218894000000000, -0.0022987000000000, -0.0030459700000000 ] - [ 0.0011499300000000, 0.0011691700000000, -0.0013992200000000 ] - [ 0.0016743200000000, -0.0014741900000000, -0.0030176600000000 ] - [ -0.0022595100000000, 0.0000693600000000, -0.0006032800000000 ] - [ -0.0025814600000000, 0.0014841400000000, -0.0008320900000000 ] - [ 0.0032986400000000, -0.0011819200000000, 0.0004988200000000 ] - [ 0.0007479600000000, -0.0000146200000000, 0.0001810600000000 ] - [ -0.0002558600000000, -0.0040067800000000, 0.0007478400000000 ] - [ -0.0165809300000000, 0.0247851900000000, -0.0186399000000000 ] - [ 0.0131900100000000, 0.0126669700000000, -0.0268975000000000 ] - [ 0.0021277100000000, -0.0027024800000000, 0.0013636200000000 ] - [ 0.0144097900000000, -0.0063361400000000, -0.0005312800000000 ] - [ 0.0001157500000000, 0.0012881200000000, 0.0002290700000000 ] - [ -0.0021212900000000, 0.0002963600000000, -0.0022487400000000 ] - [ -0.0016273500000000, 0.0030666200000000, -0.0028778400000000 ] - [ -0.0001279200000000, 0.0034738300000000, 0.0026026100000000 ] - [ 0.0005753800000000, -0.0080895100000000, -0.0332731400000000 ] - [ -0.0004762100000000, 0.0042346300000000, 0.0025596900000000 ] - [ 0.0010704900000000, -0.0175725300000000, -0.0327619600000000 ] - [ 0.0003039100000000, 0.0001281100000000, 0.0005983000000000 ] - [ 0.0003179800000000, -0.0002534000000000, 0.0006665800000000 ] - [ 0.0001447200000000, 0.0009501000000000, -0.0012753200000000 ] - [ -0.0003084800000000, 0.0002498500000000, -0.0008481100000000 ] - [ -0.0003230100000000, -0.0007089600000000, 0.0010207000000000 ] - [ -0.0003622800000000, -0.0007171500000000, 0.0010210400000000 ] - [ -0.0003904700000000, -0.0003988700000000, 0.0004756100000000 ] - [ -0.0003442000000000, -0.0004135000000000, 0.0004763200000000 ] - [ 0.0005001000000000, 0.0003546700000000, 0.0002771300000000 ] - [ 0.0006680400000000, 0.0005004600000000, 0.0002533700000000 ] - [ 0.0001910100000000, 0.0001754600000000, -0.0002805000000000 ] - [ 0.0005028000000000, 0.0003618100000000, -0.0002177300000000 ] - [ -0.0002536500000000, -0.0002962800000000, -0.0000711500000000 ] - [ -0.0005321800000000, 0.0004503200000000, 0.0002078600000000 ] - [ 0.0006226600000000, -0.0007820800000000, -0.0012602600000000 ] - [ 0.0005687600000000, -0.0006006600000000, -0.0010940500000000 ] - [ -0.0003787400000000, -0.0001760700000000, 0.0002559200000000 ] - [ -0.0002367100000000, 0.0001087700000000, 0.0001261200000000 ] - [ -0.0004414500000000, 0.0003179400000000, -0.0004486400000000 ] - [ -0.0004166100000000, 0.0003911100000000, -0.0004320700000000 ] - [ -0.0009576200000000, -0.0015461200000000, 0.0022654200000000 ] - [ 0.0006487100000000, -0.0008791900000000, 0.0016842000000000 ] - [ -0.0010304600000000, 0.0007442700000000, -0.0016979500000000 ] - [ 0.0001907500000000, 0.0004660200000000, -0.0005954800000000 ] - [ -0.0002513200000000, -0.0001143200000000, -0.0000347500000000 ] - [ -0.0000486500000000, -0.0003443500000000, -0.0000361600000000 ] - [ -0.0005610900000000, 0.0000369200000000, -0.0000927400000000 ] - [ -0.0005746800000000, -0.0001047600000000, -0.0002077300000000 ] - [ -0.0000649700000000, 0.0003496000000000, 0.0004271100000000 ] - [ -0.0000037400000000, 0.0002301900000000, 0.0002387000000000 ] - [ -0.0004610500000000, -0.0003190200000000, -0.0004295800000000 ] - [ -0.0002171500000000, -0.0001727800000000, -0.0003418900000000 ] - [ 0.0022562400000000, -0.0024505400000000, -0.0008719800000000 ] - [ 0.0014403700000000, -0.0009173000000000, -0.0004091100000000 ] - [ -0.0027291900000000, 0.0016175500000000, -0.0002362300000000 ] - [ -0.0003358200000000, 0.0001506300000000, 0.0001926600000000 ] - [ 0.0007900500000000, -0.0005313300000000, -0.0000647800000000 ] - [ 0.0007404000000000, -0.0005404700000000, -0.0000173700000000 ] - [ -0.0000541700000000, -0.0000588100000000, -0.0000204800000000 ] - [ 0.0002981600000000, -0.0003188600000000, -0.0000076900000000 ] - [ -0.0003521900000000, -0.0001134700000000, 0.0002528100000000 ] - [ -0.0001895400000000, -0.0001093900000000, 0.0001700400000000 ] - [ -0.0001606200000000, 0.0003342700000000, -0.0004924000000000 ] - [ 0.0000195600000000, 0.0000374900000000, -0.0002765500000000 ] - [ -0.0003648900000000, 0.0005766400000000, 0.0007578300000000 ] - [ -0.0003910800000000, 0.0005592500000000, 0.0007384300000000 ] - [ -0.0003303800000000, 0.0005565000000000, 0.0007583300000000 ] - [ -0.0002957800000000, 0.0005370200000000, 0.0007392200000000 ]- atom: 57 displacement: [ 0.0099999998410115, 0.0000000000000000, -0.0000017831910382 ] forces: - [ 0.0299424700000000, 0.0143286300000000, 0.0083401500000000 ] - [ 0.0106697100000000, 0.0012896400000000, -0.0046899900000000 ] - [ 0.0046860200000000, 0.0005816300000000, 0.0010462300000000 ] - [ 0.0057716000000000, 0.0037293400000000, 0.0031053900000000 ] - [ 0.0283395500000000, 0.0063306500000000, -0.0032547100000000 ] - [ 0.0074206800000000, -0.0058817300000000, 0.0056013300000000 ] - [ 0.0049031600000000, 0.0003653700000000, -0.0010339400000000 ] - [ 0.0062785100000000, -0.0048984200000000, -0.0063384100000000 ] - [ 0.0036892500000000, -0.0032525800000000, -0.0137159200000000 ] - [ 0.0040184700000000, 0.0005078300000000, 0.0005093700000000 ] - [ 0.0035849400000000, -0.0016137000000000, -0.0000007200000000 ] - [ 0.0035813900000000, 0.0002727300000000, -0.0001367500000000 ] - [ 0.0083243600000000, 0.0089364900000000, -0.0116811800000000 ] - [ 0.0031811900000000, -0.0049643600000000, -0.0042165600000000 ] - [ 0.0066173600000000, 0.0080325400000000, 0.0086597700000000 ] - [ 0.0025438300000000, -0.0033250700000000, 0.0057522400000000 ] - [ -0.0035342900000000, 0.0009534900000000, -0.0003336200000000 ] - [ -0.0029565100000000, 0.0001072200000000, -0.0002786800000000 ] - [ -0.0034761800000000, 0.0007546600000000, -0.0014503700000000 ] - [ -0.0022613100000000, 0.0001060800000000, -0.0009272400000000 ] - [ -0.0030733000000000, 0.0000411500000000, -0.0005458700000000 ] - [ -0.0040734300000000, -0.0013653700000000, -0.0012011300000000 ] - [ -0.0025317400000000, -0.0002084300000000, -0.0004596000000000 ] - [ -0.0023987700000000, -0.0004677500000000, -0.0004499100000000 ] - [ -0.0043654400000000, -0.0006540900000000, -0.0005230600000000 ] - [ -0.0039126300000000, 0.0001914400000000, -0.0001953300000000 ] - [ -0.0037937400000000, -0.0001345700000000, -0.0007054100000000 ] - [ -0.0031277400000000, -0.0000386000000000, -0.0003208500000000 ] - [ -0.0041148400000000, 0.0005361900000000, -0.0001503000000000 ] - [ -0.0036137800000000, -0.0002183000000000, -0.0002888400000000 ] - [ -0.0040380500000000, 0.0006000200000000, -0.0008521400000000 ] - [ -0.0033294200000000, -0.0003077100000000, -0.0003302800000000 ] - [ -0.0039463300000000, -0.0006752100000000, -0.0050424600000000 ] - [ -0.0009480400000000, 0.0004357400000000, -0.0001395000000000 ] - [ -0.0010646900000000, -0.0004154200000000, 0.0009688300000000 ] - [ -0.0005581200000000, -0.0001577600000000, 0.0005040700000000 ] - [ -0.0019395600000000, 0.0017482600000000, -0.0000058900000000 ] - [ -0.0041089900000000, -0.0038842500000000, 0.0033462200000000 ] - [ -0.0007410600000000, 0.0005854200000000, -0.0008899600000000 ] - [ -0.0002958100000000, -0.0002939700000000, -0.0006757800000000 ] - [ -0.0031733200000000, -0.0024880300000000, 0.0020019900000000 ] - [ -0.0013511700000000, 0.0009379700000000, 0.0001198000000000 ] - [ -0.0026387400000000, 0.0007805900000000, -0.0034241800000000 ] - [ -0.0006963100000000, -0.0001075800000000, -0.0002239200000000 ] - [ -0.0059906800000000, 0.0026332200000000, -0.0014959800000000 ] - [ -0.0017277400000000, -0.0012214000000000, -0.0004211400000000 ] - [ -0.0005893900000000, 0.0000319200000000, 0.0003103200000000 ] - [ -0.0007292100000000, -0.0003699200000000, -0.0001476000000000 ] - [ 0.0151873400000000, -0.0122588900000000, 0.0215577900000000 ] - [ -0.0006986600000000, 0.0015145300000000, -0.0007584100000000 ] - [ -0.0006696800000000, 0.0009713500000000, -0.0021801800000000 ] - [ -0.0004529600000000, 0.0014307600000000, -0.0016482100000000 ] - [ 0.0014547100000000, 0.0124465300000000, -0.0064520600000000 ] - [ 0.0002560100000000, -0.0147377800000000, 0.0033347000000000 ] - [ -0.0010921000000000, -0.0010893900000000, 0.0016401000000000 ] - [ -0.0009826800000000, -0.0002184300000000, -0.0001120500000000 ] - [ -0.1299556000000000, -0.0388119300000000, -0.0031020000000000 ] - [ -0.0031134800000000, 0.0001542200000000, 0.0002786000000000 ] - [ -0.0018577900000000, -0.0004831000000000, -0.0002285500000000 ] - [ -0.0028747600000000, -0.0006140300000000, 0.0007599500000000 ] - [ 0.0089200400000000, -0.0078198600000000, -0.0145427200000000 ] - [ -0.0003666100000000, 0.0005547700000000, -0.0006092900000000 ] - [ -0.0010796600000000, 0.0008646600000000, 0.0015834700000000 ] - [ -0.0007327200000000, 0.0009233300000000, 0.0011162600000000 ] - [ 0.0104547400000000, -0.0012020900000000, -0.0080101600000000 ] - [ -0.0003971900000000, 0.0003932400000000, -0.0007550000000000 ] - [ -0.0015032000000000, -0.0006896600000000, 0.0003216500000000 ] - [ 0.0000763700000000, 0.0007942500000000, 0.0003188000000000 ] - [ 0.0289784600000000, 0.0132231700000000, 0.0099682900000000 ] - [ -0.0006936000000000, -0.0008633500000000, -0.0001233000000000 ] - [ -0.0005603200000000, -0.0000841600000000, -0.0001435500000000 ] - [ -0.0009274400000000, -0.0005750200000000, 0.0000247200000000 ] - [ 0.0118662800000000, 0.0025866600000000, 0.0065448000000000 ] - [ -0.0012379900000000, 0.0004727700000000, -0.0000553200000000 ] - [ -0.0013901400000000, 0.0003431800000000, -0.0011818200000000 ] - [ -0.0005619600000000, -0.0005547700000000, -0.0005204600000000 ] - [ -0.0027959500000000, 0.0102533800000000, 0.0120315500000000 ] - [ -0.0042490400000000, -0.0026929900000000, -0.0009075800000000 ] - [ -0.0025714900000000, -0.0009608800000000, -0.0007446600000000 ] - [ -0.0037420800000000, -0.0023504200000000, -0.0009965900000000 ] - [ 0.0016339800000000, -0.0015138100000000, 0.0010550500000000 ] - [ -0.0008117800000000, 0.0012958200000000, 0.0013100500000000 ] - [ 0.0003189300000000, -0.0011832900000000, -0.0005248300000000 ] - [ -0.0008148200000000, 0.0007771400000000, -0.0013737700000000 ] - [ -0.0052638000000000, 0.0027937800000000, -0.0026834800000000 ] - [ -0.0029824800000000, 0.0012219600000000, -0.0000932200000000 ] - [ -0.0052529200000000, -0.0013782800000000, 0.0021396200000000 ] - [ -0.0029817300000000, 0.0018262000000000, -0.0005907300000000 ] - [ -0.0044434600000000, -0.0025093500000000, -0.0020352400000000 ] - [ -0.0044445600000000, 0.0121794700000000, -0.0070478400000000 ] - [ -0.0031377900000000, -0.0000220500000000, 0.0014616000000000 ] - [ -0.0031421400000000, 0.0010986700000000, 0.0003562600000000 ] - [ 0.0016499900000000, -0.0110496300000000, -0.0119085000000000 ] - [ -0.0009891500000000, 0.0002648600000000, -0.0009026700000000 ] - [ -0.0017858500000000, 0.0000838700000000, 0.0014598300000000 ] - [ 0.0014837200000000, 0.0165679100000000, 0.0177917000000000 ] - [ 0.0009600300000000, 0.0001510600000000, -0.0003961200000000 ] - [ 0.0009068200000000, 0.0004971000000000, -0.0004615200000000 ] - [ 0.0006024600000000, -0.0000475600000000, -0.0000100800000000 ] - [ 0.0009401500000000, 0.0003776600000000, -0.0002503700000000 ] - [ 0.0005237700000000, -0.0007564900000000, 0.0007674400000000 ] - [ 0.0006221700000000, -0.0001589000000000, 0.0006030900000000 ] - [ 0.0002391000000000, -0.0008548100000000, 0.0010701700000000 ] - [ 0.0002114300000000, -0.0005004500000000, 0.0007580200000000 ] - [ 0.0022225700000000, 0.0010916100000000, 0.0000019600000000 ] - [ 0.0022212300000000, 0.0009683400000000, -0.0000529700000000 ] - [ 0.0020309800000000, 0.0009580800000000, 0.0001057300000000 ] - [ 0.0020293200000000, 0.0011274300000000, 0.0002770900000000 ] - [ 0.0007460700000000, 0.0000098700000000, -0.0001163200000000 ] - [ 0.0010181800000000, -0.0004621300000000, -0.0002736900000000 ] - [ 0.0007818200000000, -0.0001348500000000, -0.0003075200000000 ] - [ 0.0007677900000000, -0.0003874100000000, -0.0004867000000000 ] - [ 0.0012937800000000, 0.0003127400000000, 0.0003342700000000 ] - [ 0.0038519000000000, 0.0021223200000000, 0.0006906100000000 ] - [ 0.0010449300000000, 0.0005350100000000, 0.0002016900000000 ] - [ 0.0010427500000000, 0.0008547300000000, 0.0000430900000000 ] - [ 0.0028856400000000, 0.0012604900000000, 0.0003962100000000 ] - [ 0.0019202300000000, 0.0005954700000000, 0.0003137600000000 ] - [ 0.0022060000000000, -0.0000369900000000, 0.0012554900000000 ] - [ 0.0014253700000000, 0.0004514400000000, 0.0003352900000000 ] - [ 0.0020728700000000, -0.0013034100000000, -0.0003406500000000 ] - [ 0.0014219000000000, -0.0011184400000000, -0.0002633200000000 ] - [ 0.0021863000000000, 0.0001973700000000, 0.0017610200000000 ] - [ 0.0009987300000000, -0.0006112400000000, 0.0002543800000000 ] - [ 0.0015537200000000, 0.0005880000000000, -0.0000783100000000 ] - [ 0.0017796000000000, 0.0008212500000000, -0.0000280500000000 ] - [ 0.0013944200000000, 0.0006508400000000, 0.0001012000000000 ] - [ 0.0012361700000000, 0.0006266000000000, 0.0000503000000000 ] - [ 0.0023876800000000, -0.0009125000000000, -0.0000915000000000 ] - [ 0.0018759700000000, -0.0007745700000000, 0.0001616600000000 ] - [ 0.0027294000000000, -0.0008195900000000, 0.0009201000000000 ] - [ 0.0014636600000000, -0.0001188000000000, 0.0005241300000000 ] - [ 0.0022474400000000, -0.0012120300000000, 0.0001966500000000 ] - [ 0.0019671200000000, -0.0010217600000000, 0.0001402500000000 ] - [ 0.0022474200000000, -0.0010271500000000, -0.0000365100000000 ] - [ 0.0019679800000000, -0.0008576600000000, -0.0000327900000000 ] - [ 0.0015923900000000, -0.0007581300000000, 0.0000239700000000 ] - [ 0.0013871500000000, -0.0006320100000000, -0.0000194800000000 ] - [ 0.0017894200000000, -0.0008154200000000, 0.0001552500000000 ] - [ 0.0012223000000000, -0.0004520400000000, -0.0000278800000000 ] - [ 0.0007510700000000, 0.0004025700000000, 0.0009728300000000 ] - [ 0.0001517600000000, 0.0010460700000000, 0.0013112100000000 ] - [ 0.0004079800000000, 0.0003570500000000, 0.0005273500000000 ] - [ 0.0004979200000000, 0.0005239300000000, 0.0004784800000000 ]- atom: 57 displacement: [ -0.0099999998410115, 0.0000000000000000, 0.0000017831910382 ] forces: - [ -0.0292508000000000, -0.0124391100000000, -0.0080903600000000 ] - [ -0.0100055200000000, -0.0004383200000000, 0.0040919900000000 ] - [ -0.0039511700000000, 0.0003276800000000, -0.0017031600000000 ] - [ -0.0050614400000000, -0.0028783200000000, -0.0037481900000000 ] - [ -0.0276154100000000, -0.0076851100000000, 0.0018400400000000 ] - [ -0.0067108900000000, 0.0050519500000000, -0.0062620700000000 ] - [ -0.0041636300000000, -0.0012935600000000, 0.0004562800000000 ] - [ -0.0055710400000000, 0.0040421500000000, 0.0057392900000000 ] - [ -0.0066017100000000, 0.0015970700000000, 0.0139863600000000 ] - [ -0.0048502400000000, -0.0006887200000000, -0.0006107800000000 ] - [ -0.0043898900000000, 0.0013879000000000, -0.0000668700000000 ] - [ -0.0043779000000000, -0.0005210600000000, 0.0000660500000000 ] - [ -0.0092376900000000, -0.0087826200000000, 0.0117012500000000 ] - [ -0.0039930400000000, 0.0052155500000000, 0.0041492400000000 ] - [ -0.0075194900000000, -0.0078964400000000, -0.0087799600000000 ] - [ -0.0033293900000000, 0.0036033600000000, -0.0058694500000000 ] - [ 0.0043019600000000, -0.0000798000000000, -0.0002924500000000 ] - [ 0.0037179600000000, 0.0007758800000000, -0.0003486900000000 ] - [ 0.0042449700000000, 0.0001240500000000, 0.0008371300000000 ] - [ 0.0030179400000000, 0.0007760900000000, 0.0003077200000000 ] - [ 0.0038360600000000, -0.0009272200000000, -0.0000795200000000 ] - [ 0.0048459700000000, 0.0004949000000000, 0.0005836100000000 ] - [ 0.0032885000000000, -0.0006755600000000, -0.0001649100000000 ] - [ 0.0031574100000000, -0.0004113800000000, -0.0001751000000000 ] - [ 0.0036303600000000, 0.0004108200000000, 0.0004572600000000 ] - [ 0.0031826600000000, -0.0004321500000000, 0.0001294300000000 ] - [ 0.0030596600000000, -0.0001081100000000, 0.0006457000000000 ] - [ 0.0023922700000000, -0.0002005500000000, 0.0002575600000000 ] - [ 0.0033762400000000, -0.0002924000000000, 0.0000829000000000 ] - [ 0.0028800700000000, 0.0004615100000000, 0.0002254800000000 ] - [ 0.0033064400000000, -0.0003603700000000, 0.0007889900000000 ] - [ 0.0025963300000000, 0.0005484000000000, 0.0002675000000000 ] - [ 0.0041767300000000, 0.0006867000000000, 0.0051065400000000 ] - [ 0.0011404800000000, -0.0004464400000000, 0.0001402400000000 ] - [ 0.0012630300000000, 0.0004175300000000, -0.0009772000000000 ] - [ 0.0007487300000000, 0.0001609800000000, -0.0005051200000000 ] - [ 0.0021414400000000, -0.0017671300000000, 0.0000102400000000 ] - [ 0.0043369300000000, 0.0039317800000000, -0.0033729800000000 ] - [ 0.0009353900000000, -0.0005928600000000, 0.0009047200000000 ] - [ 0.0004832900000000, 0.0003029100000000, 0.0006840500000000 ] - [ 0.0033689000000000, 0.0024636900000000, -0.0019934700000000 ] - [ 0.0015560300000000, -0.0009416200000000, -0.0001174400000000 ] - [ 0.0028444600000000, -0.0007900000000000, 0.0034316500000000 ] - [ 0.0008987300000000, 0.0001014400000000, 0.0002310100000000 ] - [ 0.0062040800000000, -0.0026257300000000, 0.0014830000000000 ] - [ 0.0019376000000000, 0.0012327400000000, 0.0004303100000000 ] - [ 0.0007946600000000, -0.0000291800000000, -0.0003026200000000 ] - [ 0.0009274600000000, 0.0003734300000000, 0.0001528100000000 ] - [ -0.0153440900000000, 0.0130237400000000, -0.0227004700000000 ] - [ 0.0008641500000000, -0.0010133200000000, 0.0000619400000000 ] - [ 0.0008385100000000, -0.0004562600000000, 0.0014909600000000 ] - [ 0.0006140200000000, -0.0009250000000000, 0.0009530400000000 ] - [ -0.0021569100000000, -0.0136001500000000, 0.0079782800000000 ] - [ -0.0009464400000000, 0.0136017100000000, -0.0018581400000000 ] - [ 0.0004293200000000, -0.0000364400000000, -0.0001377600000000 ] - [ 0.0003180400000000, -0.0008942400000000, 0.0016072200000000 ] - [ 0.1336672100000000, 0.0405442400000000, 0.0030311200000000 ] - [ 0.0041254300000000, 0.0005819000000000, -0.0002949000000000 ] - [ 0.0028744400000000, 0.0012348100000000, 0.0002120100000000 ] - [ 0.0039006900000000, 0.0013685100000000, -0.0007762500000000 ] - [ -0.0089528900000000, 0.0074471300000000, 0.0141328700000000 ] - [ 0.0005310300000000, -0.0010984700000000, -0.0001048900000000 ] - [ 0.0012500800000000, -0.0013972900000000, -0.0023081300000000 ] - [ 0.0008973100000000, -0.0014392500000000, -0.0018200200000000 ] - [ -0.0108980900000000, 0.0015030200000000, 0.0077022600000000 ] - [ -0.0002532900000000, -0.0000925900000000, 0.0005634900000000 ] - [ 0.0008562700000000, 0.0010014600000000, -0.0005216800000000 ] - [ -0.0007111600000000, -0.0004832900000000, -0.0005090000000000 ] - [ -0.0292274200000000, -0.0134782100000000, -0.0099319500000000 ] - [ 0.0009658200000000, 0.0007724000000000, 0.0003446000000000 ] - [ 0.0008099500000000, -0.0000218100000000, 0.0003597000000000 ] - [ 0.0011877900000000, 0.0004791000000000, 0.0001896800000000 ] - [ -0.0124449200000000, -0.0028196600000000, -0.0066562900000000 ] - [ 0.0006023100000000, -0.0007794700000000, -0.0001388700000000 ] - [ 0.0007412900000000, -0.0006495800000000, 0.0009856300000000 ] - [ -0.0000691200000000, 0.0002395100000000, 0.0003296100000000 ] - [ 0.0026186500000000, -0.0102790900000000, -0.0122170100000000 ] - [ 0.0040253700000000, 0.0027254700000000, 0.0008202800000000 ] - [ 0.0023329600000000, 0.0009869500000000, 0.0006371400000000 ] - [ 0.0035095700000000, 0.0023810900000000, 0.0008884400000000 ] - [ -0.0014028500000000, 0.0016395800000000, -0.0008521700000000 ] - [ 0.0010726600000000, -0.0012053700000000, -0.0011063300000000 ] - [ -0.0000688200000000, 0.0013036400000000, 0.0007433300000000 ] - [ 0.0010752500000000, -0.0006853200000000, 0.0016006900000000 ] - [ 0.0062818700000000, -0.0035889400000000, 0.0027987800000000 ] - [ 0.0040021800000000, -0.0019749200000000, 0.0000805400000000 ] - [ 0.0062910300000000, 0.0006295900000000, -0.0022805400000000 ] - [ 0.0040029100000000, -0.0025860200000000, 0.0005799000000000 ] - [ 0.0042710900000000, 0.0024181500000000, 0.0018948800000000 ] - [ 0.0042722000000000, -0.0123355800000000, 0.0070261100000000 ] - [ 0.0029043700000000, 0.0000061100000000, -0.0015864200000000 ] - [ 0.0029001700000000, -0.0011200700000000, -0.0004660200000000 ] - [ -0.0022554300000000, 0.0122329100000000, 0.0134785600000000 ] - [ 0.0003233900000000, 0.0008479700000000, 0.0024031600000000 ] - [ 0.0011273900000000, 0.0010550700000000, 0.0000346000000000 ] - [ -0.0020551100000000, -0.0154881700000000, -0.0163634800000000 ] - [ -0.0008122000000000, 0.0003640200000000, -0.0003061600000000 ] - [ -0.0007539700000000, 0.0000212100000000, -0.0002452500000000 ] - [ -0.0004517900000000, 0.0005664600000000, -0.0006970900000000 ] - [ -0.0007879200000000, 0.0001421900000000, -0.0004605000000000 ] - [ -0.0011940000000000, -0.0003588500000000, 0.0007301400000000 ] - [ -0.0012936400000000, -0.0009628500000000, 0.0008979900000000 ] - [ -0.0009080000000000, -0.0002582400000000, 0.0004242200000000 ] - [ -0.0008781200000000, -0.0006176300000000, 0.0007386800000000 ] - [ -0.0012366400000000, -0.0003515900000000, -0.0000148400000000 ] - [ -0.0012377300000000, -0.0002294700000000, 0.0000397600000000 ] - [ -0.0010431500000000, -0.0002192000000000, -0.0001203700000000 ] - [ -0.0010451500000000, -0.0003914700000000, -0.0002949200000000 ] - [ -0.0005958400000000, -0.0005281700000000, -0.0005909900000000 ] - [ -0.0008686800000000, -0.0000552600000000, -0.0004314100000000 ] - [ -0.0006274700000000, -0.0003847200000000, -0.0004017500000000 ] - [ -0.0006180100000000, -0.0001312300000000, -0.0002193300000000 ] - [ -0.0019365400000000, 0.0000001300000000, -0.0005289100000000 ] - [ -0.0045239900000000, -0.0018280700000000, -0.0008912200000000 ] - [ -0.0016875300000000, -0.0002244800000000, -0.0003959800000000 ] - [ -0.0016863600000000, -0.0005509500000000, -0.0002349900000000 ] - [ -0.0026518400000000, -0.0013710800000000, -0.0001800100000000 ] - [ -0.0016943500000000, -0.0007086900000000, -0.0001013300000000 ] - [ -0.0019785900000000, -0.0000727800000000, -0.0010485500000000 ] - [ -0.0011989500000000, -0.0005621500000000, -0.0001258300000000 ] - [ -0.0027252400000000, 0.0009992900000000, 0.0001528600000000 ] - [ -0.0020670000000000, 0.0008141800000000, 0.0000740900000000 ] - [ -0.0028438300000000, -0.0005142300000000, -0.0019738000000000 ] - [ -0.0016441400000000, 0.0003043900000000, -0.0004495500000000 ] - [ -0.0018277700000000, -0.0005784800000000, -0.0000318100000000 ] - [ -0.0020588100000000, -0.0008151500000000, -0.0000840400000000 ] - [ -0.0016675800000000, -0.0006433600000000, -0.0002132300000000 ] - [ -0.0015094100000000, -0.0006178800000000, -0.0001631800000000 ] - [ -0.0021434500000000, 0.0010175400000000, 0.0003021000000000 ] - [ -0.0016475300000000, 0.0008885300000000, 0.0000498300000000 ] - [ -0.0024995200000000, 0.0009304500000000, -0.0007080300000000 ] - [ -0.0012447200000000, 0.0002323800000000, -0.0003184600000000 ] - [ -0.0012640000000000, 0.0004769900000000, -0.0002132500000000 ] - [ -0.0009812900000000, 0.0002837800000000, -0.0001556600000000 ] - [ -0.0012636600000000, 0.0002896500000000, 0.0000230400000000 ] - [ -0.0009801100000000, 0.0001175100000000, 0.0000195700000000 ] - [ -0.0018684700000000, 0.0007500000000000, -0.0001349300000000 ] - [ -0.0016622200000000, 0.0006254700000000, -0.0000927900000000 ] - [ -0.0020653200000000, 0.0008070800000000, -0.0002685400000000 ] - [ -0.0014954800000000, 0.0004430700000000, -0.0000836700000000 ] - [ -0.0014247500000000, 0.0007172700000000, 0.0005231200000000 ] - [ -0.0008197400000000, 0.0000665400000000, 0.0001814400000000 ] - [ -0.0010789200000000, 0.0007637400000000, 0.0009747400000000 ] - [ -0.0011682500000000, 0.0005937800000000, 0.0010222700000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0214199200000000, 0.0428601700000000, 0.0135970000000000 ] - [ 0.0037846700000000, -0.0120636400000000, 0.0110769900000000 ] - [ 0.0026663300000000, 0.0036690700000000, -0.0021864900000000 ] - [ -0.0005850300000000, -0.0060972500000000, -0.0054381200000000 ] - [ 0.0063641500000000, 0.0047275200000000, -0.0063301900000000 ] - [ 0.0054076200000000, -0.0149799700000000, 0.0099423600000000 ] - [ 0.0001523600000000, 0.0071336400000000, -0.0014914200000000 ] - [ 0.0049173400000000, -0.0097729400000000, -0.0110610900000000 ] - [ -0.0109502000000000, 0.0101490700000000, -0.0024177100000000 ] - [ 0.0055208300000000, -0.0104953300000000, 0.0046275100000000 ] - [ 0.0001004600000000, 0.0019354800000000, -0.0017879400000000 ] - [ 0.0018404900000000, -0.0022166400000000, -0.0019318200000000 ] - [ 0.0016173400000000, 0.0044273900000000, 0.0001546700000000 ] - [ -0.0022793700000000, -0.0093952600000000, -0.0057855200000000 ] - [ 0.0077986600000000, 0.0059561600000000, -0.0024257500000000 ] - [ -0.0008340400000000, -0.0047633700000000, 0.0053348500000000 ] - [ -0.0013904900000000, 0.0009169500000000, -0.0002813800000000 ] - [ -0.0009352200000000, 0.0000602300000000, -0.0001301600000000 ] - [ -0.0012191800000000, 0.0007546600000000, -0.0008673400000000 ] - [ -0.0006084000000000, 0.0000739800000000, -0.0006340900000000 ] - [ -0.0007783000000000, -0.0001768900000000, -0.0003303100000000 ] - [ -0.0015798200000000, -0.0009731700000000, -0.0007326700000000 ] - [ -0.0008044800000000, -0.0002410800000000, -0.0003441300000000 ] - [ -0.0009042700000000, -0.0004850200000000, -0.0003969700000000 ] - [ -0.0019062600000000, -0.0002070300000000, 0.0001844900000000 ] - [ -0.0018956200000000, -0.0000632800000000, 0.0002404400000000 ] - [ -0.0022215800000000, -0.0001594200000000, -0.0009638700000000 ] - [ -0.0012932400000000, -0.0001046200000000, -0.0003772300000000 ] - [ -0.0013352000000000, 0.0001674900000000, 0.0000872500000000 ] - [ -0.0013129400000000, -0.0002205600000000, -0.0001553400000000 ] - [ -0.0022410600000000, 0.0006924700000000, -0.0004355200000000 ] - [ -0.0019212700000000, -0.0003251500000000, -0.0000954300000000 ] - [ -0.0022112300000000, 0.0009586100000000, -0.0024698100000000 ] - [ -0.0000595000000000, -0.0002310300000000, 0.0002090900000000 ] - [ -0.0002910900000000, 0.0002977700000000, 0.0004508900000000 ] - [ 0.0001976100000000, -0.0006291200000000, -0.0000630400000000 ] - [ 0.0001733400000000, 0.0009269600000000, 0.0001592600000000 ] - [ -0.0024947200000000, -0.0021493500000000, 0.0020282800000000 ] - [ -0.0001232500000000, 0.0002198500000000, -0.0002997800000000 ] - [ -0.0004894800000000, -0.0000832400000000, -0.0006787800000000 ] - [ 0.0000959200000000, 0.0016792500000000, 0.0001725800000000 ] - [ 0.0011126900000000, -0.0012616300000000, 0.0005165900000000 ] - [ -0.0031593100000000, 0.0014806600000000, -0.0035157400000000 ] - [ 0.0001267700000000, -0.0007388500000000, 0.0006874200000000 ] - [ -0.0014693600000000, 0.0033595200000000, 0.0033302500000000 ] - [ -0.0017729400000000, -0.0029256700000000, -0.0007174300000000 ] - [ 0.0004690300000000, 0.0006877400000000, -0.0007711100000000 ] - [ -0.0002662200000000, -0.0007396900000000, -0.0009609100000000 ] - [ -0.0016727100000000, -0.0062697500000000, 0.0019452700000000 ] - [ 0.0000958700000000, 0.0040782400000000, -0.0030094700000000 ] - [ -0.0005911200000000, -0.0012868200000000, 0.0011114800000000 ] - [ -0.0000372600000000, 0.0018308300000000, -0.0015165100000000 ] - [ 0.0076212700000000, 0.0223575500000000, -0.0127437500000000 ] - [ -0.0099016300000000, 0.0220789900000000, -0.0038840800000000 ] - [ -0.0007409000000000, -0.0019247200000000, 0.0031786100000000 ] - [ -0.0007452800000000, -0.0015410900000000, 0.0023309400000000 ] - [ -0.0399311500000000, -0.1347565700000000, -0.0559870800000000 ] - [ 0.0002778700000000, 0.0050859500000000, 0.0015946500000000 ] - [ -0.0003629000000000, -0.0006682500000000, 0.0005110700000000 ] - [ -0.0004928300000000, 0.0034503700000000, 0.0037664400000000 ] - [ 0.0006830400000000, -0.0078960700000000, -0.0067012700000000 ] - [ -0.0004496500000000, 0.0034637400000000, 0.0009372800000000 ] - [ -0.0000674100000000, -0.0006453700000000, -0.0000433800000000 ] - [ -0.0002113900000000, 0.0026085800000000, 0.0026999600000000 ] - [ -0.0065100800000000, -0.0053794200000000, -0.0026216100000000 ] - [ 0.0015183400000000, 0.0034947900000000, -0.0007054900000000 ] - [ -0.0010380600000000, -0.0012753600000000, 0.0007810700000000 ] - [ 0.0015503300000000, 0.0017934400000000, 0.0007898000000000 ] - [ 0.0157127900000000, 0.0090976000000000, 0.0052544000000000 ] - [ -0.0014084100000000, -0.0000238400000000, -0.0003909700000000 ] - [ -0.0000716800000000, -0.0003495500000000, 0.0002038300000000 ] - [ -0.0001489900000000, 0.0000797400000000, 0.0002698400000000 ] - [ 0.0156760500000000, -0.0087524900000000, 0.0032889200000000 ] - [ -0.0042028600000000, 0.0026505700000000, -0.0016443200000000 ] - [ -0.0003024100000000, -0.0007450000000000, 0.0001434300000000 ] - [ -0.0019449600000000, 0.0013595500000000, 0.0001276700000000 ] - [ 0.0100803500000000, 0.0167057700000000, 0.0168426700000000 ] - [ -0.0028543200000000, -0.0001775800000000, -0.0018171300000000 ] - [ -0.0011054000000000, -0.0011040400000000, -0.0006239500000000 ] - [ -0.0025053700000000, 0.0003756700000000, 0.0022251100000000 ] - [ 0.0003833700000000, -0.0003470000000000, 0.0002247900000000 ] - [ 0.0012057900000000, 0.0003715600000000, 0.0012065700000000 ] - [ -0.0013714800000000, -0.0000140500000000, -0.0001152500000000 ] - [ -0.0000110300000000, 0.0003156700000000, -0.0007487500000000 ] - [ 0.0015024300000000, -0.0051806000000000, 0.0002682200000000 ] - [ -0.0017133500000000, 0.0040190600000000, -0.0014164000000000 ] - [ -0.0026978100000000, -0.0051921200000000, 0.0096562600000000 ] - [ -0.0011046700000000, 0.0040101200000000, -0.0030009500000000 ] - [ -0.0124583200000000, 0.0125421100000000, 0.0052311100000000 ] - [ 0.0022981800000000, 0.0124010800000000, -0.0082986100000000 ] - [ -0.0012408000000000, -0.0000998300000000, 0.0004945600000000 ] - [ -0.0001149500000000, -0.0000845100000000, 0.0017440300000000 ] - [ -0.0019215800000000, 0.0145715500000000, 0.0138685500000000 ] - [ -0.0004158400000000, -0.0001070400000000, -0.0016183100000000 ] - [ -0.0010163100000000, -0.0018106200000000, -0.0028920800000000 ] - [ 0.0002771400000000, 0.0251305300000000, 0.0259500500000000 ] - [ 0.0004865900000000, 0.0003699000000000, -0.0006872900000000 ] - [ 0.0003398800000000, 0.0003666100000000, -0.0005712700000000 ] - [ 0.0001985500000000, -0.0000273300000000, -0.0000231500000000 ] - [ 0.0006885500000000, 0.0003512600000000, -0.0001612900000000 ] - [ -0.0000635400000000, -0.0007208300000000, 0.0007722200000000 ] - [ 0.0001582600000000, -0.0002713600000000, 0.0006314800000000 ] - [ -0.0001184700000000, -0.0007647700000000, 0.0009515400000000 ] - [ -0.0000757500000000, -0.0004913800000000, 0.0007650900000000 ] - [ 0.0010987100000000, 0.0006235700000000, -0.0000333700000000 ] - [ 0.0012221400000000, 0.0006243600000000, -0.0000884000000000 ] - [ 0.0012598400000000, 0.0006618800000000, 0.0001234900000000 ] - [ 0.0010885900000000, 0.0006631800000000, 0.0001226700000000 ] - [ 0.0005450500000000, -0.0002332200000000, -0.0004504000000000 ] - [ 0.0005368200000000, -0.0004919300000000, -0.0004455300000000 ] - [ 0.0002062900000000, 0.0000191300000000, -0.0000079100000000 ] - [ 0.0002316200000000, -0.0002682600000000, -0.0003038400000000 ] - [ 0.0001099300000000, 0.0002557700000000, -0.0000890400000000 ] - [ 0.0017386800000000, 0.0009780900000000, 0.0003858300000000 ] - [ 0.0001562900000000, 0.0003178200000000, 0.0000199700000000 ] - [ 0.0003226800000000, 0.0003158200000000, 0.0000999800000000 ] - [ 0.0007426100000000, 0.0001828100000000, -0.0001046200000000 ] - [ 0.0009952800000000, 0.0009303900000000, -0.0003732300000000 ] - [ 0.0014985300000000, -0.0007461500000000, 0.0015618500000000 ] - [ 0.0005544900000000, 0.0002791300000000, 0.0001558500000000 ] - [ 0.0009049900000000, -0.0009154900000000, -0.0002764800000000 ] - [ 0.0001458300000000, -0.0002967800000000, -0.0001633600000000 ] - [ 0.0007885700000000, -0.0001894400000000, 0.0005832700000000 ] - [ 0.0000844300000000, -0.0002880300000000, -0.0000166100000000 ] - [ 0.0004530400000000, 0.0001657600000000, -0.0001449800000000 ] - [ 0.0006888100000000, 0.0003195300000000, -0.0001128400000000 ] - [ 0.0005172000000000, 0.0002686500000000, 0.0000222400000000 ] - [ 0.0004924500000000, 0.0003705800000000, 0.0000928300000000 ] - [ 0.0004306900000000, -0.0002859700000000, 0.0001782800000000 ] - [ 0.0003717900000000, 0.0003857500000000, 0.0004541300000000 ] - [ 0.0018539800000000, -0.0013381600000000, -0.0000447900000000 ] - [ 0.0006861300000000, 0.0003940200000000, 0.0004612700000000 ] - [ 0.0011577100000000, -0.0007271600000000, 0.0001213500000000 ] - [ 0.0009872800000000, -0.0005455400000000, 0.0000617100000000 ] - [ 0.0013440400000000, -0.0007272200000000, -0.0000492200000000 ] - [ 0.0011544500000000, -0.0005461600000000, -0.0000422600000000 ] - [ 0.0006239300000000, -0.0003004200000000, -0.0001219100000000 ] - [ 0.0004987900000000, -0.0001963800000000, -0.0001259700000000 ] - [ 0.0006822500000000, -0.0005052500000000, 0.0002290200000000 ] - [ 0.0003173700000000, -0.0001413700000000, -0.0000112200000000 ] - [ 0.0001127300000000, 0.0004363100000000, 0.0008123400000000 ] - [ -0.0001740900000000, 0.0008743500000000, 0.0010667400000000 ] - [ -0.0000484600000000, 0.0003720400000000, 0.0005881600000000 ] - [ 0.0000520800000000, 0.0006150900000000, 0.0005976200000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0189966100000000, -0.0395176800000000, -0.0120071700000000 ] - [ -0.0030598100000000, 0.0128803500000000, -0.0117109500000000 ] - [ -0.0018901200000000, -0.0027201900000000, 0.0015173700000000 ] - [ 0.0012960000000000, 0.0069044200000000, 0.0047792400000000 ] - [ -0.0053529800000000, -0.0058512000000000, 0.0049526000000000 ] - [ -0.0046108600000000, 0.0139931300000000, -0.0104286400000000 ] - [ 0.0006033000000000, -0.0080194400000000, 0.0008695300000000 ] - [ -0.0041554200000000, 0.0088499200000000, 0.0103370500000000 ] - [ 0.0094040800000000, -0.0105903900000000, 0.0023490600000000 ] - [ -0.0062361500000000, 0.0102275600000000, -0.0046500200000000 ] - [ -0.0008570900000000, -0.0021937100000000, 0.0017075200000000 ] - [ -0.0026006900000000, 0.0019893500000000, 0.0018526600000000 ] - [ -0.0024084400000000, -0.0040905700000000, -0.0002874200000000 ] - [ 0.0015328100000000, 0.0096336800000000, 0.0057441200000000 ] - [ -0.0085368600000000, -0.0056314400000000, 0.0023638900000000 ] - [ 0.0000984200000000, 0.0049952400000000, -0.0054364200000000 ] - [ 0.0021209300000000, -0.0000381000000000, -0.0003435500000000 ] - [ 0.0016666700000000, 0.0008198200000000, -0.0004935800000000 ] - [ 0.0019495000000000, 0.0001257100000000, 0.0002385400000000 ] - [ 0.0013431000000000, 0.0008052000000000, 0.0000078500000000 ] - [ 0.0015098800000000, -0.0007009800000000, -0.0002949900000000 ] - [ 0.0023070800000000, 0.0000879000000000, 0.0001070200000000 ] - [ 0.0015355000000000, -0.0006372700000000, -0.0002831200000000 ] - [ 0.0016384000000000, -0.0003973100000000, -0.0002286900000000 ] - [ 0.0011393400000000, -0.0000328900000000, -0.0002472800000000 ] - [ 0.0011244800000000, -0.0001829600000000, -0.0003062400000000 ] - [ 0.0014550800000000, -0.0000799700000000, 0.0008928700000000 ] - [ 0.0005285200000000, -0.0001380200000000, 0.0003071000000000 ] - [ 0.0005714200000000, 0.0000701800000000, -0.0001515300000000 ] - [ 0.0005484700000000, 0.0004639600000000, 0.0000886400000000 ] - [ 0.0014744400000000, -0.0004503500000000, 0.0003667700000000 ] - [ 0.0011519600000000, 0.0005668000000000, 0.0000264400000000 ] - [ 0.0023917200000000, -0.0009694000000000, 0.0024559200000000 ] - [ 0.0002483700000000, 0.0002346300000000, -0.0001976000000000 ] - [ 0.0004788800000000, -0.0003082100000000, -0.0004453900000000 ] - [ -0.0000052100000000, 0.0006314100000000, 0.0000667900000000 ] - [ 0.0000132700000000, -0.0009152700000000, -0.0001560700000000 ] - [ 0.0026842000000000, 0.0021347000000000, -0.0020132100000000 ] - [ 0.0003097000000000, -0.0002182400000000, 0.0002979100000000 ] - [ 0.0006821300000000, 0.0000816200000000, 0.0006834900000000 ] - [ 0.0001084200000000, -0.0016531700000000, -0.0001705900000000 ] - [ -0.0009283300000000, 0.0012484300000000, -0.0004990800000000 ] - [ 0.0033281700000000, -0.0014786200000000, 0.0034984800000000 ] - [ 0.0000572300000000, 0.0007243200000000, -0.0006880800000000 ] - [ 0.0016641500000000, -0.0033431500000000, -0.0032904600000000 ] - [ 0.0019284700000000, 0.0029142300000000, 0.0007145500000000 ] - [ -0.0002710700000000, -0.0006837300000000, 0.0007671600000000 ] - [ 0.0004510800000000, 0.0007413600000000, 0.0009578900000000 ] - [ 0.0019189900000000, 0.0067456000000000, -0.0025597400000000 ] - [ 0.0000525900000000, -0.0035526300000000, 0.0022990700000000 ] - [ 0.0007445200000000, 0.0017993900000000, -0.0018130600000000 ] - [ 0.0001876100000000, -0.0013263900000000, 0.0008235800000000 ] - [ -0.0081367000000000, -0.0231288500000000, 0.0140424400000000 ] - [ 0.0094151100000000, -0.0234260900000000, 0.0053489700000000 ] - [ 0.0000716500000000, 0.0007772300000000, -0.0016448100000000 ] - [ 0.0000775200000000, 0.0004243700000000, -0.0008220900000000 ] - [ 0.0394403200000000, 0.1335913900000000, 0.0542121200000000 ] - [ 0.0007047700000000, -0.0043311700000000, -0.0016082700000000 ] - [ 0.0013544800000000, 0.0014121700000000, -0.0005159500000000 ] - [ 0.0014886200000000, -0.0026842800000000, -0.0037499700000000 ] - [ -0.0004702200000000, 0.0073738900000000, 0.0059578800000000 ] - [ 0.0005923100000000, -0.0039757800000000, -0.0016356400000000 ] - [ 0.0002254600000000, 0.0001385700000000, -0.0006445300000000 ] - [ 0.0003647300000000, -0.0031365600000000, -0.0034190400000000 ] - [ 0.0058000300000000, 0.0056968400000000, 0.0024721800000000 ] - [ -0.0021269300000000, -0.0031579500000000, 0.0004957100000000 ] - [ 0.0003937800000000, 0.0015815500000000, -0.0009685600000000 ] - [ -0.0021618900000000, -0.0014701200000000, -0.0009677400000000 ] - [ -0.0154077400000000, -0.0092387600000000, -0.0050384300000000 ] - [ 0.0016360700000000, -0.0000876200000000, 0.0006009300000000 ] - [ 0.0003121200000000, 0.0002456900000000, 0.0000089300000000 ] - [ 0.0003904000000000, -0.0001878400000000, -0.0000532200000000 ] - [ -0.0161793600000000, 0.0082608300000000, -0.0034954200000000 ] - [ 0.0035775600000000, -0.0029546100000000, 0.0014600700000000 ] - [ -0.0003456000000000, 0.0004314600000000, -0.0003305500000000 ] - [ 0.0013079500000000, -0.0016652800000000, -0.0003189700000000 ] - [ -0.0104589100000000, -0.0168233200000000, -0.0171749200000000 ] - [ 0.0025645100000000, 0.0001609800000000, 0.0016809900000000 ] - [ 0.0008422800000000, 0.0011271900000000, 0.0005199000000000 ] - [ 0.0022246400000000, -0.0003754500000000, -0.0023262000000000 ] - [ -0.0001157400000000, 0.0004324100000000, -0.0000043100000000 ] - [ -0.0009815300000000, -0.0002571000000000, -0.0009966100000000 ] - [ 0.0016144800000000, 0.0001100000000000, 0.0003297600000000 ] - [ 0.0002446000000000, -0.0002047500000000, 0.0009591900000000 ] - [ -0.0005052600000000, 0.0043883600000000, -0.0001546900000000 ] - [ 0.0026992300000000, -0.0047327300000000, 0.0013810000000000 ] - [ 0.0036810000000000, 0.0043767000000000, -0.0096874700000000 ] - [ 0.0020930400000000, -0.0047414200000000, 0.0029899100000000 ] - [ 0.0120504200000000, -0.0124081000000000, -0.0052613800000000 ] - [ -0.0026295500000000, -0.0125529300000000, 0.0082822800000000 ] - [ 0.0009775300000000, 0.0000663400000000, -0.0005870900000000 ] - [ -0.0001442500000000, 0.0000818000000000, -0.0018631200000000 ] - [ 0.0012282600000000, -0.0133706300000000, -0.0122027500000000 ] - [ -0.0002480300000000, 0.0011949900000000, 0.0030742100000000 ] - [ 0.0003515400000000, 0.0029447600000000, 0.0043975500000000 ] - [ -0.0009191900000000, -0.0237291300000000, -0.0242260600000000 ] - [ -0.0003277300000000, 0.0001506400000000, -0.0000213800000000 ] - [ -0.0001802700000000, 0.0001509900000000, -0.0001378300000000 ] - [ -0.0000419300000000, 0.0005443500000000, -0.0006806700000000 ] - [ -0.0005291000000000, 0.0001660900000000, -0.0005446000000000 ] - [ -0.0005993600000000, -0.0003967400000000, 0.0007245900000000 ] - [ -0.0008219400000000, -0.0008457700000000, 0.0008665400000000 ] - [ -0.0005456800000000, -0.0003534700000000, 0.0005480000000000 ] - [ -0.0005871900000000, -0.0006264000000000, 0.0007323700000000 ] - [ -0.0000991700000000, 0.0001201800000000, 0.0000195500000000 ] - [ -0.0002209300000000, 0.0001212700000000, 0.0000736700000000 ] - [ -0.0002590100000000, 0.0000810100000000, -0.0001370500000000 ] - [ -0.0000879700000000, 0.0000822900000000, -0.0001352400000000 ] - [ -0.0003853700000000, -0.0002878200000000, -0.0002580700000000 ] - [ -0.0003792900000000, -0.0000255800000000, -0.0002583700000000 ] - [ -0.0000472900000000, -0.0005384500000000, -0.0006988500000000 ] - [ -0.0000751600000000, -0.0002485600000000, -0.0004007100000000 ] - [ -0.0007402800000000, 0.0000543900000000, -0.0001011600000000 ] - [ -0.0023602600000000, -0.0006580300000000, -0.0005760200000000 ] - [ -0.0007898100000000, -0.0000084900000000, -0.0002096800000000 ] - [ -0.0009561300000000, -0.0000034600000000, -0.0002919800000000 ] - [ -0.0004959300000000, -0.0002875400000000, 0.0003157900000000 ] - [ -0.0007409900000000, -0.0010244700000000, 0.0005818700000000 ] - [ -0.0012505100000000, 0.0006364300000000, -0.0013423300000000 ] - [ -0.0003128500000000, -0.0003851600000000, 0.0000588900000000 ] - [ -0.0015360200000000, 0.0006037100000000, 0.0000833900000000 ] - [ -0.0007776400000000, -0.0000182200000000, -0.0000300800000000 ] - [ -0.0014197400000000, -0.0001168700000000, -0.0007695600000000 ] - [ -0.0007205000000000, -0.0000248200000000, -0.0001772900000000 ] - [ -0.0007134700000000, -0.0001529500000000, 0.0000340700000000 ] - [ -0.0009477900000000, -0.0003051300000000, -0.0000001300000000 ] - [ -0.0007768800000000, -0.0002558800000000, -0.0001324100000000 ] - [ -0.0007522800000000, -0.0003548500000000, -0.0002030900000000 ] - [ -0.0001818600000000, 0.0003859200000000, 0.0000395200000000 ] - [ -0.0001265600000000, -0.0002804300000000, -0.0002406400000000 ] - [ -0.0015981800000000, 0.0014332300000000, 0.0002575600000000 ] - [ -0.0004451000000000, -0.0002833200000000, -0.0002457600000000 ] - [ -0.0001594100000000, -0.0000152600000000, -0.0001353300000000 ] - [ 0.0000121100000000, -0.0001996500000000, -0.0000750900000000 ] - [ -0.0003446100000000, -0.0000154200000000, 0.0000340500000000 ] - [ -0.0001508100000000, -0.0002004600000000, 0.0000290200000000 ] - [ -0.0008843700000000, 0.0002858000000000, 0.0000106100000000 ] - [ -0.0007589300000000, 0.0001833100000000, 0.0000135900000000 ] - [ -0.0009409200000000, 0.0004885700000000, -0.0003381500000000 ] - [ -0.0005782900000000, 0.0001271300000000, -0.0000991600000000 ] - [ -0.0007747300000000, 0.0006808500000000, 0.0006866000000000 ] - [ -0.0004910700000000, 0.0002448900000000, 0.0004333800000000 ] - [ -0.0006162300000000, 0.0007455900000000, 0.0009107600000000 ] - [ -0.0007153300000000, 0.0005019600000000, 0.0009003700000000 ]- atom: 57 displacement: [ -0.0002521786343742, 0.0000000000000000, 0.0099968197911318 ] forces: - [ 0.0135848000000000, 0.0155040000000000, 0.0245144700000000 ] - [ -0.0030042800000000, -0.0022244700000000, 0.0090541000000000 ] - [ 0.0035108100000000, 0.0064383600000000, -0.0097538700000000 ] - [ -0.0031291300000000, -0.0091003800000000, -0.0101560500000000 ] - [ -0.0039085600000000, -0.0120102900000000, 0.0080380000000000 ] - [ 0.0031689500000000, -0.0057866700000000, 0.0061700900000000 ] - [ -0.0034723800000000, 0.0089565300000000, -0.0101996800000000 ] - [ 0.0017451600000000, -0.0062340100000000, -0.0098864100000000 ] - [ -0.0039077200000000, 0.0024515800000000, 0.0189753600000000 ] - [ 0.0019351200000000, -0.0047823000000000, 0.0063907600000000 ] - [ -0.0012416300000000, 0.0011865700000000, -0.0054017600000000 ] - [ -0.0005659400000000, -0.0007743900000000, -0.0043634100000000 ] - [ -0.0071540600000000, 0.0070020000000000, -0.0033364900000000 ] - [ -0.0046370600000000, -0.0069112000000000, -0.0038173000000000 ] - [ 0.0077878900000000, -0.0034480700000000, -0.0051354100000000 ] - [ 0.0008850900000000, 0.0010948700000000, -0.0022147700000000 ] - [ 0.0005214000000000, 0.0003583700000000, -0.0000070600000000 ] - [ 0.0005705900000000, 0.0004029500000000, -0.0000368800000000 ] - [ -0.0001124500000000, 0.0005892000000000, -0.0006721300000000 ] - [ 0.0001326400000000, 0.0004036200000000, -0.0006059300000000 ] - [ 0.0003191800000000, -0.0004038600000000, 0.0000122200000000 ] - [ 0.0002425500000000, -0.0005929900000000, -0.0000685900000000 ] - [ 0.0002239600000000, -0.0003213000000000, -0.0005658500000000 ] - [ 0.0003135500000000, -0.0004515900000000, -0.0006755100000000 ] - [ -0.0003333900000000, -0.0000633600000000, 0.0006774300000000 ] - [ -0.0004076900000000, -0.0001672300000000, 0.0005528100000000 ] - [ -0.0010716700000000, -0.0001379000000000, -0.0010439300000000 ] - [ -0.0003450300000000, -0.0001304300000000, -0.0005502000000000 ] - [ 0.0003853600000000, -0.0001995100000000, 0.0001905600000000 ] - [ 0.0000711400000000, -0.0000212300000000, -0.0000013300000000 ] - [ -0.0010514900000000, 0.0005692000000000, -0.0002090700000000 ] - [ -0.0009212200000000, -0.0000898700000000, 0.0000266200000000 ] - [ -0.0008687100000000, -0.0004996700000000, 0.0005612200000000 ] - [ -0.0005133900000000, 0.0004305500000000, 0.0007036700000000 ] - [ 0.0005861200000000, 0.0002156500000000, -0.0005077800000000 ] - [ 0.0006966400000000, -0.0003552400000000, -0.0006528600000000 ] - [ 0.0008402600000000, 0.0000592400000000, 0.0010631400000000 ] - [ 0.0005887500000000, 0.0002993800000000, 0.0001318400000000 ] - [ -0.0004256400000000, 0.0000309300000000, -0.0008624800000000 ] - [ -0.0003886200000000, -0.0000596700000000, -0.0006705500000000 ] - [ 0.0028799800000000, 0.0030827500000000, -0.0008117500000000 ] - [ 0.0020132500000000, -0.0013795700000000, 0.0008919000000000 ] - [ -0.0029832600000000, 0.0007402700000000, -0.0031455100000000 ] - [ -0.0003470900000000, -0.0003339600000000, 0.0000147500000000 ] - [ -0.0011010000000000, 0.0023094800000000, 0.0053130200000000 ] - [ -0.0007305600000000, -0.0013869600000000, 0.0005348600000000 ] - [ 0.0009712600000000, 0.0005199100000000, -0.0018882000000000 ] - [ 0.0003655100000000, -0.0005145900000000, -0.0012308700000000 ] - [ 0.0090485800000000, -0.0024149700000000, 0.0024440900000000 ] - [ 0.0006322100000000, 0.0028696800000000, -0.0030264400000000 ] - [ -0.0006015300000000, -0.0017810600000000, 0.0026239200000000 ] - [ -0.0001191800000000, -0.0005651800000000, 0.0010051600000000 ] - [ 0.0004085100000000, 0.0062168100000000, -0.0132626000000000 ] - [ -0.0029812600000000, 0.0125825000000000, -0.0095016200000000 ] - [ -0.0006852500000000, -0.0035696100000000, 0.0054654900000000 ] - [ -0.0005640200000000, -0.0034239000000000, 0.0056035100000000 ] - [ -0.0002856600000000, -0.0538327500000000, -0.1183715300000000 ] - [ 0.0008702400000000, 0.0019737400000000, -0.0005831100000000 ] - [ 0.0003303400000000, 0.0009018500000000, 0.0039949700000000 ] - [ 0.0013408000000000, 0.0041356400000000, 0.0042655100000000 ] - [ -0.0064822100000000, -0.0014857800000000, 0.0002799800000000 ] - [ -0.0003778300000000, -0.0001875900000000, -0.0006509700000000 ] - [ 0.0007963100000000, 0.0007826800000000, 0.0018179000000000 ] - [ 0.0002251500000000, 0.0021719600000000, 0.0024291100000000 ] - [ -0.0144229200000000, -0.0038700400000000, -0.0006702100000000 ] - [ -0.0001300300000000, 0.0014583200000000, -0.0008206000000000 ] - [ 0.0008528500000000, -0.0005613800000000, 0.0015483700000000 ] - [ 0.0012920400000000, 0.0011973900000000, 0.0009316400000000 ] - [ -0.0035440300000000, -0.0019958600000000, 0.0007937100000000 ] - [ -0.0006598700000000, -0.0000751400000000, -0.0007684500000000 ] - [ 0.0005131700000000, -0.0001611100000000, 0.0007400800000000 ] - [ 0.0004354800000000, 0.0000232700000000, 0.0008734500000000 ] - [ 0.0150695200000000, -0.0032962400000000, 0.0028501300000000 ] - [ -0.0010636300000000, 0.0007159200000000, -0.0009223100000000 ] - [ -0.0009962000000000, -0.0005597500000000, 0.0010231500000000 ] - [ -0.0022803400000000, 0.0017051100000000, 0.0004370300000000 ] - [ 0.0119848400000000, 0.0166629600000000, 0.0087534800000000 ] - [ -0.0008977900000000, -0.0016775200000000, -0.0021550500000000 ] - [ -0.0007681700000000, -0.0005461600000000, 0.0014656200000000 ] - [ -0.0009901100000000, 0.0023393200000000, 0.0030806200000000 ] - [ 0.0028722600000000, -0.0014886400000000, 0.0008667900000000 ] - [ 0.0017590700000000, -0.0002032300000000, 0.0004865700000000 ] - [ -0.0025167300000000, 0.0014102500000000, -0.0001240700000000 ] - [ -0.0004175500000000, 0.0001106600000000, 0.0002388900000000 ] - [ 0.0028192000000000, -0.0100135100000000, 0.0196100600000000 ] - [ -0.0000058100000000, 0.0025716800000000, -0.0010222600000000 ] - [ -0.0021107300000000, -0.0005320300000000, 0.0198422400000000 ] - [ 0.0004904600000000, 0.0009760300000000, -0.0010223900000000 ] - [ -0.0070580800000000, 0.0083376000000000, 0.0001911000000000 ] - [ -0.0019993000000000, -0.0055363000000000, 0.0003128400000000 ] - [ 0.0003419400000000, -0.0017994200000000, 0.0019949400000000 ] - [ 0.0014513300000000, -0.0005711900000000, 0.0020190900000000 ] - [ -0.0031404400000000, 0.0243927500000000, 0.0277980200000000 ] - [ -0.0007268800000000, -0.0008629600000000, -0.0005983000000000 ] - [ 0.0002195700000000, -0.0023045600000000, -0.0000086000000000 ] - [ -0.0004504000000000, 0.0156512200000000, 0.0188381700000000 ] - [ 0.0001312700000000, 0.0004887100000000, -0.0008292400000000 ] - [ -0.0000520100000000, 0.0003202700000000, -0.0006462000000000 ] - [ 0.0000344100000000, 0.0000096600000000, 0.0000113900000000 ] - [ 0.0004250000000000, 0.0002610900000000, -0.0000663900000000 ] - [ -0.0002995300000000, -0.0004340500000000, 0.0004665600000000 ] - [ -0.0003433800000000, -0.0004208500000000, 0.0004935700000000 ] - [ -0.0003140200000000, -0.0007285600000000, 0.0010160200000000 ] - [ -0.0003265600000000, -0.0006466600000000, 0.0009587700000000 ] - [ 0.0004130300000000, 0.0002747700000000, -0.0001589000000000 ] - [ 0.0004675300000000, 0.0003319600000000, -0.0001581900000000 ] - [ 0.0007493400000000, 0.0004867500000000, 0.0001735600000000 ] - [ 0.0005766600000000, 0.0004852900000000, 0.0001701400000000 ] - [ 0.0003188000000000, -0.0003987700000000, -0.0006617200000000 ] - [ 0.0002325400000000, -0.0004933000000000, -0.0005767500000000 ] - [ -0.0001478800000000, 0.0000101400000000, 0.0000779600000000 ] - [ -0.0000773600000000, -0.0001099300000000, -0.0001312000000000 ] - [ -0.0003264900000000, 0.0003599200000000, -0.0004953500000000 ] - [ -0.0002336300000000, 0.0005040500000000, -0.0005027600000000 ] - [ -0.0002839000000000, -0.0000750100000000, 0.0002334700000000 ] - [ -0.0002946600000000, -0.0000785900000000, 0.0002438500000000 ] - [ -0.0003622900000000, 0.0000078000000000, -0.0006796800000000 ] - [ 0.0001312100000000, 0.0005675000000000, -0.0005949800000000 ] - [ 0.0009018100000000, -0.0009395200000000, 0.0015097400000000 ] - [ 0.0001394500000000, -0.0001376400000000, 0.0003668400000000 ] - [ -0.0005592600000000, -0.0000379100000000, -0.0001090300000000 ] - [ -0.0006161400000000, -0.0000259700000000, -0.0001291600000000 ] - [ 0.0001751900000000, -0.0001625400000000, 0.0002226600000000 ] - [ -0.0000031800000000, -0.0003177700000000, -0.0000472900000000 ] - [ -0.0001930900000000, -0.0000961700000000, -0.0002283700000000 ] - [ -0.0001471300000000, -0.0000679200000000, -0.0001888300000000 ] - [ -0.0000091500000000, 0.0000679000000000, 0.0000406800000000 ] - [ -0.0000567900000000, 0.0001398600000000, 0.0001130000000000 ] - [ -0.0009011000000000, 0.0004627800000000, 0.0004906400000000 ] - [ -0.0004168700000000, 0.0007071600000000, 0.0004604400000000 ] - [ 0.0011187000000000, -0.0011454500000000, -0.0003533900000000 ] - [ 0.0003824100000000, 0.0001516200000000, 0.0001119900000000 ] - [ 0.0004291400000000, -0.0003101900000000, -0.0000106800000000 ] - [ 0.0004386000000000, -0.0003213100000000, 0.0000033300000000 ] - [ 0.0006624200000000, -0.0004833700000000, -0.0000062000000000 ] - [ 0.0006131600000000, -0.0004291100000000, 0.0000069800000000 ] - [ -0.0000918200000000, 0.0000766000000000, -0.0002124900000000 ] - [ -0.0001305700000000, 0.0000788200000000, -0.0001933700000000 ] - [ 0.0000372500000000, -0.0002720900000000, 0.0002386400000000 ] - [ -0.0001347600000000, -0.0000400700000000, 0.0000319100000000 ] - [ -0.0001511900000000, 0.0004895900000000, 0.0007490100000000 ] - [ -0.0002705000000000, 0.0005702200000000, 0.0007518200000000 ] - [ -0.0003905000000000, 0.0005722900000000, 0.0007641700000000 ] - [ -0.0004401300000000, 0.0006117900000000, 0.0008107800000000 ]- atom: 57 displacement: [ 0.0002521786343742, 0.0000000000000000, -0.0099968197911318 ] forces: - [ -0.0119651700000000, -0.0131132300000000, -0.0244429100000000 ] - [ 0.0038075900000000, 0.0030970600000000, -0.0096868400000000 ] - [ -0.0027994500000000, -0.0056452600000000, 0.0092245900000000 ] - [ 0.0039216900000000, 0.0100922300000000, 0.0096100800000000 ] - [ 0.0058306800000000, 0.0101808000000000, -0.0103583400000000 ] - [ -0.0024157000000000, 0.0049388500000000, -0.0068513700000000 ] - [ 0.0042115300000000, -0.0098056600000000, 0.0096240100000000 ] - [ -0.0010007600000000, 0.0053539600000000, 0.0093177500000000 ] - [ 0.0029705400000000, -0.0028346400000000, -0.0192501500000000 ] - [ -0.0026929500000000, 0.0045722100000000, -0.0064734200000000 ] - [ 0.0005307500000000, -0.0014328100000000, 0.0053594700000000 ] - [ -0.0001656800000000, 0.0005278400000000, 0.0043121800000000 ] - [ 0.0065354000000000, -0.0067469300000000, 0.0031403200000000 ] - [ 0.0039254100000000, 0.0071663200000000, 0.0037441300000000 ] - [ -0.0085046300000000, 0.0037016200000000, 0.0051500800000000 ] - [ -0.0016322000000000, -0.0008730000000000, 0.0022023600000000 ] - [ 0.0001944600000000, 0.0005251300000000, -0.0006179800000000 ] - [ 0.0001493600000000, 0.0004744200000000, -0.0005875400000000 ] - [ 0.0008289900000000, 0.0002935200000000, 0.0000396200000000 ] - [ 0.0005939900000000, 0.0004732400000000, -0.0000216600000000 ] - [ 0.0003998900000000, -0.0004715500000000, -0.0006394400000000 ] - [ 0.0004673300000000, -0.0002948400000000, -0.0005632600000000 ] - [ 0.0004992500000000, -0.0005568900000000, -0.0000590300000000 ] - [ 0.0004132200000000, -0.0004297900000000, 0.0000519000000000 ] - [ -0.0004449500000000, -0.0001824700000000, -0.0007487300000000 ] - [ -0.0003646800000000, -0.0000726700000000, -0.0006215900000000 ] - [ 0.0002974300000000, -0.0001042700000000, 0.0009794800000000 ] - [ -0.0004280500000000, -0.0001102600000000, 0.0004847500000000 ] - [ -0.0011700300000000, 0.0004466500000000, -0.0002617000000000 ] - [ -0.0008464600000000, 0.0002616100000000, -0.0000682300000000 ] - [ 0.0002780200000000, -0.0003250700000000, 0.0001413300000000 ] - [ 0.0001553400000000, 0.0003282900000000, -0.0000908200000000 ] - [ 0.0010373000000000, 0.0004963000000000, -0.0005973300000000 ] - [ 0.0007010700000000, -0.0004301500000000, -0.0007034300000000 ] - [ -0.0004003000000000, -0.0002170900000000, 0.0005220800000000 ] - [ -0.0005069400000000, 0.0003581500000000, 0.0006619700000000 ] - [ -0.0006620700000000, -0.0000495300000000, -0.0010574300000000 ] - [ -0.0004276100000000, -0.0003273200000000, -0.0001023600000000 ] - [ 0.0006171300000000, -0.0000300400000000, 0.0008643400000000 ] - [ 0.0005839500000000, 0.0000575400000000, 0.0006724300000000 ] - [ -0.0027211700000000, -0.0031138700000000, 0.0008254400000000 ] - [ -0.0018440600000000, 0.0013981400000000, -0.0009013400000000 ] - [ 0.0031686700000000, -0.0007454000000000, 0.0031509500000000 ] - [ 0.0005357400000000, 0.0003365400000000, -0.0000067800000000 ] - [ 0.0012825400000000, -0.0023047300000000, -0.0053336100000000 ] - [ 0.0009263700000000, 0.0013881500000000, -0.0005295900000000 ] - [ -0.0007995900000000, -0.0005220600000000, 0.0019014300000000 ] - [ -0.0001883000000000, 0.0005158700000000, 0.0012409500000000 ] - [ -0.0088737700000000, 0.0028725200000000, -0.0029899300000000 ] - [ -0.0004847400000000, -0.0023605400000000, 0.0023374300000000 ] - [ 0.0007519700000000, 0.0023087400000000, -0.0033489400000000 ] - [ 0.0002715100000000, 0.0010981600000000, -0.0017298300000000 ] - [ -0.0011281400000000, -0.0074061600000000, 0.0146990400000000 ] - [ 0.0022939600000000, -0.0137345300000000, 0.0111246700000000 ] - [ 0.0000197000000000, 0.0024899700000000, -0.0040117800000000 ] - [ -0.0001038600000000, 0.0023105400000000, -0.0041331700000000 ] - [ -0.0007752600000000, 0.0543238800000000, 0.1199001000000000 ] - [ 0.0001144900000000, -0.0012391800000000, 0.0005728700000000 ] - [ 0.0006497600000000, -0.0001685400000000, -0.0040323000000000 ] - [ -0.0003675200000000, -0.0034285000000000, -0.0043106200000000 ] - [ 0.0065999000000000, 0.0009524200000000, -0.0010213100000000 ] - [ 0.0005327500000000, -0.0003283300000000, -0.0000567400000000 ] - [ -0.0006594200000000, -0.0012952100000000, -0.0025141500000000 ] - [ -0.0000746600000000, -0.0026984000000000, -0.0031409100000000 ] - [ 0.0139753900000000, 0.0042526800000000, 0.0005232100000000 ] - [ -0.0005195600000000, -0.0011591600000000, 0.0006340800000000 ] - [ -0.0014839900000000, 0.0008779400000000, -0.0017474700000000 ] - [ -0.0019240800000000, -0.0008843700000000, -0.0011270700000000 ] - [ 0.0039917500000000, 0.0019872100000000, -0.0004923300000000 ] - [ 0.0009055100000000, -0.0000340100000000, 0.0009853500000000 ] - [ -0.0002911800000000, 0.0000484300000000, -0.0005334400000000 ] - [ -0.0002023400000000, -0.0001329900000000, -0.0006628900000000 ] - [ -0.0156589200000000, 0.0029679000000000, -0.0030335900000000 ] - [ 0.0004201600000000, -0.0010261000000000, 0.0007296400000000 ] - [ 0.0003680900000000, 0.0002521800000000, -0.0012216500000000 ] - [ 0.0016748300000000, -0.0020415100000000, -0.0006281500000000 ] - [ -0.0123956700000000, -0.0168252400000000, -0.0088906200000000 ] - [ 0.0006211500000000, 0.0016828600000000, 0.0020582100000000 ] - [ 0.0004890800000000, 0.0005480900000000, -0.0015912000000000 ] - [ 0.0007102600000000, -0.0023302200000000, -0.0032030600000000 ] - [ -0.0026404200000000, 0.0015955700000000, -0.0006506900000000 ] - [ -0.0015435000000000, 0.0003246900000000, -0.0002669900000000 ] - [ 0.0027526200000000, -0.0013026700000000, 0.0003307800000000 ] - [ 0.0006567000000000, -0.0000026100000000, -0.0000382700000000 ] - [ -0.0018974500000000, 0.0094883800000000, -0.0200790300000000 ] - [ 0.0009885500000000, -0.0033366600000000, 0.0010250900000000 ] - [ 0.0030711800000000, -0.0001611100000000, -0.0195952600000000 ] - [ 0.0004882500000000, -0.0017091400000000, 0.0010001500000000 ] - [ 0.0067885800000000, -0.0083595400000000, -0.0003455800000000 ] - [ 0.0017107100000000, 0.0055734300000000, -0.0004805900000000 ] - [ -0.0006331300000000, 0.0018054000000000, -0.0021052400000000 ] - [ -0.0017487900000000, 0.0005661500000000, -0.0021374200000000 ] - [ 0.0025108200000000, -0.0235778400000000, -0.0267104900000000 ] - [ 0.0000591500000000, 0.0020055100000000, 0.0021156600000000 ] - [ -0.0008905200000000, 0.0034104100000000, 0.0014820900000000 ] - [ -0.0002243100000000, -0.0146026300000000, -0.0173635800000000 ] - [ 0.0000281900000000, 0.0000254200000000, 0.0001283600000000 ] - [ 0.0002153400000000, 0.0001994900000000, -0.0000591000000000 ] - [ 0.0001252300000000, 0.0005078600000000, -0.0007168900000000 ] - [ -0.0002633100000000, 0.0002606500000000, -0.0006449200000000 ] - [ -0.0003621300000000, -0.0006855600000000, 0.0010322400000000 ] - [ -0.0003176700000000, -0.0006945100000000, 0.0010053400000000 ] - [ -0.0003503000000000, -0.0003903500000000, 0.0004843500000000 ] - [ -0.0003362200000000, -0.0004701200000000, 0.0005376900000000 ] - [ 0.0005928700000000, 0.0004733500000000, 0.0001464000000000 ] - [ 0.0005381400000000, 0.0004149600000000, 0.0001445900000000 ] - [ 0.0002551500000000, 0.0002585900000000, -0.0001875100000000 ] - [ 0.0004281600000000, 0.0002628800000000, -0.0001824100000000 ] - [ -0.0001601700000000, -0.0001177900000000, -0.0000436900000000 ] - [ -0.0000727400000000, -0.0000258300000000, -0.0001278100000000 ] - [ 0.0003124900000000, -0.0005295600000000, -0.0007863100000000 ] - [ 0.0002386600000000, -0.0004092500000000, -0.0005742000000000 ] - [ -0.0002987800000000, -0.0000474600000000, 0.0003073500000000 ] - [ -0.0003692900000000, -0.0001770400000000, 0.0003184900000000 ] - [ -0.0003447900000000, 0.0003898800000000, -0.0004240900000000 ] - [ -0.0003351600000000, 0.0003941200000000, -0.0004358500000000 ] - [ 0.0006255700000000, -0.0001084600000000, 0.0009006800000000 ] - [ 0.0001173900000000, -0.0006768300000000, 0.0008153900000000 ] - [ -0.0006491000000000, 0.0008404700000000, -0.0012999100000000 ] - [ 0.0001063000000000, 0.0000344900000000, -0.0001558800000000 ] - [ -0.0000591200000000, -0.0002838300000000, -0.0000851200000000 ] - [ -0.0000087600000000, -0.0002919400000000, -0.0000640200000000 ] - [ -0.0007960700000000, -0.0001434200000000, -0.0004004000000000 ] - [ -0.0006305400000000, 0.0000055600000000, -0.0001435200000000 ] - [ -0.0000613400000000, 0.0001126000000000, 0.0001197500000000 ] - [ -0.0001060100000000, 0.0000862400000000, 0.0000785200000000 ] - [ -0.0002465500000000, -0.0000538900000000, -0.0001510200000000 ] - [ -0.0002006000000000, -0.0001242600000000, -0.0002249000000000 ] - [ 0.0011704000000000, -0.0003661900000000, -0.0002747500000000 ] - [ 0.0006696300000000, -0.0006055600000000, -0.0002481100000000 ] - [ -0.0008615100000000, 0.0012504500000000, 0.0005746100000000 ] - [ -0.0001491400000000, -0.0000415400000000, 0.0000969200000000 ] - [ 0.0005771600000000, -0.0004365100000000, -0.0000016500000000 ] - [ 0.0005652600000000, -0.0004256100000000, -0.0000159600000000 ] - [ 0.0003413800000000, -0.0002606400000000, -0.0000088800000000 ] - [ 0.0003919100000000, -0.0003170300000000, -0.0000209400000000 ] - [ -0.0001633800000000, -0.0000938000000000, 0.0001025900000000 ] - [ -0.0001267800000000, -0.0000924400000000, 0.0000818700000000 ] - [ -0.0002893100000000, 0.0002541500000000, -0.0003478200000000 ] - [ -0.0001221300000000, 0.0000255300000000, -0.0001419300000000 ] - [ -0.0005085300000000, 0.0006275700000000, 0.0007512300000000 ] - [ -0.0003945600000000, 0.0005522800000000, 0.0007517600000000 ] - [ -0.0002728300000000, 0.0005444200000000, 0.0007334600000000 ] - [ -0.0002208900000000, 0.0005056600000000, 0.0006852000000000 ]- atom: 65 displacement: [ 0.0099999998410115, 0.0000000000000000, -0.0000017831910382 ] forces: - [ 0.0110064300000000, 0.0063585900000000, 0.0082495900000000 ] - [ 0.0032408900000000, -0.0085463500000000, 0.0131331000000000 ] - [ 0.0117188800000000, 0.0054838900000000, -0.0081537800000000 ] - [ 0.0009537100000000, -0.0125094900000000, -0.0116131000000000 ] - [ 0.1416609500000000, 0.0501244500000000, 0.0265711400000000 ] - [ 0.0073741300000000, -0.0019818100000000, 0.0002282100000000 ] - [ 0.0042177200000000, 0.0016362700000000, -0.0009562100000000 ] - [ 0.0050171300000000, -0.0009574600000000, -0.0001840000000000 ] - [ -0.0096393300000000, 0.0018884300000000, 0.0075605100000000 ] - [ -0.0017972400000000, -0.0017543600000000, 0.0020252300000000 ] - [ -0.0019020800000000, 0.0002860600000000, -0.0040433800000000 ] - [ -0.0012335500000000, -0.0011943400000000, -0.0022208500000000 ] - [ -0.0101992300000000, 0.0071665300000000, -0.0023051600000000 ] - [ -0.0074242200000000, -0.0106267200000000, -0.0077138000000000 ] - [ -0.0004766300000000, 0.0020242800000000, 0.0012453000000000 ] - [ -0.0015546700000000, -0.0005367800000000, 0.0013440500000000 ] - [ -0.0044434000000000, 0.0010797700000000, -0.0008055700000000 ] - [ -0.0036496900000000, -0.0005952200000000, -0.0015384800000000 ] - [ -0.0037620900000000, 0.0008506900000000, -0.0004864700000000 ] - [ -0.0033636300000000, 0.0004409000000000, -0.0004333800000000 ] - [ -0.0047226300000000, -0.0004876300000000, -0.0000147700000000 ] - [ -0.0039270200000000, -0.0004211800000000, -0.0007651100000000 ] - [ -0.0035194900000000, -0.0009376800000000, -0.0010516100000000 ] - [ -0.0031663700000000, -0.0000505200000000, -0.0012281300000000 ] - [ -0.0100653100000000, -0.0041045400000000, -0.0035940000000000 ] - [ -0.0029169100000000, 0.0023465100000000, 0.0000382400000000 ] - [ -0.0017586700000000, 0.0000643500000000, 0.0020725200000000 ] - [ -0.0021333500000000, 0.0007440700000000, 0.0005138700000000 ] - [ -0.0084616900000000, 0.0047434700000000, 0.0000299400000000 ] - [ -0.0044924300000000, -0.0028722800000000, 0.0020340400000000 ] - [ -0.0056443500000000, 0.0012409800000000, -0.0036392500000000 ] - [ -0.0017520800000000, -0.0015271200000000, -0.0015976700000000 ] - [ -0.0033453300000000, 0.0002690800000000, -0.0007093100000000 ] - [ -0.0024662800000000, -0.0000149100000000, -0.0000146200000000 ] - [ -0.0019349800000000, -0.0000453300000000, -0.0003669900000000 ] - [ -0.0017160200000000, -0.0001098200000000, -0.0003565500000000 ] - [ -0.0021977400000000, 0.0003487000000000, -0.0000849800000000 ] - [ -0.0026105000000000, -0.0006009000000000, 0.0004348100000000 ] - [ -0.0021294700000000, 0.0002570000000000, -0.0007889400000000 ] - [ -0.0023329100000000, -0.0000057400000000, -0.0009078500000000 ] - [ 0.0121577400000000, 0.0087634400000000, -0.0007259900000000 ] - [ 0.0054243200000000, 0.0003174900000000, 0.0014158500000000 ] - [ 0.0029640000000000, -0.0011178500000000, -0.0010756000000000 ] - [ 0.0027091500000000, 0.0019072100000000, -0.0001081400000000 ] - [ 0.0015745400000000, -0.0007071400000000, -0.0125960100000000 ] - [ 0.0033677000000000, -0.0020591200000000, -0.0010347800000000 ] - [ 0.0042155800000000, 0.0018430300000000, 0.0028114400000000 ] - [ 0.0035108700000000, -0.0026876400000000, 0.0014552600000000 ] - [ 0.0018694300000000, -0.0013247000000000, 0.0001134100000000 ] - [ 0.0011209200000000, 0.0028602400000000, -0.0019934700000000 ] - [ 0.0002969100000000, -0.0002081300000000, 0.0001311700000000 ] - [ 0.0004174700000000, 0.0004331800000000, -0.0003178500000000 ] - [ -0.0021291200000000, -0.0023759700000000, 0.0001502900000000 ] - [ 0.0001294700000000, 0.0213379600000000, -0.0183353000000000 ] - [ -0.0017609500000000, -0.0018718100000000, 0.0020997800000000 ] - [ -0.0014665700000000, -0.0018824400000000, 0.0038383400000000 ] - [ 0.0111317700000000, -0.0057480200000000, -0.0138653300000000 ] - [ 0.0004335000000000, 0.0021872800000000, 0.0001842400000000 ] - [ -0.0006753500000000, -0.0003419600000000, 0.0011267900000000 ] - [ 0.0008939200000000, 0.0022211000000000, 0.0016060100000000 ] - [ 0.0012135500000000, -0.0027624200000000, -0.0034952000000000 ] - [ 0.0005243700000000, -0.0003579400000000, -0.0009647600000000 ] - [ 0.0018093400000000, 0.0005537700000000, 0.0020646800000000 ] - [ 0.0007116600000000, 0.0023334900000000, 0.0023503700000000 ] - [ -0.2055065500000000, -0.0939771900000000, -0.0244300300000000 ] - [ -0.0054446400000000, -0.0006582000000000, -0.0000811800000000 ] - [ -0.0035795300000000, -0.0012545700000000, -0.0004411500000000 ] - [ -0.0043598500000000, -0.0011285900000000, -0.0010613900000000 ] - [ 0.0050004000000000, 0.0014062300000000, 0.0000982600000000 ] - [ 0.0018118900000000, 0.0006476900000000, 0.0001213100000000 ] - [ 0.0020088300000000, 0.0005311800000000, 0.0007871700000000 ] - [ 0.0015780000000000, 0.0004878900000000, 0.0006677700000000 ] - [ -0.0086285800000000, 0.0039890400000000, 0.0009822300000000 ] - [ -0.0066307100000000, 0.0025799100000000, -0.0013562900000000 ] - [ -0.0086060000000000, 0.0005843000000000, -0.0034004900000000 ] - [ -0.0066170500000000, 0.0034675700000000, -0.0007542500000000 ] - [ 0.0287629600000000, 0.0154795000000000, -0.0030588200000000 ] - [ -0.0009536800000000, -0.0015078600000000, -0.0008545800000000 ] - [ -0.0008143500000000, -0.0001843700000000, 0.0003273200000000 ] - [ -0.0011845900000000, -0.0002622700000000, 0.0002353400000000 ] - [ 0.0037085400000000, -0.0015480400000000, 0.0011830100000000 ] - [ 0.0037030000000000, -0.0005565800000000, 0.0013267900000000 ] - [ 0.0014149100000000, -0.0006019100000000, 0.0002146300000000 ] - [ 0.0014162900000000, -0.0003101300000000, 0.0000703200000000 ] - [ 0.0125879500000000, -0.0161887900000000, 0.0155731000000000 ] - [ -0.0004121600000000, 0.0035014200000000, -0.0007666300000000 ] - [ -0.0005597800000000, -0.0003918000000000, -0.0007175600000000 ] - [ 0.0002549100000000, 0.0012516900000000, -0.0019893300000000 ] - [ -0.0010697100000000, 0.0001202100000000, -0.0006172600000000 ] - [ 0.0000669300000000, 0.0014799300000000, -0.0026793400000000 ] - [ -0.0010685100000000, -0.0010979900000000, 0.0015659500000000 ] - [ 0.0013863300000000, -0.0002542600000000, 0.0027310400000000 ] - [ -0.0097122200000000, 0.0203595800000000, 0.0252250100000000 ] - [ -0.0035469800000000, -0.0004223900000000, 0.0006733700000000 ] - [ -0.0021954800000000, -0.0008735800000000, -0.0007786900000000 ] - [ -0.0015543700000000, -0.0000022800000000, -0.0002448400000000 ] - [ 0.0002162000000000, -0.0015442600000000, 0.0007448500000000 ] - [ 0.0030061600000000, 0.0025251800000000, -0.0008287500000000 ] - [ 0.0000035200000000, -0.0006950400000000, 0.0008017000000000 ] - [ 0.0001281800000000, 0.0004430900000000, -0.0004195100000000 ] - [ 0.0007648500000000, -0.0007251800000000, 0.0008384900000000 ] - [ 0.0006345500000000, -0.0003558500000000, 0.0006925800000000 ] - [ 0.0005829500000000, -0.0005974700000000, 0.0008917400000000 ] - [ 0.0004854400000000, -0.0005964900000000, 0.0008646300000000 ] - [ 0.0046932600000000, 0.0024253900000000, 0.0001654800000000 ] - [ 0.0021091000000000, 0.0007948900000000, 0.0000202000000000 ] - [ 0.0018601400000000, 0.0010088000000000, 0.0000469400000000 ] - [ 0.0018613800000000, 0.0008430600000000, 0.0000570300000000 ] - [ -0.0001093600000000, 0.0023445800000000, 0.0025101100000000 ] - [ 0.0020656700000000, -0.0010378600000000, 0.0001361600000000 ] - [ 0.0019109700000000, -0.0001197400000000, -0.0024386900000000 ] - [ 0.0004407600000000, -0.0015685600000000, -0.0016575500000000 ] - [ 0.0023790100000000, 0.0011248200000000, 0.0002356500000000 ] - [ 0.0023776500000000, 0.0012467700000000, 0.0002789000000000 ] - [ 0.0019431200000000, 0.0008089200000000, 0.0005519300000000 ] - [ 0.0019416200000000, 0.0007803200000000, 0.0005256500000000 ] - [ 0.0168514400000000, 0.0060363600000000, 0.0070478800000000 ] - [ -0.0005137500000000, -0.0009526400000000, -0.0000451000000000 ] - [ -0.0013553700000000, -0.0007623700000000, -0.0001333800000000 ] - [ 0.0004024200000000, 0.0001836100000000, 0.0000845500000000 ] - [ 0.0022935600000000, -0.0011311600000000, 0.0003019300000000 ] - [ 0.0019949000000000, -0.0009924300000000, 0.0003119400000000 ] - [ 0.0022898900000000, -0.0009510300000000, 0.0005309400000000 ] - [ 0.0019924800000000, -0.0009644700000000, 0.0003211400000000 ] - [ 0.0026373500000000, 0.0006258900000000, -0.0004827800000000 ] - [ 0.0016705800000000, 0.0008727000000000, -0.0000035000000000 ] - [ 0.0019557600000000, 0.0013776900000000, 0.0007705600000000 ] - [ 0.0011779500000000, 0.0004405300000000, -0.0000060800000000 ] - [ 0.0088932300000000, -0.0036788100000000, -0.0045089700000000 ] - [ 0.0002686800000000, 0.0010667300000000, -0.0007248900000000 ] - [ 0.0045552800000000, 0.0030233300000000, 0.0056632700000000 ] - [ -0.0003888400000000, 0.0004670600000000, 0.0002454700000000 ] - [ 0.0028967300000000, -0.0015906800000000, -0.0001966400000000 ] - [ 0.0022385800000000, -0.0008305500000000, -0.0002675300000000 ] - [ 0.0030062600000000, -0.0014720800000000, 0.0005409000000000 ] - [ 0.0018183800000000, -0.0007729500000000, 0.0003406000000000 ] - [ 0.0024790200000000, -0.0017331600000000, 0.0010024100000000 ] - [ 0.0012180200000000, -0.0005678000000000, 0.0002421300000000 ] - [ 0.0021337400000000, -0.0003105500000000, -0.0010382500000000 ] - [ 0.0016258000000000, -0.0002554600000000, -0.0005532300000000 ] - [ 0.0007381100000000, 0.0003223300000000, 0.0005035400000000 ] - [ 0.0005517300000000, 0.0005003100000000, 0.0007033900000000 ] - [ 0.0006285500000000, 0.0007258300000000, 0.0010286000000000 ] - [ 0.0004933700000000, 0.0007661900000000, 0.0010109600000000 ]- atom: 65 displacement: [ -0.0099999998410115, 0.0000000000000000, 0.0000017831910382 ] forces: - [ -0.0104213400000000, -0.0054709900000000, -0.0088110700000000 ] - [ -0.0025302600000000, 0.0094464300000000, -0.0137796700000000 ] - [ -0.0111367000000000, -0.0046086700000000, 0.0075679300000000 ] - [ -0.0002136500000000, 0.0134628300000000, 0.0110511200000000 ] - [ -0.1490896100000000, -0.0555872600000000, -0.0293726000000000 ] - [ -0.0066864400000000, 0.0011599800000000, -0.0008990000000000 ] - [ -0.0035063500000000, -0.0025360600000000, 0.0003430400000000 ] - [ -0.0043081300000000, 0.0000934500000000, -0.0004352800000000 ] - [ 0.0089120300000000, -0.0021601400000000, -0.0076979200000000 ] - [ 0.0010207100000000, 0.0015251700000000, -0.0021106700000000 ] - [ 0.0011429300000000, -0.0005291000000000, 0.0040028000000000 ] - [ 0.0004695700000000, 0.0009604500000000, 0.0021680100000000 ] - [ 0.0095067600000000, -0.0069806400000000, 0.0022435300000000 ] - [ 0.0067146300000000, 0.0109646100000000, 0.0077080600000000 ] - [ -0.0002951400000000, -0.0017939100000000, -0.0013166600000000 ] - [ 0.0007900100000000, 0.0007809000000000, -0.0014173700000000 ] - [ 0.0051965800000000, -0.0001973100000000, 0.0001775500000000 ] - [ 0.0044012700000000, 0.0014702400000000, 0.0009108200000000 ] - [ 0.0045144900000000, 0.0000302100000000, -0.0001328900000000 ] - [ 0.0041197900000000, 0.0004389400000000, -0.0001884300000000 ] - [ 0.0054722100000000, -0.0003939700000000, -0.0006068800000000 ] - [ 0.0046822300000000, -0.0004562000000000, 0.0001405000000000 ] - [ 0.0042736300000000, 0.0000592300000000, 0.0004274000000000 ] - [ 0.0039223900000000, -0.0008337200000000, 0.0006070500000000 ] - [ 0.0092878500000000, 0.0038281700000000, 0.0035298600000000 ] - [ 0.0021811300000000, -0.0025912700000000, -0.0001156100000000 ] - [ 0.0010179800000000, -0.0003112500000000, -0.0021349800000000 ] - [ 0.0013890100000000, -0.0009858600000000, -0.0005764300000000 ] - [ 0.0077004600000000, -0.0044893200000000, -0.0000938800000000 ] - [ 0.0037575100000000, 0.0031240300000000, -0.0021053400000000 ] - [ 0.0049329800000000, -0.0010026800000000, 0.0035886400000000 ] - [ 0.0010061900000000, 0.0017605400000000, 0.0015277800000000 ] - [ 0.0035529900000000, -0.0002737500000000, 0.0007163700000000 ] - [ 0.0026644900000000, 0.0000112000000000, 0.0000194500000000 ] - [ 0.0021309300000000, 0.0000412900000000, 0.0003729300000000 ] - [ 0.0019118200000000, 0.0001114000000000, 0.0003604800000000 ] - [ 0.0023941600000000, -0.0003456900000000, 0.0000867700000000 ] - [ 0.0028114300000000, 0.0006082700000000, -0.0004348000000000 ] - [ 0.0023283100000000, -0.0002573500000000, 0.0007983700000000 ] - [ 0.0025340200000000, 0.0000119200000000, 0.0009190600000000 ] - [ -0.0112875800000000, -0.0079015900000000, 0.0002691400000000 ] - [ -0.0052453100000000, -0.0003288400000000, -0.0014269000000000 ] - [ -0.0027656600000000, 0.0011221000000000, 0.0011041400000000 ] - [ -0.0025225700000000, -0.0019132300000000, 0.0001094300000000 ] - [ -0.0010820900000000, 0.0006612500000000, 0.0128936900000000 ] - [ -0.0031740900000000, 0.0020716100000000, 0.0010429700000000 ] - [ -0.0040089500000000, -0.0018641200000000, -0.0028178000000000 ] - [ -0.0033315500000000, 0.0027004100000000, -0.0014417300000000 ] - [ -0.0017190800000000, 0.0018522100000000, -0.0008178400000000 ] - [ -0.0009701300000000, -0.0023668600000000, 0.0013074500000000 ] - [ -0.0001392200000000, 0.0007302800000000, -0.0008414500000000 ] - [ -0.0002617200000000, 0.0000846900000000, -0.0003905700000000 ] - [ 0.0015070500000000, 0.0011896300000000, 0.0013382200000000 ] - [ -0.0006581000000000, -0.0225393000000000, 0.0199493900000000 ] - [ 0.0011062900000000, 0.0007500100000000, -0.0005945500000000 ] - [ 0.0008033100000000, 0.0007736400000000, -0.0023623600000000 ] - [ -0.0102161300000000, 0.0065623500000000, 0.0140011900000000 ] - [ 0.0005768100000000, -0.0014565100000000, -0.0002028800000000 ] - [ 0.0016839500000000, 0.0010921300000000, -0.0011506600000000 ] - [ 0.0001063400000000, -0.0014901400000000, -0.0016318400000000 ] - [ -0.0010595900000000, 0.0022607000000000, 0.0028088700000000 ] - [ -0.0003693300000000, -0.0001590000000000, 0.0002640000000000 ] - [ -0.0016642600000000, -0.0010783100000000, -0.0027876800000000 ] - [ -0.0005603700000000, -0.0028729200000000, -0.0030773000000000 ] - [ 0.2119539600000000, 0.0980545800000000, 0.0264911700000000 ] - [ 0.0048145000000000, 0.0009639900000000, -0.0001084400000000 ] - [ 0.0029587800000000, 0.0015791400000000, 0.0002492200000000 ] - [ 0.0037409200000000, 0.0014428900000000, 0.0008723200000000 ] - [ -0.0047882800000000, -0.0015190300000000, 0.0001171200000000 ] - [ -0.0015659800000000, -0.0007510900000000, 0.0000965700000000 ] - [ -0.0017764500000000, -0.0006397400000000, -0.0005784100000000 ] - [ -0.0013355500000000, -0.0005929900000000, -0.0004559200000000 ] - [ 0.0079900500000000, -0.0043345000000000, -0.0012736800000000 ] - [ 0.0060087100000000, -0.0028891300000000, 0.0011645600000000 ] - [ 0.0080149300000000, -0.0009449300000000, 0.0033402400000000 ] - [ 0.0060216300000000, -0.0038035500000000, 0.0005666200000000 ] - [ -0.0294338600000000, -0.0156416500000000, 0.0030120500000000 ] - [ 0.0007071100000000, 0.0015362000000000, 0.0007542100000000 ] - [ 0.0005583200000000, 0.0002001400000000, -0.0004429300000000 ] - [ 0.0009313100000000, 0.0002772900000000, -0.0003490800000000 ] - [ -0.0034811000000000, 0.0016589500000000, -0.0009764200000000 ] - [ -0.0034886700000000, 0.0006663200000000, -0.0011243000000000 ] - [ -0.0011731600000000, 0.0007100600000000, -0.0000008100000000 ] - [ -0.0011719700000000, 0.0004125400000000, 0.0001440500000000 ] - [ -0.0117248400000000, 0.0156662800000000, -0.0157806900000000 ] - [ 0.0014284700000000, -0.0042788700000000, 0.0007625600000000 ] - [ 0.0015716600000000, -0.0003498100000000, 0.0007000300000000 ] - [ 0.0007488400000000, -0.0020016500000000, 0.0019794300000000 ] - [ 0.0008219300000000, -0.0001356200000000, 0.0005063200000000 ] - [ -0.0003185300000000, -0.0015062700000000, 0.0025822000000000 ] - [ 0.0008185300000000, 0.0010886000000000, -0.0016895600000000 ] - [ -0.0016499400000000, 0.0002455300000000, -0.0028600700000000 ] - [ 0.0092999700000000, -0.0193568300000000, -0.0239419600000000 ] - [ 0.0028969600000000, 0.0015458100000000, 0.0008291600000000 ] - [ 0.0015379700000000, 0.0019935200000000, 0.0022746000000000 ] - [ 0.0008970100000000, 0.0011165600000000, 0.0017401700000000 ] - [ -0.0000715100000000, 0.0020520800000000, -0.0014349600000000 ] - [ -0.0028685500000000, -0.0019985600000000, 0.0001053300000000 ] - [ 0.0001496700000000, 0.0012174700000000, -0.0015129700000000 ] - [ 0.0000258800000000, 0.0000747800000000, -0.0002879400000000 ] - [ -0.0014335000000000, -0.0003936500000000, 0.0006608800000000 ] - [ -0.0013039700000000, -0.0007619800000000, 0.0008069300000000 ] - [ -0.0012516700000000, -0.0005178600000000, 0.0006038100000000 ] - [ -0.0011532500000000, -0.0005205400000000, 0.0006311900000000 ] - [ -0.0036838900000000, -0.0016725700000000, -0.0001817800000000 ] - [ -0.0011216200000000, -0.0000545400000000, -0.0000329800000000 ] - [ -0.0008710200000000, -0.0002695100000000, -0.0000616600000000 ] - [ -0.0008724300000000, -0.0001032500000000, -0.0000729600000000 ] - [ 0.0002622100000000, -0.0028514400000000, -0.0032036000000000 ] - [ -0.0019300400000000, 0.0005281000000000, -0.0008432600000000 ] - [ -0.0017593800000000, -0.0004003200000000, 0.0017370800000000 ] - [ -0.0002900400000000, 0.0010479700000000, 0.0009516200000000 ] - [ -0.0030188100000000, -0.0008159200000000, -0.0004283300000000 ] - [ -0.0030201500000000, -0.0009390200000000, -0.0004707900000000 ] - [ -0.0025871900000000, -0.0005005900000000, -0.0007462500000000 ] - [ -0.0025862000000000, -0.0004716400000000, -0.0007210700000000 ] - [ -0.0162744500000000, -0.0060306100000000, -0.0066608200000000 ] - [ 0.0007443300000000, 0.0008480500000000, 0.0002574700000000 ] - [ 0.0015891600000000, 0.0006590600000000, 0.0003384300000000 ] - [ -0.0001684900000000, -0.0002922600000000, 0.0001260100000000 ] - [ -0.0029346400000000, 0.0008218600000000, -0.0004939400000000 ] - [ -0.0026364900000000, 0.0006847700000000, -0.0005042700000000 ] - [ -0.0029355600000000, 0.0006443300000000, -0.0007265400000000 ] - [ -0.0026400700000000, 0.0006572800000000, -0.0005166700000000 ] - [ -0.0029004200000000, -0.0006139000000000, 0.0003667700000000 ] - [ -0.0019441200000000, -0.0008652100000000, -0.0001082700000000 ] - [ -0.0022294600000000, -0.0013723300000000, -0.0008852200000000 ] - [ -0.0014476600000000, -0.0004283900000000, -0.0001057600000000 ] - [ -0.0085608400000000, 0.0038167300000000, 0.0046547500000000 ] - [ -0.0000304900000000, -0.0009602200000000, 0.0009374700000000 ] - [ -0.0043450100000000, -0.0029389800000000, -0.0054902400000000 ] - [ 0.0006150200000000, -0.0003547700000000, -0.0000393200000000 ] - [ -0.0019036200000000, 0.0008502000000000, 0.0001805500000000 ] - [ -0.0012515800000000, 0.0000921300000000, 0.0002520600000000 ] - [ -0.0020250100000000, 0.0007354000000000, -0.0005565400000000 ] - [ -0.0008255800000000, 0.0000311300000000, -0.0003532500000000 ] - [ -0.0027506500000000, 0.0017204500000000, -0.0011091600000000 ] - [ -0.0014902700000000, 0.0005639500000000, -0.0003570600000000 ] - [ -0.0023986100000000, 0.0003032100000000, 0.0009206700000000 ] - [ -0.0018974300000000, 0.0002439700000000, 0.0004436900000000 ] - [ -0.0014062800000000, 0.0007955300000000, 0.0009929400000000 ] - [ -0.0012215200000000, 0.0006169700000000, 0.0007943400000000 ] - [ -0.0012982600000000, 0.0003923700000000, 0.0004717300000000 ] - [ -0.0011606600000000, 0.0003532400000000, 0.0004885400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0075046000000000, 0.0025643600000000, -0.0041673800000000 ] - [ -0.0018859000000000, -0.0086173100000000, 0.0106691100000000 ] - [ 0.0073059000000000, 0.0008753700000000, 0.0007677000000000 ] - [ -0.0007017200000000, -0.0078439100000000, -0.0069018400000000 ] - [ 0.0621890200000000, 0.0426126300000000, 0.0142348200000000 ] - [ 0.0048639400000000, -0.0071569100000000, 0.0008490900000000 ] - [ 0.0009517500000000, 0.0027560000000000, 0.0008921700000000 ] - [ 0.0026521800000000, -0.0028327900000000, 0.0003626400000000 ] - [ -0.0033731500000000, 0.0031354600000000, 0.0035094600000000 ] - [ -0.0008699500000000, -0.0019787400000000, 0.0005224100000000 ] - [ -0.0009894700000000, 0.0014834400000000, -0.0011972100000000 ] - [ -0.0005638500000000, -0.0016191800000000, -0.0006016200000000 ] - [ -0.0012056700000000, 0.0019212800000000, -0.0007300100000000 ] - [ -0.0039835900000000, -0.0052233500000000, -0.0037354100000000 ] - [ -0.0002169400000000, 0.0008274000000000, 0.0003835400000000 ] - [ -0.0014233100000000, -0.0003184700000000, 0.0007811100000000 ] - [ -0.0009211900000000, 0.0011147900000000, -0.0009080400000000 ] - [ -0.0009675800000000, -0.0003808100000000, -0.0010853000000000 ] - [ -0.0012766700000000, 0.0007164600000000, -0.0000093800000000 ] - [ -0.0012710200000000, 0.0002311700000000, -0.0001138300000000 ] - [ -0.0020326400000000, -0.0002501900000000, -0.0003729600000000 ] - [ -0.0012346900000000, -0.0005116500000000, -0.0008610800000000 ] - [ -0.0004588300000000, -0.0001754600000000, -0.0002944500000000 ] - [ -0.0005143600000000, -0.0008958100000000, -0.0001488000000000 ] - [ -0.0043387900000000, 0.0003383300000000, -0.0036765000000000 ] - [ 0.0005679200000000, -0.0005384000000000, -0.0016150300000000 ] - [ -0.0017336900000000, 0.0013505300000000, 0.0031512200000000 ] - [ -0.0007703200000000, -0.0005831000000000, 0.0014436800000000 ] - [ -0.0042647100000000, 0.0038156300000000, -0.0009197600000000 ] - [ -0.0035026300000000, -0.0039261100000000, 0.0014808300000000 ] - [ 0.0020854800000000, 0.0004553400000000, 0.0007870500000000 ] - [ -0.0009105500000000, -0.0012003100000000, -0.0002847600000000 ] - [ -0.0011863000000000, 0.0002344600000000, -0.0002108100000000 ] - [ -0.0008104200000000, -0.0001985200000000, -0.0000977600000000 ] - [ -0.0005670100000000, 0.0000837300000000, -0.0000705600000000 ] - [ -0.0005240400000000, -0.0000928900000000, -0.0001350100000000 ] - [ -0.0007121200000000, 0.0001252900000000, -0.0000704600000000 ] - [ -0.0009013500000000, -0.0002213200000000, 0.0000524700000000 ] - [ -0.0005779100000000, 0.0000452000000000, -0.0000893200000000 ] - [ -0.0008328600000000, 0.0000336000000000, -0.0003334200000000 ] - [ 0.0109264400000000, 0.0292961500000000, -0.0088399600000000 ] - [ 0.0031749000000000, -0.0035679800000000, 0.0004683700000000 ] - [ -0.0002816300000000, 0.0009392500000000, -0.0000001000000000 ] - [ 0.0013986200000000, -0.0011710200000000, 0.0013321500000000 ] - [ -0.0002073600000000, 0.0135735500000000, -0.0053245500000000 ] - [ 0.0012366500000000, -0.0034119300000000, -0.0017260800000000 ] - [ 0.0014191200000000, 0.0027761300000000, 0.0015838800000000 ] - [ 0.0019486600000000, -0.0036616800000000, 0.0016196600000000 ] - [ 0.0005206400000000, -0.0007757400000000, 0.0001911600000000 ] - [ 0.0006194200000000, 0.0018026200000000, -0.0011848900000000 ] - [ 0.0000972600000000, -0.0000082100000000, -0.0001714500000000 ] - [ 0.0002900200000000, 0.0005959400000000, -0.0005981400000000 ] - [ -0.0045418700000000, 0.0052979900000000, 0.0029990100000000 ] - [ 0.0092262700000000, 0.0202012400000000, -0.0154129200000000 ] - [ -0.0008259700000000, 0.0002479700000000, -0.0002743100000000 ] - [ -0.0006609700000000, -0.0014853600000000, 0.0022602100000000 ] - [ -0.0008120000000000, -0.0051736700000000, -0.0041332300000000 ] - [ 0.0007337800000000, 0.0036936300000000, 0.0013070600000000 ] - [ -0.0003504100000000, -0.0010594000000000, -0.0007483600000000 ] - [ 0.0011367200000000, 0.0020056400000000, 0.0010536800000000 ] - [ 0.0003922100000000, -0.0014048100000000, -0.0015907100000000 ] - [ 0.0002999200000000, -0.0000472400000000, -0.0004125500000000 ] - [ 0.0001883400000000, -0.0006275000000000, -0.0003300600000000 ] - [ 0.0003801300000000, 0.0013028000000000, 0.0010926900000000 ] - [ -0.0959732100000000, -0.1030181800000000, 0.0007512200000000 ] - [ -0.0011333000000000, 0.0024178300000000, -0.0000710300000000 ] - [ -0.0017401800000000, -0.0009539200000000, -0.0005783400000000 ] - [ -0.0016069400000000, 0.0011985400000000, -0.0015244800000000 ] - [ 0.0015936200000000, 0.0001562700000000, -0.0000801400000000 ] - [ 0.0008247500000000, 0.0003443300000000, 0.0001719600000000 ] - [ 0.0007068300000000, 0.0000009100000000, 0.0002915900000000 ] - [ 0.0006654700000000, 0.0002677300000000, 0.0002888500000000 ] - [ -0.0010888300000000, -0.0006426200000000, 0.0050554000000000 ] - [ -0.0039464200000000, 0.0032544600000000, -0.0010034300000000 ] - [ -0.0044942100000000, -0.0006449000000000, -0.0056127600000000 ] - [ -0.0030512900000000, 0.0032526600000000, 0.0009056700000000 ] - [ 0.0132958200000000, 0.0091914000000000, -0.0017057300000000 ] - [ -0.0009530900000000, 0.0000362200000000, -0.0000991300000000 ] - [ -0.0001646300000000, -0.0002906600000000, -0.0001603900000000 ] - [ -0.0006617100000000, 0.0001391100000000, 0.0000096300000000 ] - [ 0.0007376300000000, -0.0003149000000000, 0.0002441800000000 ] - [ 0.0017309900000000, -0.0003116300000000, 0.0005828500000000 ] - [ 0.0004846700000000, -0.0001338200000000, 0.0001451000000000 ] - [ 0.0007796400000000, -0.0001348300000000, 0.0001060400000000 ] - [ -0.0021945700000000, -0.0088771400000000, 0.0030615400000000 ] - [ -0.0001309300000000, 0.0024441800000000, -0.0008981500000000 ] - [ 0.0000010400000000, -0.0009598500000000, 0.0003847100000000 ] - [ 0.0008887400000000, 0.0011399500000000, -0.0018676800000000 ] - [ -0.0008643600000000, 0.0002511600000000, -0.0001307000000000 ] - [ 0.0011035100000000, -0.0000608500000000, -0.0013836700000000 ] - [ -0.0013849700000000, 0.0003059200000000, 0.0001788300000000 ] - [ 0.0014433200000000, -0.0003954900000000, 0.0015312200000000 ] - [ 0.0010218700000000, 0.0143197800000000, 0.0163477900000000 ] - [ -0.0021393600000000, 0.0009235800000000, 0.0007243900000000 ] - [ -0.0000293300000000, -0.0012361700000000, -0.0018505500000000 ] - [ -0.0008848800000000, 0.0011559700000000, 0.0012172600000000 ] - [ -0.0003949100000000, -0.0011536900000000, 0.0011373000000000 ] - [ 0.0037149400000000, 0.0017586500000000, 0.0005462100000000 ] - [ 0.0000692900000000, 0.0008046400000000, -0.0011472800000000 ] - [ 0.0002906500000000, 0.0005214400000000, -0.0008662200000000 ] - [ 0.0000650100000000, -0.0008878800000000, 0.0010907700000000 ] - [ 0.0000128700000000, -0.0004758400000000, 0.0008047700000000 ] - [ -0.0000904200000000, -0.0005065800000000, 0.0005913700000000 ] - [ -0.0000231800000000, -0.0003371800000000, 0.0005190900000000 ] - [ 0.0024753600000000, 0.0011894300000000, 0.0003855600000000 ] - [ 0.0006560100000000, 0.0004731500000000, 0.0002007200000000 ] - [ 0.0012043800000000, 0.0005320400000000, -0.0002261700000000 ] - [ 0.0008805600000000, 0.0005359700000000, -0.0002302200000000 ] - [ -0.0000616600000000, 0.0008794200000000, 0.0012141500000000 ] - [ -0.0010182300000000, 0.0000960200000000, -0.0002779000000000 ] - [ 0.0024649600000000, -0.0001588000000000, -0.0028108800000000 ] - [ 0.0002681300000000, -0.0013794300000000, -0.0013189700000000 ] - [ 0.0007781000000000, 0.0005354900000000, 0.0000760300000000 ] - [ 0.0006572500000000, 0.0005365600000000, 0.0000915400000000 ] - [ 0.0003110300000000, 0.0003588200000000, 0.0000029000000000 ] - [ 0.0003385100000000, 0.0003580500000000, 0.0000661200000000 ] - [ 0.0061514800000000, -0.0000575600000000, 0.0033991700000000 ] - [ -0.0007811700000000, 0.0008294900000000, -0.0004691500000000 ] - [ -0.0005929500000000, -0.0008423200000000, -0.0004990300000000 ] - [ 0.0003592100000000, 0.0013493100000000, -0.0009599200000000 ] - [ 0.0004847400000000, -0.0004988300000000, 0.0000667100000000 ] - [ 0.0004953700000000, -0.0004046300000000, 0.0000762900000000 ] - [ 0.0006608300000000, -0.0004966900000000, 0.0000892800000000 ] - [ 0.0005222500000000, -0.0004044000000000, 0.0000497500000000 ] - [ 0.0011873600000000, 0.0002454500000000, 0.0000384600000000 ] - [ 0.0005226800000000, 0.0009861900000000, 0.0005839200000000 ] - [ -0.0001103300000000, -0.0006830700000000, -0.0009449900000000 ] - [ 0.0003773100000000, 0.0003396100000000, -0.0001295800000000 ] - [ 0.0038822000000000, -0.0072812600000000, -0.0012599600000000 ] - [ -0.0008903700000000, 0.0033537300000000, 0.0002258900000000 ] - [ -0.0028475900000000, -0.0020834900000000, -0.0030180700000000 ] - [ -0.0002929500000000, 0.0010193600000000, 0.0005092700000000 ] - [ 0.0016534800000000, -0.0011330500000000, -0.0001009500000000 ] - [ 0.0014674000000000, -0.0005112900000000, -0.0001155300000000 ] - [ 0.0001460000000000, -0.0004083700000000, -0.0000064300000000 ] - [ 0.0009592500000000, -0.0005037600000000, 0.0001662500000000 ] - [ 0.0007460900000000, -0.0013938400000000, 0.0011647500000000 ] - [ 0.0000448300000000, 0.0003327500000000, -0.0001487500000000 ] - [ 0.0008365300000000, -0.0003440400000000, -0.0004455000000000 ] - [ 0.0007024800000000, 0.0003259100000000, -0.0006907700000000 ] - [ 0.0001167100000000, 0.0003829100000000, 0.0005708000000000 ] - [ 0.0000144500000000, 0.0006148200000000, 0.0007993400000000 ] - [ -0.0000527000000000, 0.0004848000000000, 0.0008059700000000 ] - [ -0.0001033900000000, 0.0007833300000000, 0.0009447000000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0067393600000000, -0.0016066000000000, 0.0035431400000000 ] - [ 0.0026371900000000, 0.0095225400000000, -0.0113399400000000 ] - [ -0.0065459900000000, 0.0000269700000000, -0.0014030600000000 ] - [ 0.0014353500000000, 0.0086935400000000, 0.0062424700000000 ] - [ -0.0630745800000000, -0.0434237200000000, -0.0153099800000000 ] - [ -0.0041038600000000, 0.0062505600000000, -0.0014457400000000 ] - [ -0.0002026400000000, -0.0036330600000000, -0.0015213800000000 ] - [ -0.0019030000000000, 0.0019617700000000, -0.0009908300000000 ] - [ 0.0025721300000000, -0.0033721400000000, -0.0035317600000000 ] - [ 0.0001212000000000, 0.0017378000000000, -0.0005818900000000 ] - [ 0.0002305900000000, -0.0017223600000000, 0.0011209200000000 ] - [ -0.0001952500000000, 0.0013734300000000, 0.0005245500000000 ] - [ 0.0004351700000000, -0.0016596100000000, 0.0006523100000000 ] - [ 0.0031978200000000, 0.0054015700000000, 0.0036224400000000 ] - [ -0.0005413000000000, -0.0005751300000000, -0.0004423700000000 ] - [ 0.0006686000000000, 0.0005550100000000, -0.0008492600000000 ] - [ 0.0016491500000000, -0.0002332800000000, 0.0002821800000000 ] - [ 0.0016983000000000, 0.0012611800000000, 0.0004594000000000 ] - [ 0.0020039300000000, 0.0001651700000000, -0.0006167200000000 ] - [ 0.0020000200000000, 0.0006478800000000, -0.0005118600000000 ] - [ 0.0027584200000000, -0.0006300100000000, -0.0002556100000000 ] - [ 0.0019612800000000, -0.0003687400000000, 0.0002326700000000 ] - [ 0.0011858300000000, -0.0007053600000000, -0.0003311900000000 ] - [ 0.0012443200000000, 0.0000163300000000, -0.0004775300000000 ] - [ 0.0035814000000000, -0.0005658200000000, 0.0035972800000000 ] - [ -0.0013279600000000, 0.0003000900000000, 0.0015488900000000 ] - [ 0.0009684300000000, -0.0015854400000000, -0.0032048000000000 ] - [ 0.0000047800000000, 0.0003453100000000, -0.0015062700000000 ] - [ 0.0034918000000000, -0.0035610000000000, 0.0008467400000000 ] - [ 0.0027250100000000, 0.0041552400000000, -0.0015526100000000 ] - [ -0.0028605800000000, -0.0002074200000000, -0.0008570900000000 ] - [ 0.0001481600000000, 0.0014402900000000, 0.0002210200000000 ] - [ 0.0013645700000000, -0.0002320800000000, 0.0002115400000000 ] - [ 0.0009932600000000, 0.0001955300000000, 0.0001022200000000 ] - [ 0.0007518800000000, -0.0000886100000000, 0.0000747000000000 ] - [ 0.0007104900000000, 0.0000938100000000, 0.0001378800000000 ] - [ 0.0008964100000000, -0.0001198400000000, 0.0000731600000000 ] - [ 0.0010841700000000, 0.0002200800000000, -0.0000451200000000 ] - [ 0.0007629700000000, -0.0000436400000000, 0.0000921300000000 ] - [ 0.0010164700000000, -0.0000286200000000, 0.0003330100000000 ] - [ -0.0098024100000000, -0.0283054800000000, 0.0081361800000000 ] - [ -0.0029754100000000, 0.0035475200000000, -0.0004714700000000 ] - [ 0.0004848000000000, -0.0009428400000000, 0.0000125600000000 ] - [ -0.0012052900000000, 0.0011688700000000, -0.0013315400000000 ] - [ 0.0005224200000000, -0.0136078700000000, 0.0054893300000000 ] - [ -0.0010434700000000, 0.0034114600000000, 0.0017271800000000 ] - [ -0.0012116400000000, -0.0027642100000000, -0.0015850700000000 ] - [ -0.0017540000000000, 0.0036443400000000, -0.0015943700000000 ] - [ -0.0003592200000000, 0.0012825300000000, -0.0008905500000000 ] - [ -0.0004632600000000, -0.0012711400000000, 0.0004709900000000 ] - [ 0.0000590700000000, 0.0005260800000000, -0.0005343800000000 ] - [ -0.0001354500000000, -0.0000790900000000, -0.0001056400000000 ] - [ 0.0038051300000000, -0.0063340100000000, -0.0014592500000000 ] - [ -0.0101242400000000, -0.0215818400000000, 0.0170746600000000 ] - [ 0.0001601200000000, -0.0013688500000000, 0.0017786000000000 ] - [ -0.0000089800000000, 0.0003627800000000, -0.0007479700000000 ] - [ 0.0018950900000000, 0.0059029800000000, 0.0040593900000000 ] - [ 0.0002472400000000, -0.0029584100000000, -0.0013240700000000 ] - [ 0.0013405900000000, 0.0017986100000000, 0.0007342900000000 ] - [ -0.0001406200000000, -0.0012577200000000, -0.0010617100000000 ] - [ -0.0002291300000000, 0.0008733100000000, 0.0008666800000000 ] - [ -0.0001466800000000, -0.0004696800000000, -0.0002936200000000 ] - [ -0.0000299900000000, 0.0001108300000000, -0.0003695000000000 ] - [ -0.0002232000000000, -0.0018074100000000, -0.0017827400000000 ] - [ 0.0959951900000000, 0.1024779300000000, 0.0000009200000000 ] - [ 0.0004897500000000, -0.0021058100000000, -0.0001256500000000 ] - [ 0.0010944700000000, 0.0012615200000000, 0.0003827600000000 ] - [ 0.0009662500000000, -0.0008879700000000, 0.0013314300000000 ] - [ -0.0013317900000000, -0.0002564400000000, 0.0002900200000000 ] - [ -0.0005748000000000, -0.0004452200000000, 0.0000432700000000 ] - [ -0.0004646500000000, -0.0001060400000000, -0.0000775900000000 ] - [ -0.0004158100000000, -0.0003689700000000, -0.0000734200000000 ] - [ 0.0004382300000000, 0.0003125700000000, -0.0052696600000000 ] - [ 0.0033258500000000, -0.0035618300000000, 0.0008093700000000 ] - [ 0.0038322300000000, 0.0003100900000000, 0.0053996100000000 ] - [ 0.0024184000000000, -0.0035638600000000, -0.0010956400000000 ] - [ -0.0133990100000000, -0.0091437700000000, 0.0016041500000000 ] - [ 0.0006836800000000, -0.0000277300000000, -0.0000161200000000 ] - [ -0.0001009700000000, 0.0003049900000000, 0.0000504600000000 ] - [ 0.0003927000000000, -0.0001284700000000, -0.0001199900000000 ] - [ -0.0004848400000000, 0.0004145100000000, -0.0000283000000000 ] - [ -0.0014774500000000, 0.0004181700000000, -0.0003635500000000 ] - [ -0.0002377800000000, 0.0002378400000000, 0.0000685800000000 ] - [ -0.0005330800000000, 0.0002373500000000, 0.0001059000000000 ] - [ 0.0032106700000000, 0.0081353700000000, -0.0030694100000000 ] - [ 0.0011214000000000, -0.0031610200000000, 0.0008756900000000 ] - [ 0.0009932500000000, 0.0002164700000000, -0.0004033500000000 ] - [ 0.0000951900000000, -0.0018847200000000, 0.0018596900000000 ] - [ 0.0005987700000000, -0.0002691200000000, 0.0000199800000000 ] - [ -0.0013821300000000, 0.0000633100000000, 0.0012671500000000 ] - [ 0.0011173300000000, -0.0003225100000000, -0.0002860400000000 ] - [ -0.0017104600000000, 0.0003843900000000, -0.0016335500000000 ] - [ -0.0017745700000000, -0.0131964800000000, -0.0148530400000000 ] - [ 0.0014737500000000, 0.0001936600000000, 0.0007700100000000 ] - [ -0.0006352300000000, 0.0023629200000000, 0.0033495200000000 ] - [ 0.0002161700000000, -0.0000469200000000, 0.0002761100000000 ] - [ 0.0005457100000000, 0.0016663500000000, -0.0018366900000000 ] - [ -0.0035488400000000, -0.0012384200000000, -0.0012432900000000 ] - [ 0.0000865900000000, -0.0002879900000000, 0.0004431200000000 ] - [ -0.0001324600000000, 0.0000005100000000, 0.0001537100000000 ] - [ -0.0007282500000000, -0.0002298600000000, 0.0004076300000000 ] - [ -0.0006767500000000, -0.0006422300000000, 0.0006948200000000 ] - [ -0.0005732700000000, -0.0006102200000000, 0.0009071600000000 ] - [ -0.0006389100000000, -0.0007795000000000, 0.0009775900000000 ] - [ -0.0014756300000000, -0.0004462300000000, -0.0003953100000000 ] - [ 0.0003433900000000, 0.0002722500000000, -0.0002146300000000 ] - [ -0.0002018500000000, 0.0002131400000000, 0.0002114700000000 ] - [ 0.0001207400000000, 0.0002096900000000, 0.0002156300000000 ] - [ 0.0002189000000000, -0.0013974600000000, -0.0019212200000000 ] - [ 0.0011749000000000, -0.0006149000000000, -0.0004290000000000 ] - [ -0.0022882300000000, -0.0003587600000000, 0.0020887700000000 ] - [ -0.0001108600000000, 0.0008558900000000, 0.0006079300000000 ] - [ -0.0014066100000000, -0.0002219500000000, -0.0002666200000000 ] - [ -0.0012826800000000, -0.0002207700000000, -0.0002818900000000 ] - [ -0.0009418300000000, -0.0000463000000000, -0.0001935300000000 ] - [ -0.0009686100000000, -0.0000462600000000, -0.0002563700000000 ] - [ -0.0059164700000000, -0.0000875800000000, -0.0031807200000000 ] - [ 0.0010200400000000, -0.0009301900000000, 0.0006798600000000 ] - [ 0.0008280300000000, 0.0007334700000000, 0.0007099100000000 ] - [ -0.0001173300000000, -0.0014524300000000, 0.0011709800000000 ] - [ -0.0011120400000000, 0.0001848600000000, -0.0002582900000000 ] - [ -0.0011254900000000, 0.0000922500000000, -0.0002681000000000 ] - [ -0.0012907400000000, 0.0001861100000000, -0.0002799800000000 ] - [ -0.0011554400000000, 0.0000928700000000, -0.0002421100000000 ] - [ -0.0014441700000000, -0.0002257600000000, -0.0001440000000000 ] - [ -0.0007814600000000, -0.0009693000000000, -0.0006938000000000 ] - [ -0.0001452900000000, 0.0006990600000000, 0.0008349300000000 ] - [ -0.0006368400000000, -0.0003253500000000, 0.0000167200000000 ] - [ -0.0036126300000000, 0.0073291300000000, 0.0014656800000000 ] - [ 0.0011352700000000, -0.0032356200000000, -0.0000148200000000 ] - [ 0.0031155000000000, 0.0021960500000000, 0.0032541200000000 ] - [ 0.0005271900000000, -0.0009086200000000, -0.0002991900000000 ] - [ -0.0006505100000000, 0.0003863500000000, 0.0000858600000000 ] - [ -0.0004655400000000, -0.0002330300000000, 0.0001019800000000 ] - [ 0.0008571700000000, -0.0003361500000000, -0.0000069200000000 ] - [ 0.0000426900000000, -0.0002409000000000, -0.0001803500000000 ] - [ -0.0010045600000000, 0.0013785100000000, -0.0012760000000000 ] - [ -0.0003062600000000, -0.0003441700000000, 0.0000358500000000 ] - [ -0.0010936800000000, 0.0003285100000000, 0.0003351300000000 ] - [ -0.0009600000000000, -0.0003395800000000, 0.0005795100000000 ] - [ -0.0007791400000000, 0.0007354800000000, 0.0009272900000000 ] - [ -0.0006785900000000, 0.0005043300000000, 0.0006998900000000 ] - [ -0.0006121400000000, 0.0006338300000000, 0.0006933600000000 ] - [ -0.0005597900000000, 0.0003342900000000, 0.0005530200000000 ]- atom: 65 displacement: [ -0.0002521786343742, 0.0000000000000000, 0.0099968197911318 ] forces: - [ 0.0090932400000000, -0.0061665000000000, -0.0018929300000000 ] - [ 0.0030924300000000, 0.0023926600000000, -0.0013843100000000 ] - [ -0.0041894100000000, 0.0059869200000000, -0.0053347100000000 ] - [ -0.0005581900000000, -0.0042637100000000, -0.0051024600000000 ] - [ 0.0205059400000000, 0.0079719300000000, 0.0215546200000000 ] - [ 0.0007928300000000, -0.0014990700000000, 0.0044494800000000 ] - [ 0.0015952000000000, -0.0001105100000000, -0.0046488700000000 ] - [ 0.0011913100000000, 0.0002976500000000, -0.0038784100000000 ] - [ 0.0013883700000000, 0.0021999200000000, 0.0038369700000000 ] - [ 0.0005573100000000, -0.0007915900000000, 0.0013532400000000 ] - [ -0.0015799400000000, -0.0001422800000000, -0.0018771100000000 ] - [ -0.0011244500000000, 0.0000651600000000, -0.0015376000000000 ] - [ -0.0040069700000000, 0.0019288100000000, 0.0007724300000000 ] - [ -0.0024607700000000, -0.0029896200000000, -0.0014682400000000 ] - [ 0.0004211100000000, 0.0001228200000000, -0.0010293700000000 ] - [ 0.0000047300000000, 0.0001562400000000, -0.0006715800000000 ] - [ -0.0009991900000000, 0.0003354500000000, 0.0001636200000000 ] - [ -0.0004206500000000, 0.0004139000000000, -0.0002144800000000 ] - [ 0.0001226100000000, 0.0004327500000000, -0.0007958000000000 ] - [ 0.0000837300000000, 0.0005488700000000, -0.0006660400000000 ] - [ 0.0000819900000000, -0.0005915600000000, 0.0001827300000000 ] - [ 0.0000248500000000, -0.0005083600000000, 0.0001532700000000 ] - [ -0.0009296000000000, -0.0008854300000000, -0.0008501100000000 ] - [ -0.0006720700000000, 0.0002267300000000, -0.0011330200000000 ] - [ -0.0028963500000000, -0.0031573200000000, 0.0016767900000000 ] - [ -0.0020831400000000, 0.0015896200000000, 0.0029265100000000 ] - [ 0.0001901500000000, -0.0006734800000000, -0.0025911000000000 ] - [ -0.0005816700000000, 0.0005739300000000, -0.0017895200000000 ] - [ 0.0022754500000000, -0.0018882900000000, 0.0022022300000000 ] - [ 0.0011910100000000, 0.0009801800000000, 0.0001406400000000 ] - [ -0.0058473000000000, 0.0007025300000000, -0.0033612500000000 ] - [ -0.0008781200000000, 0.0000205900000000, -0.0007703900000000 ] - [ -0.0005012800000000, 0.0001203100000000, 0.0001641700000000 ] - [ -0.0003450600000000, 0.0000663400000000, 0.0001979500000000 ] - [ -0.0003084100000000, -0.0000387200000000, -0.0002494800000000 ] - [ -0.0002245500000000, -0.0000589200000000, -0.0002215000000000 ] - [ -0.0001106900000000, 0.0000556200000000, 0.0000943600000000 ] - [ -0.0002111900000000, 0.0000184800000000, 0.0001003300000000 ] - [ -0.0004423000000000, -0.0000036100000000, -0.0002797500000000 ] - [ -0.0004947900000000, -0.0000269500000000, -0.0003107200000000 ] - [ -0.0068609200000000, -0.0127381800000000, 0.0145692400000000 ] - [ 0.0011965800000000, -0.0000619600000000, 0.0019233500000000 ] - [ -0.0003439900000000, -0.0015494800000000, -0.0038806200000000 ] - [ 0.0003240400000000, 0.0020480900000000, -0.0015797500000000 ] - [ -0.0054708900000000, -0.0051369500000000, 0.0001089900000000 ] - [ 0.0001410200000000, 0.0007120700000000, 0.0010923400000000 ] - [ 0.0024857600000000, -0.0016456900000000, -0.0034650000000000 ] - [ 0.0007126100000000, 0.0009522800000000, -0.0012846500000000 ] - [ 0.0001993500000000, 0.0005515400000000, -0.0015096800000000 ] - [ 0.0002453000000000, 0.0012323200000000, -0.0013145300000000 ] - [ 0.0001277600000000, -0.0002261800000000, 0.0004138200000000 ] - [ 0.0001101300000000, -0.0001296800000000, 0.0002245900000000 ] - [ -0.0011943000000000, 0.0039534400000000, -0.0018424000000000 ] - [ -0.0063042900000000, -0.0063501100000000, -0.0010610700000000 ] - [ -0.0008335600000000, -0.0033239300000000, 0.0040779300000000 ] - [ -0.0006244100000000, -0.0016148500000000, 0.0029846400000000 ] - [ -0.0076540900000000, -0.0020356300000000, -0.0004721600000000 ] - [ -0.0001631200000000, -0.0002759200000000, -0.0007574000000000 ] - [ 0.0009453100000000, 0.0012634000000000, 0.0016257200000000 ] - [ 0.0008993900000000, 0.0012042500000000, 0.0009954500000000 ] - [ -0.0001591400000000, -0.0006395400000000, -0.0006839500000000 ] - [ -0.0000010000000000, -0.0002359500000000, -0.0004165600000000 ] - [ 0.0007354400000000, -0.0000018600000000, 0.0003191100000000 ] - [ 0.0003737700000000, 0.0005519800000000, 0.0005344800000000 ] - [ -0.0210557800000000, 0.0027708000000000, -0.0639290000000000 ] - [ -0.0001810500000000, 0.0002030400000000, -0.0010412500000000 ] - [ -0.0005858600000000, -0.0002941600000000, 0.0019143500000000 ] - [ -0.0011826300000000, -0.0012404300000000, 0.0009952000000000 ] - [ -0.0000067900000000, -0.0002762000000000, -0.0004968800000000 ] - [ 0.0000954400000000, -0.0000036700000000, -0.0000784000000000 ] - [ 0.0007548600000000, 0.0001157000000000, 0.0004464300000000 ] - [ 0.0006493900000000, 0.0001158200000000, 0.0003988600000000 ] - [ -0.0034958000000000, 0.0052983900000000, 0.0109038200000000 ] - [ -0.0008304400000000, -0.0012204600000000, -0.0002056800000000 ] - [ 0.0010063400000000, -0.0052947400000000, 0.0107795900000000 ] - [ -0.0014174400000000, 0.0006608200000000, -0.0002136300000000 ] - [ 0.0091965900000000, 0.0048226600000000, 0.0008912900000000 ] - [ -0.0003462400000000, -0.0004525700000000, -0.0009198200000000 ] - [ -0.0003692000000000, 0.0001076900000000, 0.0005653000000000 ] - [ -0.0001914600000000, 0.0001740100000000, 0.0007043800000000 ] - [ 0.0012593600000000, -0.0003817600000000, 0.0003553800000000 ] - [ 0.0011168700000000, -0.0000681700000000, 0.0003542300000000 ] - [ 0.0000514900000000, 0.0000699500000000, 0.0001590800000000 ] - [ 0.0001983000000000, 0.0000224200000000, 0.0001621400000000 ] - [ 0.0067856600000000, -0.0033791800000000, 0.0027322200000000 ] - [ 0.0005577900000000, 0.0010873200000000, -0.0008109300000000 ] - [ -0.0005650000000000, -0.0006083400000000, 0.0011061900000000 ] - [ 0.0000761700000000, -0.0006312100000000, 0.0005602100000000 ] - [ -0.0016008200000000, 0.0008475700000000, 0.0000579100000000 ] - [ -0.0007720500000000, 0.0001808300000000, -0.0002397500000000 ] - [ 0.0010968500000000, -0.0010807400000000, 0.0003141500000000 ] - [ 0.0007811600000000, -0.0001138400000000, 0.0006633700000000 ] - [ 0.0054454400000000, 0.0111938300000000, 0.0085676200000000 ] - [ 0.0002124700000000, -0.0013209800000000, -0.0009026500000000 ] - [ -0.0016127800000000, 0.0010837100000000, 0.0026899700000000 ] - [ -0.0010047700000000, 0.0024311500000000, 0.0025673000000000 ] - [ 0.0007840400000000, 0.0012398500000000, -0.0025257100000000 ] - [ -0.0013939100000000, 0.0006682800000000, -0.0019387700000000 ] - [ -0.0001072400000000, -0.0010178800000000, 0.0014247000000000 ] - [ 0.0000847100000000, 0.0000555000000000, 0.0003470000000000 ] - [ -0.0001586300000000, -0.0003207300000000, 0.0003985100000000 ] - [ -0.0001975900000000, -0.0004149900000000, 0.0005322800000000 ] - [ -0.0001257000000000, -0.0007303600000000, 0.0011036400000000 ] - [ -0.0001977200000000, -0.0008053400000000, 0.0010853400000000 ] - [ 0.0011839000000000, 0.0008001700000000, -0.0004019000000000 ] - [ 0.0008921100000000, 0.0003680400000000, -0.0003993100000000 ] - [ 0.0006058500000000, 0.0005525500000000, 0.0003356500000000 ] - [ 0.0007652700000000, 0.0004753300000000, 0.0003285400000000 ] - [ 0.0001611300000000, 0.0003514400000000, -0.0000815100000000 ] - [ 0.0027686500000000, -0.0015248300000000, -0.0004015100000000 ] - [ -0.0008106500000000, -0.0000627100000000, 0.0006634100000000 ] - [ -0.0002847400000000, 0.0002819900000000, 0.0001899900000000 ] - [ -0.0000064400000000, 0.0003202000000000, -0.0001698700000000 ] - [ -0.0000475100000000, 0.0003026100000000, -0.0001708100000000 ] - [ 0.0002529200000000, 0.0003024200000000, 0.0001609100000000 ] - [ 0.0002788300000000, 0.0002390300000000, 0.0001620700000000 ] - [ 0.0065511200000000, 0.0030735400000000, -0.0005764900000000 ] - [ -0.0000159000000000, -0.0006078100000000, -0.0009769400000000 ] - [ -0.0000759400000000, -0.0006428900000000, 0.0017070700000000 ] - [ 0.0000915400000000, -0.0011275600000000, 0.0012856800000000 ] - [ 0.0002500200000000, -0.0003178500000000, -0.0000176800000000 ] - [ 0.0000457700000000, -0.0002820400000000, -0.0000281700000000 ] - [ 0.0000177300000000, -0.0002988800000000, -0.0000225400000000 ] - [ 0.0000332800000000, -0.0003080000000000, -0.0000285400000000 ] - [ 0.0000886900000000, -0.0002179400000000, -0.0008273000000000 ] - [ 0.0000323900000000, -0.0004937800000000, -0.0007598100000000 ] - [ 0.0009737600000000, 0.0014290900000000, 0.0013616900000000 ] - [ 0.0000680000000000, 0.0000448000000000, 0.0002104200000000 ] - [ -0.0046532100000000, 0.0015149900000000, 0.0010668700000000 ] - [ -0.0007161400000000, -0.0000885000000000, 0.0001883700000000 ] - [ 0.0056003100000000, 0.0031205600000000, 0.0059290300000000 ] - [ 0.0002714700000000, -0.0003587600000000, -0.0001201900000000 ] - [ 0.0001938800000000, -0.0001615300000000, -0.0000202600000000 ] - [ 0.0002868300000000, -0.0002940000000000, -0.0000369500000000 ] - [ 0.0023091600000000, -0.0010216100000000, 0.0003386800000000 ] - [ 0.0008200100000000, -0.0004430200000000, 0.0000409800000000 ] - [ 0.0006191200000000, 0.0001888600000000, -0.0005282000000000 ] - [ 0.0002577800000000, -0.0003472100000000, -0.0000454000000000 ] - [ -0.0003808400000000, -0.0000696400000000, 0.0003465400000000 ] - [ -0.0001184300000000, -0.0003492400000000, 0.0003141700000000 ] - [ -0.0002382300000000, 0.0005262400000000, 0.0006976600000000 ] - [ -0.0002297500000000, 0.0005102400000000, 0.0006909700000000 ] - [ -0.0000825500000000, 0.0007110100000000, 0.0008607700000000 ] - [ -0.0001461500000000, 0.0004961200000000, 0.0007434900000000 ]- atom: 65 displacement: [ 0.0002521786343742, 0.0000000000000000, -0.0099968197911318 ] forces: - [ -0.0082493000000000, 0.0070067400000000, 0.0013094400000000 ] - [ -0.0023335700000000, -0.0015317600000000, 0.0007997300000000 ] - [ 0.0049705100000000, -0.0051054900000000, 0.0046743100000000 ] - [ 0.0013069400000000, 0.0051258600000000, 0.0044528100000000 ] - [ -0.0193046500000000, -0.0086742200000000, -0.0215959400000000 ] - [ -0.0000351500000000, 0.0006121100000000, -0.0050668800000000 ] - [ -0.0008333900000000, -0.0007566900000000, 0.0040186200000000 ] - [ -0.0004334800000000, -0.0011892900000000, 0.0032490600000000 ] - [ -0.0021686400000000, -0.0023988800000000, -0.0038336400000000 ] - [ -0.0013122100000000, 0.0005354000000000, -0.0014038500000000 ] - [ 0.0008230700000000, -0.0000947200000000, 0.0017959300000000 ] - [ 0.0003701800000000, -0.0003139500000000, 0.0014564200000000 ] - [ 0.0032265900000000, -0.0016665800000000, -0.0008489000000000 ] - [ 0.0016650400000000, 0.0031464700000000, 0.0013349900000000 ] - [ -0.0011694600000000, 0.0001258900000000, 0.0009689900000000 ] - [ -0.0007619400000000, 0.0000804500000000, 0.0006104800000000 ] - [ 0.0017206200000000, 0.0005425300000000, -0.0007871300000000 ] - [ 0.0011472400000000, 0.0004679800000000, -0.0004094700000000 ] - [ 0.0006027600000000, 0.0004488000000000, 0.0001668700000000 ] - [ 0.0006459900000000, 0.0003297400000000, 0.0000378400000000 ] - [ 0.0006460700000000, -0.0002903000000000, -0.0008095200000000 ] - [ 0.0007001600000000, -0.0003714000000000, -0.0007787900000000 ] - [ 0.0016506800000000, 0.0000019100000000, 0.0002216300000000 ] - [ 0.0013968300000000, -0.0011029500000000, 0.0005020700000000 ] - [ 0.0021475500000000, 0.0029217700000000, -0.0017376100000000 ] - [ 0.0013051500000000, -0.0018135000000000, -0.0029748400000000 ] - [ -0.0009543800000000, 0.0004241500000000, 0.0025157200000000 ] - [ -0.0001830900000000, -0.0008083600000000, 0.0017150600000000 ] - [ -0.0030488300000000, 0.0021323900000000, -0.0022710800000000 ] - [ -0.0019510800000000, -0.0007367900000000, -0.0002078300000000 ] - [ 0.0050590200000000, -0.0004666100000000, 0.0032751300000000 ] - [ 0.0001137300000000, 0.0002211600000000, 0.0007031400000000 ] - [ 0.0006785500000000, -0.0001147700000000, -0.0001620100000000 ] - [ 0.0005274300000000, -0.0000679800000000, -0.0001944600000000 ] - [ 0.0004921700000000, 0.0000360400000000, 0.0002533800000000 ] - [ 0.0004103900000000, 0.0000602700000000, 0.0002235900000000 ] - [ 0.0002946400000000, -0.0000538100000000, -0.0000900700000000 ] - [ 0.0003926100000000, -0.0000220600000000, -0.0000935600000000 ] - [ 0.0006267700000000, 0.0000014100000000, 0.0002816000000000 ] - [ 0.0006772100000000, 0.0000284300000000, 0.0003085900000000 ] - [ 0.0073387700000000, 0.0130646000000000, -0.0145974700000000 ] - [ -0.0009890400000000, 0.0000560800000000, -0.0019066600000000 ] - [ 0.0005170100000000, 0.0015429200000000, 0.0038615800000000 ] - [ -0.0001267100000000, -0.0020315000000000, 0.0015703200000000 ] - [ 0.0059390600000000, 0.0048745500000000, 0.0003796000000000 ] - [ 0.0000581000000000, -0.0007158400000000, -0.0010857200000000 ] - [ -0.0022925400000000, 0.0016556900000000, 0.0034690900000000 ] - [ -0.0005203200000000, -0.0009538300000000, 0.0012844800000000 ] - [ -0.0000390700000000, -0.0000452600000000, 0.0008051800000000 ] - [ -0.0000857200000000, -0.0006918800000000, 0.0005973000000000 ] - [ 0.0000275000000000, 0.0007420200000000, -0.0011175600000000 ] - [ 0.0000447000000000, 0.0006480400000000, -0.0009304400000000 ] - [ 0.0005236700000000, -0.0050533100000000, 0.0033114600000000 ] - [ 0.0056126300000000, 0.0052185300000000, 0.0024785200000000 ] - [ 0.0001659200000000, 0.0022093900000000, -0.0025784200000000 ] - [ -0.0000492500000000, 0.0004932900000000, -0.0014803100000000 ] - [ 0.0085912900000000, 0.0027465000000000, 0.0004143100000000 ] - [ 0.0011518400000000, 0.0010175700000000, 0.0007397900000000 ] - [ 0.0000424500000000, -0.0005213400000000, -0.0016338000000000 ] - [ 0.0000915800000000, -0.0004589200000000, -0.0010028700000000 ] - [ 0.0003185100000000, 0.0001038900000000, -0.0000425400000000 ] - [ 0.0001555200000000, -0.0002816900000000, -0.0002918000000000 ] - [ -0.0005764000000000, -0.0005149900000000, -0.0010167300000000 ] - [ -0.0002167900000000, -0.0010498400000000, -0.0012189000000000 ] - [ 0.0193032500000000, -0.0028284700000000, 0.0627846700000000 ] - [ -0.0004670500000000, 0.0001065300000000, 0.0008416500000000 ] - [ -0.0000623600000000, 0.0005943000000000, -0.0021024600000000 ] - [ 0.0005455800000000, 0.0015488500000000, -0.0011812000000000 ] - [ 0.0002591300000000, 0.0001683300000000, 0.0006999300000000 ] - [ 0.0001559000000000, -0.0000964400000000, 0.0002924600000000 ] - [ -0.0005143600000000, -0.0002230800000000, -0.0002326400000000 ] - [ -0.0003999800000000, -0.0002184400000000, -0.0001832600000000 ] - [ 0.0028198000000000, -0.0055010000000000, -0.0108259300000000 ] - [ 0.0001715100000000, 0.0009186000000000, 0.0000073900000000 ] - [ -0.0016723000000000, 0.0050669400000000, -0.0111762500000000 ] - [ 0.0007833200000000, -0.0009674200000000, 0.0000292500000000 ] - [ -0.0092250300000000, -0.0046811000000000, -0.0010499900000000 ] - [ 0.0000800300000000, 0.0004619700000000, 0.0008055500000000 ] - [ 0.0000998400000000, -0.0000965300000000, -0.0006760500000000 ] - [ -0.0000798000000000, -0.0001626900000000, -0.0008130700000000 ] - [ -0.0010089100000000, 0.0004825800000000, -0.0001403400000000 ] - [ -0.0008613000000000, 0.0001731400000000, -0.0001344800000000 ] - [ 0.0001906500000000, 0.0000360800000000, 0.0000529600000000 ] - [ 0.0000478300000000, 0.0000805100000000, 0.0000486700000000 ] - [ -0.0057977600000000, 0.0026001300000000, -0.0026946400000000 ] - [ 0.0004282200000000, -0.0018197800000000, 0.0007999500000000 ] - [ 0.0015478800000000, -0.0001357000000000, -0.0011200500000000 ] - [ 0.0009134000000000, -0.0001028600000000, -0.0005834200000000 ] - [ 0.0013251600000000, -0.0008535100000000, -0.0001721700000000 ] - [ 0.0005060500000000, -0.0001884700000000, 0.0001146400000000 ] - [ -0.0013655100000000, 0.0010665200000000, -0.0004181600000000 ] - [ -0.0010487400000000, 0.0001025200000000, -0.0007614400000000 ] - [ -0.0062186300000000, -0.0101404400000000, -0.0070441000000000 ] - [ -0.0008878200000000, 0.0024408300000000, 0.0023996400000000 ] - [ 0.0009430900000000, 0.0000286800000000, -0.0012040600000000 ] - [ 0.0003259400000000, -0.0012998400000000, -0.0010669400000000 ] - [ -0.0006248600000000, -0.0007219600000000, 0.0018144200000000 ] - [ 0.0015510400000000, -0.0001559300000000, 0.0012343700000000 ] - [ 0.0002616700000000, 0.0015272400000000, -0.0021196300000000 ] - [ 0.0000750200000000, 0.0004649800000000, -0.0010540600000000 ] - [ -0.0005041100000000, -0.0007955100000000, 0.0010967600000000 ] - [ -0.0004656600000000, -0.0007032400000000, 0.0009658800000000 ] - [ -0.0005372900000000, -0.0003878300000000, 0.0003961100000000 ] - [ -0.0004639400000000, -0.0003135400000000, 0.0004130000000000 ] - [ -0.0001865100000000, -0.0000571700000000, 0.0003878400000000 ] - [ 0.0001110800000000, 0.0003775500000000, 0.0003834700000000 ] - [ 0.0003964900000000, 0.0001930800000000, -0.0003478000000000 ] - [ 0.0002361100000000, 0.0002696500000000, -0.0003414100000000 ] - [ -0.0000031500000000, -0.0008706700000000, -0.0006285000000000 ] - [ -0.0025895900000000, 0.0009985300000000, -0.0003007800000000 ] - [ 0.0009690300000000, -0.0004539700000000, -0.0013677100000000 ] - [ 0.0004408300000000, -0.0008004600000000, -0.0008947300000000 ] - [ -0.0006214100000000, -0.0000055400000000, -0.0000213500000000 ] - [ -0.0005763700000000, 0.0000137300000000, -0.0000196100000000 ] - [ -0.0008806400000000, 0.0000115200000000, -0.0003504900000000 ] - [ -0.0009051300000000, 0.0000736800000000, -0.0003511300000000 ] - [ -0.0063157100000000, -0.0031991300000000, 0.0007700400000000 ] - [ 0.0002557200000000, 0.0004954600000000, 0.0011819600000000 ] - [ 0.0003213000000000, 0.0005308900000000, -0.0014860200000000 ] - [ 0.0001481700000000, 0.0010158400000000, -0.0010687000000000 ] - [ -0.0008739800000000, 0.0000014100000000, -0.0001739700000000 ] - [ -0.0006742100000000, -0.0000324300000000, -0.0001632700000000 ] - [ -0.0006457100000000, -0.0000139700000000, -0.0001678500000000 ] - [ -0.0006656000000000, -0.0000047900000000, -0.0001633400000000 ] - [ -0.0003474600000000, 0.0002335900000000, 0.0007174900000000 ] - [ -0.0002908500000000, 0.0005043200000000, 0.0006432100000000 ] - [ -0.0012246000000000, -0.0014056000000000, -0.0014640100000000 ] - [ -0.0003270300000000, -0.0000307100000000, -0.0003213400000000 ] - [ 0.0049466500000000, -0.0013982600000000, -0.0008640900000000 ] - [ 0.0009549300000000, 0.0002011000000000, 0.0000238200000000 ] - [ -0.0053265600000000, -0.0030004000000000, -0.0056908200000000 ] - [ -0.0000368400000000, 0.0004687400000000, 0.0003294500000000 ] - [ 0.0008080700000000, -0.0005829800000000, 0.0000056400000000 ] - [ 0.0007116200000000, -0.0004505600000000, 0.0000234900000000 ] - [ -0.0012978300000000, 0.0002745400000000, -0.0003504500000000 ] - [ 0.0001828400000000, -0.0003026200000000, -0.0000552000000000 ] - [ -0.0008768900000000, -0.0002000700000000, 0.0004121800000000 ] - [ -0.0005159000000000, 0.0003313300000000, -0.0000664800000000 ] - [ 0.0001266900000000, 0.0000538000000000, -0.0004581400000000 ] - [ -0.0001413800000000, 0.0003329900000000, -0.0004230600000000 ] - [ -0.0004247800000000, 0.0005924600000000, 0.0008012000000000 ] - [ -0.0004344500000000, 0.0006079800000000, 0.0008075200000000 ] - [ -0.0005812100000000, 0.0004077500000000, 0.0006384700000000 ] - [ -0.0005161000000000, 0.0006203700000000, 0.0007532600000000 ]- atom: 69 displacement: [ 0.0099999998410115, 0.0000000000000000, -0.0000017831910382 ] forces: - [ -0.0067235300000000, -0.0104038900000000, -0.0080533700000000 ] - [ -0.0095172300000000, 0.0075417000000000, -0.0025890100000000 ] - [ -0.0008000000000000, -0.0002205600000000, 0.0010709900000000 ] - [ 0.0002842100000000, 0.0023548500000000, 0.0009701200000000 ] - [ -0.0089220200000000, 0.0015995700000000, 0.0073524500000000 ] - [ -0.0010311200000000, -0.0020853500000000, 0.0017651800000000 ] - [ -0.0011514600000000, -0.0000313400000000, -0.0043485800000000 ] - [ -0.0004805800000000, -0.0015213300000000, -0.0025143300000000 ] - [ 0.1490687100000000, 0.0550271400000000, 0.0290256900000000 ] - [ 0.0066754700000000, -0.0017200800000000, 0.0005538000000000 ] - [ 0.0034967300000000, 0.0019756000000000, -0.0006889300000000 ] - [ 0.0042969300000000, -0.0006543100000000, 0.0000893200000000 ] - [ 0.0025200400000000, -0.0088855100000000, 0.0134334400000000 ] - [ 0.0104112300000000, 0.0060315900000000, 0.0084656800000000 ] - [ 0.0002021400000000, -0.0129016400000000, -0.0113975000000000 ] - [ 0.0111258000000000, 0.0051689800000000, -0.0079143600000000 ] - [ -0.0077116400000000, 0.0050499200000000, -0.0002524700000000 ] - [ -0.0037672000000000, -0.0025626100000000, 0.0017591100000000 ] - [ -0.0049430200000000, 0.0015637000000000, -0.0039344000000000 ] - [ -0.0010149100000000, -0.0012008200000000, -0.0018726600000000 ] - [ -0.0021906700000000, 0.0020305100000000, -0.0002302700000000 ] - [ -0.0092984600000000, -0.0043894100000000, -0.0038749400000000 ] - [ -0.0013987100000000, 0.0004256400000000, 0.0002302700000000 ] - [ -0.0010279000000000, -0.0002500200000000, 0.0017894800000000 ] - [ -0.0046935700000000, -0.0001052200000000, -0.0004860800000000 ] - [ -0.0054821500000000, -0.0001669700000000, 0.0002608100000000 ] - [ -0.0039332900000000, 0.0002723800000000, -0.0009528100000000 ] - [ -0.0042836700000000, -0.0006196000000000, -0.0007734900000000 ] - [ -0.0052085000000000, 0.0007581700000000, -0.0005242200000000 ] - [ -0.0044113600000000, -0.0009088700000000, -0.0012568200000000 ] - [ -0.0045251400000000, 0.0005312900000000, -0.0002132300000000 ] - [ -0.0041289500000000, 0.0001209100000000, -0.0001565500000000 ] - [ 0.0012730200000000, -0.0006617200000000, -0.0128894300000000 ] - [ 0.0033646500000000, -0.0020699800000000, -0.0010380000000000 ] - [ 0.0041998300000000, 0.0018633400000000, 0.0028207500000000 ] - [ 0.0035207100000000, -0.0026980600000000, 0.0014454900000000 ] - [ 0.0054349800000000, 0.0003292100000000, 0.0014307400000000 ] - [ 0.0114781200000000, 0.0079024700000000, -0.0002637100000000 ] - [ 0.0027133200000000, 0.0019111500000000, -0.0001051800000000 ] - [ 0.0029556200000000, -0.0011192700000000, -0.0010991400000000 ] - [ -0.0026213200000000, -0.0006095800000000, 0.0004391700000000 ] - [ -0.0022047400000000, 0.0003463600000000, -0.0000835500000000 ] - [ -0.0023441500000000, -0.0000117700000000, -0.0009140600000000 ] - [ -0.0021378100000000, 0.0002544600000000, -0.0007940000000000 ] - [ -0.0033629100000000, 0.0002768800000000, -0.0007125100000000 ] - [ -0.0024743600000000, -0.0000097100000000, -0.0000140600000000 ] - [ -0.0019403300000000, -0.0000418700000000, -0.0003692900000000 ] - [ -0.0017225900000000, -0.0001073500000000, -0.0003568500000000 ] - [ 0.0004032600000000, 0.0222386000000000, -0.0195529700000000 ] - [ -0.0017628400000000, -0.0014898900000000, -0.0009414400000000 ] - [ -0.0010589600000000, -0.0010741500000000, 0.0027593700000000 ] - [ -0.0013618400000000, -0.0010501500000000, 0.0009913600000000 ] - [ 0.0007135200000000, 0.0020663700000000, -0.0009104200000000 ] - [ 0.0014634600000000, -0.0021517700000000, 0.0012134800000000 ] - [ 0.0000054000000000, -0.0003850100000000, 0.0007876700000000 ] - [ -0.0001169900000000, -0.0010308900000000, 0.0012384800000000 ] - [ 0.0298011300000000, 0.0160191200000000, -0.0030755000000000 ] - [ -0.0003406600000000, -0.0011580400000000, -0.0008169700000000 ] - [ -0.0001922000000000, 0.0001785000000000, 0.0003795400000000 ] - [ -0.0005650700000000, 0.0001011300000000, 0.0002868700000000 ] - [ -0.0095554400000000, 0.0196568900000000, 0.0243388700000000 ] - [ -0.0031525300000000, -0.0012457800000000, -0.0004329700000000 ] - [ -0.0017931200000000, -0.0016934500000000, -0.0018787600000000 ] - [ -0.0011526100000000, -0.0008164100000000, -0.0013437300000000 ] - [ 0.0045889200000000, 0.0016210000000000, -0.0001072800000000 ] - [ 0.0013686900000000, 0.0008541600000000, -0.0000861200000000 ] - [ 0.0015754100000000, 0.0007414100000000, 0.0005876100000000 ] - [ 0.0011436000000000, 0.0006979800000000, 0.0004680800000000 ] - [ -0.2121120700000000, -0.0979653700000000, -0.0264901000000000 ] - [ -0.0050110000000000, -0.0008608100000000, 0.0001188100000000 ] - [ -0.0031584200000000, -0.0014770000000000, -0.0002396300000000 ] - [ -0.0039338700000000, -0.0013386700000000, -0.0008601300000000 ] - [ 0.0032871400000000, -0.0007677900000000, 0.0011332700000000 ] - [ 0.0032848300000000, -0.0017621800000000, 0.0009870900000000 ] - [ 0.0009739000000000, -0.0005155400000000, -0.0001341100000000 ] - [ 0.0009803700000000, -0.0008150500000000, 0.0000124000000000 ] - [ 0.0105836800000000, -0.0061838600000000, -0.0140641900000000 ] - [ -0.0002105200000000, 0.0018345700000000, 0.0001404300000000 ] - [ -0.0013178000000000, -0.0007130400000000, 0.0010879100000000 ] - [ 0.0002596300000000, 0.0018681800000000, 0.0015697600000000 ] - [ -0.0062057600000000, 0.0027863000000000, -0.0011542800000000 ] - [ -0.0081903700000000, 0.0042326600000000, 0.0012828400000000 ] - [ -0.0062143400000000, 0.0036986500000000, -0.0005549400000000 ] - [ -0.0082134100000000, 0.0008421300000000, -0.0033303900000000 ] - [ 0.0006851900000000, 0.0011279200000000, -0.0026449300000000 ] - [ -0.0004549000000000, -0.0002426800000000, -0.0005693400000000 ] - [ 0.0020158000000000, -0.0006228300000000, 0.0027963500000000 ] - [ -0.0004519200000000, -0.0014669400000000, 0.0016266900000000 ] - [ -0.0010614900000000, 0.0039005400000000, -0.0008252000000000 ] - [ 0.0120921200000000, -0.0160446400000000, 0.0157187500000000 ] - [ -0.0003826600000000, 0.0016235400000000, -0.0020420800000000 ] - [ -0.0012058200000000, -0.0000277200000000, -0.0007632100000000 ] - [ 0.0008045000000000, -0.0019609400000000, -0.0024125500000000 ] - [ 0.0001131800000000, 0.0004591100000000, 0.0001322500000000 ] - [ 0.0014084600000000, 0.0013784700000000, 0.0031839700000000 ] - [ 0.0003041000000000, 0.0031731200000000, 0.0034736100000000 ] - [ 0.0011784600000000, 0.0000937600000000, -0.0002644300000000 ] - [ 0.0010499500000000, 0.0004620900000000, -0.0004106300000000 ] - [ 0.0009965800000000, 0.0002182400000000, -0.0002076700000000 ] - [ 0.0008998200000000, 0.0002217400000000, -0.0002369200000000 ] - [ -0.0001843400000000, -0.0023522400000000, 0.0018315400000000 ] - [ 0.0026133100000000, 0.0016983700000000, 0.0002909900000000 ] - [ -0.0004057000000000, -0.0015174100000000, 0.0019093400000000 ] - [ -0.0002799100000000, -0.0003736100000000, 0.0006820600000000 ] - [ 0.0023100100000000, 0.0012431800000000, 0.0000454200000000 ] - [ 0.0032666900000000, 0.0009924100000000, -0.0004289400000000 ] - [ 0.0018142500000000, 0.0008065600000000, 0.0000427500000000 ] - [ 0.0025960500000000, 0.0017499500000000, 0.0008223800000000 ] - [ 0.0009665100000000, -0.0003172700000000, -0.0003986500000000 ] - [ 0.0011514000000000, -0.0004956100000000, -0.0005962100000000 ] - [ 0.0009072900000000, -0.0000541100000000, -0.0000931400000000 ] - [ 0.0010430600000000, -0.0000922200000000, -0.0000747100000000 ] - [ -0.0009407400000000, -0.0007449500000000, -0.0002465800000000 ] - [ 0.0160803500000000, 0.0061345400000000, 0.0066717700000000 ] - [ -0.0000312300000000, 0.0003944500000000, -0.0001163400000000 ] - [ -0.0017858900000000, -0.0005569300000000, -0.0003278300000000 ] - [ 0.0028273600000000, 0.0010433900000000, 0.0004824100000000 ] - [ 0.0028229900000000, 0.0009191500000000, 0.0004394800000000 ] - [ 0.0023906100000000, 0.0005741200000000, 0.0007320800000000 ] - [ 0.0023872100000000, 0.0006022600000000, 0.0007558600000000 ] - [ 0.0083688400000000, -0.0039217200000000, -0.0046425300000000 ] - [ -0.0001660700000000, 0.0008573600000000, -0.0009270700000000 ] - [ 0.0041500700000000, 0.0028353300000000, 0.0055014100000000 ] - [ -0.0008185700000000, 0.0002548500000000, 0.0000474700000000 ] - [ 0.0014878800000000, 0.0004331100000000, -0.0000289300000000 ] - [ 0.0040498200000000, 0.0020506700000000, 0.0001193600000000 ] - [ 0.0012388300000000, 0.0004809300000000, 0.0000104600000000 ] - [ 0.0012377400000000, 0.0006476000000000, -0.0000010300000000 ] - [ 0.0027428400000000, -0.0009268300000000, 0.0005061200000000 ] - [ 0.0024396800000000, -0.0007873700000000, 0.0005143800000000 ] - [ 0.0027418900000000, -0.0007482200000000, 0.0007379700000000 ] - [ 0.0024365700000000, -0.0007571300000000, 0.0005249600000000 ] - [ 0.0031163500000000, -0.0020976200000000, 0.0010460700000000 ] - [ 0.0018559900000000, -0.0009412300000000, 0.0002938100000000 ] - [ 0.0027647100000000, -0.0006809900000000, -0.0009832100000000 ] - [ 0.0022645200000000, -0.0006223900000000, -0.0005063700000000 ] - [ 0.0022692700000000, -0.0012275700000000, -0.0002429500000000 ] - [ 0.0016172800000000, -0.0004695100000000, -0.0003148500000000 ] - [ 0.0023912800000000, -0.0011134500000000, 0.0004945900000000 ] - [ 0.0011927300000000, -0.0004096100000000, 0.0002909200000000 ] - [ 0.0016742600000000, -0.0002280400000000, 0.0012400000000000 ] - [ -0.0005177100000000, 0.0031512200000000, 0.0035990400000000 ] - [ 0.0000342100000000, -0.0007478100000000, -0.0005548300000000 ] - [ 0.0015055600000000, 0.0006998300000000, -0.0013417400000000 ]- atom: 69 displacement: [ -0.0099999998410115, 0.0000000000000000, 0.0000017831910382 ] forces: - [ 0.0074166600000000, 0.0111867600000000, 0.0073672600000000 ] - [ 0.0101915500000000, -0.0066059800000000, 0.0019597900000000 ] - [ 0.0015466700000000, 0.0010964800000000, -0.0016904000000000 ] - [ 0.0004679000000000, -0.0014636500000000, -0.0015916900000000 ] - [ 0.0096317300000000, -0.0024483700000000, -0.0079062200000000 ] - [ 0.0017885800000000, 0.0011939900000000, -0.0023706500000000 ] - [ 0.0018952100000000, -0.0008459300000000, 0.0036979500000000 ] - [ 0.0012248100000000, 0.0006331800000000, 0.0018749600000000 ] - [ -0.1416636500000000, -0.0506861700000000, -0.0269158000000000 ] - [ -0.0073854300000000, 0.0014213100000000, -0.0005741700000000 ] - [ -0.0042282700000000, -0.0021963600000000, 0.0006099100000000 ] - [ -0.0050292700000000, 0.0003960300000000, -0.0001624100000000 ] - [ -0.0032521500000000, 0.0091078200000000, -0.0134777100000000 ] - [ -0.0110172300000000, -0.0057983400000000, -0.0085963900000000 ] - [ -0.0009661400000000, 0.0130702300000000, 0.0112661500000000 ] - [ -0.0117307900000000, -0.0049234800000000, 0.0078071500000000 ] - [ 0.0084525500000000, -0.0041826100000000, -0.0003767500000000 ] - [ 0.0044848200000000, 0.0034333300000000, -0.0023798000000000 ] - [ 0.0056365700000000, -0.0006792400000000, 0.0032930100000000 ] - [ 0.0017454900000000, 0.0020868300000000, 0.0012528200000000 ] - [ 0.0029097000000000, -0.0029071700000000, -0.0003841800000000 ] - [ 0.0100568100000000, 0.0035432000000000, 0.0032486600000000 ] - [ 0.0021253500000000, -0.0013044500000000, -0.0008600100000000 ] - [ 0.0017507700000000, -0.0006253400000000, -0.0024180900000000 ] - [ 0.0039146100000000, -0.0001402100000000, 0.0004196800000000 ] - [ 0.0047116100000000, -0.0000732800000000, -0.0003314500000000 ] - [ 0.0031547800000000, -0.0005106600000000, 0.0008820500000000 ] - [ 0.0035078200000000, 0.0003770800000000, 0.0007054800000000 ] - [ 0.0044302400000000, -0.0005189800000000, 0.0004583900000000 ] - [ 0.0036383800000000, 0.0011565700000000, 0.0011924300000000 ] - [ 0.0037508700000000, -0.0002887900000000, 0.0001408000000000 ] - [ 0.0033529800000000, 0.0001187900000000, 0.0000882800000000 ] - [ -0.0013844200000000, 0.0007071900000000, 0.0125993100000000 ] - [ -0.0031767100000000, 0.0020594000000000, 0.0010397600000000 ] - [ -0.0040241900000000, -0.0018429800000000, -0.0028077500000000 ] - [ -0.0033216400000000, 0.0026897300000000, -0.0014513700000000 ] - [ -0.0052343800000000, -0.0003156500000000, -0.0014128400000000 ] - [ -0.0119674400000000, -0.0087610700000000, 0.0007296700000000 ] - [ -0.0025182000000000, -0.0019092200000000, 0.0001125700000000 ] - [ -0.0027734900000000, 0.0011197800000000, 0.0010806000000000 ] - [ 0.0028010200000000, 0.0005999100000000, -0.0004299300000000 ] - [ 0.0023880500000000, -0.0003454000000000, 0.0000878800000000 ] - [ 0.0025232600000000, 0.0000082200000000, 0.0009128900000000 ] - [ 0.0023202600000000, -0.0002600900000000, 0.0007935800000000 ] - [ 0.0035361600000000, -0.0002677200000000, 0.0007130100000000 ] - [ 0.0026571600000000, 0.0000154400000000, 0.0000198300000000 ] - [ 0.0021262100000000, 0.0000455000000000, 0.0003700400000000 ] - [ 0.0019054600000000, 0.0001137400000000, 0.0003599400000000 ] - [ -0.0003836700000000, -0.0216357600000000, 0.0187299300000000 ] - [ 0.0018738800000000, 0.0020760500000000, 0.0002460300000000 ] - [ 0.0012111100000000, 0.0015816200000000, -0.0034412100000000 ] - [ 0.0015063000000000, 0.0015724200000000, -0.0017034800000000 ] - [ -0.0013772100000000, -0.0031604700000000, 0.0023905500000000 ] - [ -0.0021249300000000, 0.0010251800000000, 0.0002822400000000 ] - [ -0.0006732300000000, -0.0007331400000000, 0.0007143200000000 ] - [ -0.0005527300000000, -0.0000926700000000, 0.0002658000000000 ] - [ -0.0283967700000000, -0.0151005800000000, 0.0029964500000000 ] - [ 0.0013205200000000, 0.0018860300000000, 0.0007916600000000 ] - [ 0.0011805700000000, 0.0005632200000000, -0.0003908000000000 ] - [ 0.0015510500000000, 0.0006403800000000, -0.0002976100000000 ] - [ 0.0094589900000000, -0.0200605200000000, -0.0248285800000000 ] - [ 0.0032923800000000, 0.0007222300000000, -0.0002777800000000 ] - [ 0.0019406400000000, 0.0011733900000000, 0.0011738900000000 ] - [ 0.0012992400000000, 0.0003023900000000, 0.0006415600000000 ] - [ -0.0052013800000000, -0.0013052400000000, -0.0000892300000000 ] - [ -0.0020085400000000, -0.0005444600000000, -0.0001111000000000 ] - [ -0.0022096300000000, -0.0004299300000000, -0.0007783600000000 ] - [ -0.0017708900000000, -0.0003836400000000, -0.0006561100000000 ] - [ 0.2052628600000000, 0.0940529300000000, 0.0244466700000000 ] - [ 0.0052476300000000, 0.0007614700000000, 0.0000915700000000 ] - [ 0.0033808600000000, 0.0013575100000000, 0.0004508600000000 ] - [ 0.0041692300000000, 0.0012340300000000, 0.0010741000000000 ] - [ -0.0039042700000000, 0.0004553700000000, -0.0013181300000000 ] - [ -0.0039064900000000, 0.0014460100000000, -0.0011731900000000 ] - [ -0.0016160600000000, 0.0002084200000000, -0.0000614500000000 ] - [ -0.0016088800000000, 0.0004981000000000, -0.0002037800000000 ] - [ -0.0107649900000000, 0.0061263500000000, 0.0138029500000000 ] - [ -0.0000664400000000, -0.0018088900000000, -0.0002470500000000 ] - [ 0.0010421900000000, 0.0007214200000000, -0.0011899700000000 ] - [ -0.0005270000000000, -0.0018429000000000, -0.0016679500000000 ] - [ 0.0064340700000000, -0.0026825900000000, 0.0013668000000000 ] - [ 0.0084292400000000, -0.0040915000000000, -0.0009726400000000 ] - [ 0.0064268600000000, -0.0035741300000000, 0.0007665500000000 ] - [ 0.0084097700000000, -0.0006872800000000, 0.0034108400000000 ] - [ 0.0002999200000000, -0.0018581000000000, 0.0026164800000000 ] - [ 0.0014367400000000, -0.0004979200000000, 0.0005543400000000 ] - [ -0.0010204200000000, -0.0001232700000000, -0.0027945900000000 ] - [ 0.0014351300000000, 0.0007204300000000, -0.0016291100000000 ] - [ 0.0007799600000000, -0.0038799700000000, 0.0007038800000000 ] - [ -0.0122216100000000, 0.0158110700000000, -0.0156362800000000 ] - [ 0.0001122100000000, -0.0016298400000000, 0.0019262200000000 ] - [ 0.0009264900000000, 0.0000138900000000, 0.0006544000000000 ] - [ -0.0014685000000000, 0.0030620200000000, 0.0038918700000000 ] - [ -0.0007808900000000, 0.0006586700000000, 0.0013615700000000 ] - [ -0.0020650100000000, -0.0002537200000000, -0.0016691700000000 ] - [ -0.0009677500000000, -0.0020330800000000, -0.0019533900000000 ] - [ -0.0010196000000000, 0.0004248100000000, -0.0004419300000000 ] - [ -0.0008877000000000, 0.0000562900000000, -0.0002967600000000 ] - [ -0.0008373600000000, 0.0002982400000000, -0.0004957700000000 ] - [ -0.0007381700000000, 0.0002977400000000, -0.0004710700000000 ] - [ -0.0004717100000000, 0.0012439700000000, -0.0003482500000000 ] - [ -0.0032596300000000, -0.0028248500000000, 0.0012246000000000 ] - [ -0.0002587500000000, 0.0003953100000000, -0.0004051700000000 ] - [ -0.0003815100000000, -0.0007419500000000, 0.0008133100000000 ] - [ -0.0013043700000000, -0.0004947300000000, -0.0000593900000000 ] - [ -0.0022710700000000, -0.0002476900000000, 0.0004204100000000 ] - [ -0.0008108800000000, -0.0000625000000000, -0.0000570000000000 ] - [ -0.0015888500000000, -0.0010003600000000, -0.0008331100000000 ] - [ -0.0008061100000000, -0.0002007700000000, -0.0003081000000000 ] - [ -0.0009923000000000, -0.0000224400000000, -0.0001077600000000 ] - [ -0.0007456400000000, -0.0004671800000000, -0.0006163200000000 ] - [ -0.0008834500000000, -0.0004254800000000, -0.0006309400000000 ] - [ 0.0003173700000000, 0.0010551600000000, 0.0000559300000000 ] - [ -0.0170458400000000, -0.0059329000000000, -0.0070369800000000 ] - [ -0.0006015800000000, -0.0000815300000000, -0.0000750000000000 ] - [ 0.0011582900000000, 0.0008635100000000, 0.0001435600000000 ] - [ -0.0025693300000000, -0.0011419500000000, -0.0002667600000000 ] - [ -0.0025731300000000, -0.0010205700000000, -0.0002245500000000 ] - [ -0.0021366100000000, -0.0006773900000000, -0.0005151000000000 ] - [ -0.0021404100000000, -0.0007058100000000, -0.0005412800000000 ] - [ -0.0090858800000000, 0.0035741400000000, 0.0045203100000000 ] - [ -0.0004660100000000, -0.0011684000000000, 0.0007343100000000 ] - [ -0.0047493600000000, -0.0031266900000000, -0.0056525800000000 ] - [ 0.0001847700000000, -0.0005660400000000, -0.0002377500000000 ] - [ -0.0017422700000000, -0.0004165200000000, -0.0000820900000000 ] - [ -0.0043265900000000, -0.0020467400000000, -0.0002280400000000 ] - [ -0.0014944600000000, -0.0004652200000000, -0.0001196300000000 ] - [ -0.0014924400000000, -0.0006305800000000, -0.0001096800000000 ] - [ -0.0024821000000000, 0.0010244600000000, -0.0002886200000000 ] - [ -0.0021900000000000, 0.0008895700000000, -0.0003011100000000 ] - [ -0.0024839900000000, 0.0008475400000000, -0.0005198300000000 ] - [ -0.0021927800000000, 0.0008630100000000, -0.0003118600000000 ] - [ -0.0021134800000000, 0.0013560800000000, -0.0010652000000000 ] - [ -0.0008520200000000, 0.0001909100000000, -0.0003052600000000 ] - [ -0.0017670800000000, -0.0000674800000000, 0.0009758400000000 ] - [ -0.0012587100000000, -0.0001224300000000, 0.0004908900000000 ] - [ -0.0025305800000000, 0.0012133200000000, 0.0001335600000000 ] - [ -0.0018723100000000, 0.0004534500000000, 0.0002043200000000 ] - [ -0.0026395100000000, 0.0010940300000000, -0.0006031200000000 ] - [ -0.0014506500000000, 0.0003946700000000, -0.0004029600000000 ] - [ -0.0023208000000000, 0.0013379600000000, 0.0002604700000000 ] - [ -0.0001455500000000, -0.0020446600000000, -0.0021146900000000 ] - [ -0.0006966900000000, 0.0018693000000000, 0.0020552300000000 ] - [ -0.0021644000000000, 0.0004189500000000, 0.0028340900000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0032068200000000, -0.0048411500000000, -0.0039684600000000 ] - [ -0.0004450100000000, 0.0022208900000000, -0.0009979100000000 ] - [ -0.0006782900000000, 0.0000052400000000, 0.0005026900000000 ] - [ 0.0005309000000000, 0.0011362200000000, 0.0000956000000000 ] - [ -0.0025816900000000, 0.0028118300000000, 0.0031864800000000 ] - [ -0.0001312500000000, -0.0022981800000000, 0.0002363900000000 ] - [ -0.0002388000000000, 0.0011620000000000, -0.0014669200000000 ] - [ 0.0001846500000000, -0.0019345700000000, -0.0008709700000000 ] - [ 0.0630639200000000, 0.0428667800000000, 0.0149655600000000 ] - [ 0.0040926100000000, -0.0068107100000000, 0.0011002400000000 ] - [ 0.0001930300000000, 0.0030730600000000, 0.0011752600000000 ] - [ 0.0018911600000000, -0.0025225400000000, 0.0006445500000000 ] - [ -0.0026480400000000, -0.0089619300000000, 0.0109940000000000 ] - [ 0.0067295700000000, 0.0021665900000000, -0.0038898100000000 ] - [ -0.0014469500000000, -0.0081326200000000, -0.0065893300000000 ] - [ 0.0065349000000000, 0.0005330600000000, 0.0010565100000000 ] - [ -0.0035025300000000, 0.0041220900000000, -0.0011933700000000 ] - [ -0.0027340000000000, -0.0035934200000000, 0.0012061200000000 ] - [ 0.0028515400000000, 0.0007692500000000, 0.0005112300000000 ] - [ -0.0001560000000000, -0.0008803900000000, -0.0005657700000000 ] - [ 0.0013191000000000, -0.0008609900000000, -0.0018951900000000 ] - [ -0.0035914000000000, 0.0000042100000000, -0.0039425900000000 ] - [ -0.0000138800000000, -0.0009058100000000, 0.0011600800000000 ] - [ -0.0009777500000000, 0.0010239800000000, 0.0028592300000000 ] - [ -0.0019726200000000, -0.0001925100000000, -0.0005780200000000 ] - [ -0.0027684700000000, 0.0000692900000000, -0.0000905300000000 ] - [ -0.0012551200000000, -0.0005774600000000, 0.0001318500000000 ] - [ -0.0011963500000000, 0.0001451900000000, -0.0000150400000000 ] - [ -0.0016610300000000, 0.0007940800000000, -0.0006289300000000 ] - [ -0.0017083900000000, -0.0007000400000000, -0.0008055700000000 ] - [ -0.0020144300000000, 0.0003962500000000, 0.0002706000000000 ] - [ -0.0020092700000000, -0.0000882100000000, 0.0001667600000000 ] - [ -0.0003324600000000, 0.0136100400000000, -0.0054858500000000 ] - [ 0.0012342200000000, -0.0034104700000000, -0.0017218700000000 ] - [ 0.0014028400000000, 0.0027637900000000, 0.0015879600000000 ] - [ 0.0019430800000000, -0.0036407000000000, 0.0015978400000000 ] - [ 0.0031649900000000, -0.0035487500000000, 0.0004746400000000 ] - [ 0.0099906500000000, 0.0283014000000000, -0.0081299700000000 ] - [ 0.0013961200000000, -0.0011730100000000, 0.0013360800000000 ] - [ -0.0002948600000000, 0.0009436200000000, -0.0000073500000000 ] - [ -0.0008939600000000, -0.0002210900000000, 0.0000494900000000 ] - [ -0.0007070200000000, 0.0001208300000000, -0.0000702400000000 ] - [ -0.0008262600000000, 0.0000281600000000, -0.0003281400000000 ] - [ -0.0005721900000000, 0.0000407800000000, -0.0000877500000000 ] - [ -0.0011740500000000, 0.0002338800000000, -0.0002075900000000 ] - [ -0.0008028300000000, -0.0001954500000000, -0.0000970800000000 ] - [ -0.0005612400000000, 0.0000873800000000, -0.0000713400000000 ] - [ -0.0005215500000000, -0.0000921400000000, -0.0001340500000000 ] - [ 0.0098688400000000, 0.0212815600000000, -0.0166787000000000 ] - [ -0.0040610200000000, 0.0060339400000000, 0.0018556800000000 ] - [ -0.0002465700000000, -0.0006634600000000, 0.0011448100000000 ] - [ -0.0004155300000000, 0.0010690200000000, -0.0013820400000000 ] - [ 0.0002070600000000, 0.0009710300000000, -0.0000741400000000 ] - [ 0.0001038700000000, -0.0015819200000000, 0.0012862000000000 ] - [ -0.0001204100000000, -0.0002209400000000, 0.0005025300000000 ] - [ -0.0003150800000000, -0.0008268600000000, 0.0009316600000000 ] - [ 0.0137673100000000, 0.0095223900000000, -0.0016674600000000 ] - [ -0.0003167800000000, 0.0004061000000000, -0.0000466600000000 ] - [ 0.0004672500000000, 0.0000742300000000, -0.0001136500000000 ] - [ -0.0000263300000000, 0.0005067300000000, 0.0000578500000000 ] - [ 0.0015197100000000, 0.0134962800000000, 0.0152492900000000 ] - [ -0.0017293200000000, 0.0001065800000000, -0.0003740900000000 ] - [ 0.0003799800000000, -0.0020629500000000, -0.0029540700000000 ] - [ -0.0004717300000000, 0.0003472100000000, 0.0001201400000000 ] - [ 0.0011326000000000, 0.0003584000000000, -0.0002802700000000 ] - [ 0.0003778600000000, 0.0005484600000000, -0.0000330600000000 ] - [ 0.0002641300000000, 0.0002078100000000, 0.0000867200000000 ] - [ 0.0002239800000000, 0.0004737700000000, 0.0000856800000000 ] - [ -0.0961836000000000, -0.1023886700000000, 0.0000137700000000 ] - [ -0.0006862600000000, 0.0022090100000000, 0.0001358200000000 ] - [ -0.0012938300000000, -0.0011592200000000, -0.0003733500000000 ] - [ -0.0011569600000000, 0.0009933600000000, -0.0013187500000000 ] - [ 0.0012761500000000, -0.0005195600000000, 0.0003722900000000 ] - [ 0.0002880100000000, -0.0005172800000000, 0.0000385400000000 ] - [ 0.0003343600000000, -0.0003397100000000, -0.0000965200000000 ] - [ 0.0000459600000000, -0.0003430600000000, -0.0000568900000000 ] - [ -0.0015286500000000, -0.0055247200000000, -0.0041221300000000 ] - [ 0.0001193400000000, 0.0033367500000000, 0.0012613800000000 ] - [ -0.0009746000000000, -0.0014193800000000, -0.0007974200000000 ] - [ 0.0005069600000000, 0.0016358300000000, 0.0009995200000000 ] - [ -0.0035217300000000, 0.0034586800000000, -0.0007986200000000 ] - [ -0.0006385400000000, -0.0004145000000000, 0.0052790300000000 ] - [ -0.0026095100000000, 0.0034581700000000, 0.0011073400000000 ] - [ -0.0040303000000000, -0.0004128600000000, -0.0053900500000000 ] - [ 0.0017490300000000, -0.0004415100000000, -0.0013298300000000 ] - [ -0.0002315000000000, -0.0001092600000000, -0.0000827800000000 ] - [ 0.0020763100000000, -0.0007616300000000, 0.0015700000000000 ] - [ -0.0007504400000000, -0.0000557100000000, 0.0002232200000000 ] - [ -0.0007542800000000, 0.0027827400000000, -0.0009385700000000 ] - [ -0.0028436400000000, -0.0085140900000000, 0.0030069400000000 ] - [ 0.0002713100000000, 0.0015066600000000, -0.0019227000000000 ] - [ -0.0006275500000000, -0.0005938800000000, 0.0003398000000000 ] - [ -0.0000257700000000, -0.0005735000000000, -0.0004698900000000 ] - [ -0.0001093200000000, 0.0007700100000000, 0.0006899400000000 ] - [ -0.0002256900000000, 0.0001894300000000, 0.0007655500000000 ] - [ -0.0000327800000000, 0.0021077200000000, 0.0021792800000000 ] - [ 0.0004730800000000, -0.0000701800000000, -0.0000112200000000 ] - [ 0.0004228200000000, 0.0003424200000000, -0.0002989700000000 ] - [ 0.0003179800000000, 0.0003106600000000, -0.0005110800000000 ] - [ 0.0003857000000000, 0.0004808700000000, -0.0005838900000000 ] - [ -0.0008012800000000, -0.0019665400000000, 0.0022335800000000 ] - [ 0.0032938500000000, 0.0009382700000000, 0.0016399000000000 ] - [ -0.0003423700000000, -0.0000117000000000, -0.0000465900000000 ] - [ -0.0001213200000000, -0.0002991400000000, 0.0002401800000000 ] - [ 0.0011476100000000, 0.0013475700000000, 0.0006311400000000 ] - [ 0.0018105000000000, 0.0006041100000000, 0.0000818700000000 ] - [ 0.0010037300000000, 0.0007034700000000, -0.0000798300000000 ] - [ 0.0005120800000000, -0.0003216100000000, -0.0008976700000000 ] - [ 0.0004236600000000, -0.0002045700000000, -0.0003047700000000 ] - [ 0.0005241500000000, -0.0004354900000000, -0.0005309800000000 ] - [ 0.0003066100000000, -0.0000349300000000, -0.0001578300000000 ] - [ 0.0003567200000000, -0.0003334600000000, -0.0002963600000000 ] - [ -0.0012159900000000, 0.0010333900000000, -0.0006688000000000 ] - [ 0.0057226700000000, 0.0001916400000000, 0.0031917700000000 ] - [ -0.0000832800000000, 0.0015543300000000, -0.0011617700000000 ] - [ -0.0010252500000000, -0.0006318500000000, -0.0006998500000000 ] - [ 0.0010894400000000, 0.0003251000000000, 0.0002933200000000 ] - [ 0.0012116200000000, 0.0003255900000000, 0.0002780200000000 ] - [ 0.0007728900000000, 0.0001486100000000, 0.0002672300000000 ] - [ 0.0007425700000000, 0.0001487000000000, 0.0002033300000000 ] - [ 0.0034211100000000, -0.0074342700000000, -0.0014534700000000 ] - [ -0.0013318700000000, 0.0031332500000000, 0.0000248800000000 ] - [ -0.0033102200000000, -0.0022994500000000, -0.0032431700000000 ] - [ -0.0007321800000000, 0.0008094900000000, 0.0003068500000000 ] - [ 0.0000227100000000, 0.0001060800000000, 0.0001522900000000 ] - [ 0.0018416500000000, 0.0008244300000000, 0.0003325400000000 ] - [ 0.0002458400000000, 0.0001679800000000, -0.0002784000000000 ] - [ 0.0005688100000000, 0.0001650200000000, -0.0002744700000000 ] - [ 0.0009208500000000, -0.0002901300000000, 0.0002706000000000 ] - [ 0.0009290400000000, -0.0001949000000000, 0.0002781400000000 ] - [ 0.0010967700000000, -0.0002900100000000, 0.0002910900000000 ] - [ 0.0009520000000000, -0.0001926700000000, 0.0002501800000000 ] - [ 0.0013703200000000, -0.0017555600000000, 0.0012129400000000 ] - [ 0.0006720000000000, -0.0000329600000000, -0.0000990700000000 ] - [ 0.0014601700000000, -0.0007064800000000, -0.0003974600000000 ] - [ 0.0013273600000000, -0.0000385500000000, -0.0006420900000000 ] - [ 0.0010160500000000, -0.0007634400000000, -0.0001487700000000 ] - [ 0.0008312900000000, -0.0001440500000000, -0.0001650900000000 ] - [ -0.0004909200000000, -0.0000417300000000, -0.0000553900000000 ] - [ 0.0003245000000000, -0.0001374300000000, 0.0001178500000000 ] - [ -0.0014303400000000, 0.0009149400000000, 0.0008257100000000 ] - [ -0.0004744900000000, 0.0016975600000000, 0.0023169500000000 ] - [ -0.0001448200000000, -0.0005555800000000, -0.0002107800000000 ] - [ 0.0020350900000000, 0.0006582600000000, -0.0016934700000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0039741400000000, 0.0057838500000000, 0.0033891900000000 ] - [ 0.0011958800000000, -0.0013607300000000, 0.0003848200000000 ] - [ 0.0014130100000000, 0.0008782600000000, -0.0011277100000000 ] - [ 0.0002062200000000, -0.0002668900000000, -0.0007301300000000 ] - [ 0.0033633000000000, -0.0036955000000000, -0.0038556700000000 ] - [ 0.0008592700000000, 0.0014186800000000, -0.0008681700000000 ] - [ 0.0009807300000000, -0.0020433200000000, 0.0008515300000000 ] - [ 0.0005531000000000, 0.0010584100000000, 0.0002554200000000 ] - [ -0.0621991900000000, -0.0431765300000000, -0.0145813800000000 ] - [ -0.0048741700000000, 0.0065967100000000, -0.0011947500000000 ] - [ -0.0009606600000000, -0.0033162200000000, -0.0012376900000000 ] - [ -0.0026630000000000, 0.0022713800000000, -0.0007085800000000 ] - [ 0.0018763500000000, 0.0091789000000000, -0.0110139400000000 ] - [ -0.0075146700000000, -0.0020038300000000, 0.0038219900000000 ] - [ 0.0006908500000000, 0.0084047200000000, 0.0065556900000000 ] - [ -0.0073164300000000, -0.0003149500000000, -0.0011142300000000 ] - [ 0.0042538100000000, -0.0032552400000000, 0.0005729800000000 ] - [ 0.0034928100000000, 0.0044872000000000, -0.0018266600000000 ] - [ -0.0020953900000000, 0.0001061100000000, -0.0011330300000000 ] - [ 0.0009018800000000, 0.0017601100000000, -0.0000601700000000 ] - [ -0.0005772400000000, -0.0000224300000000, 0.0012692000000000 ] - [ 0.0043285900000000, -0.0008994700000000, 0.0033312900000000 ] - [ 0.0007602100000000, 0.0000228000000000, -0.0017900000000000 ] - [ 0.0017238400000000, -0.0019117600000000, -0.0034971100000000 ] - [ 0.0012240400000000, -0.0000500000000000, 0.0005158400000000 ] - [ 0.0020236700000000, -0.0003108400000000, 0.0000272400000000 ] - [ 0.0005042300000000, 0.0003341100000000, -0.0001968700000000 ] - [ 0.0004487200000000, -0.0003852400000000, -0.0000515900000000 ] - [ 0.0009099900000000, -0.0005538200000000, 0.0005612100000000 ] - [ 0.0009580400000000, 0.0009421900000000, 0.0007393600000000 ] - [ 0.0012671300000000, -0.0001545200000000, -0.0003361200000000 ] - [ 0.0012623500000000, 0.0003288200000000, -0.0002308400000000 ] - [ 0.0003983600000000, -0.0135719700000000, 0.0053288200000000 ] - [ -0.0010459600000000, 0.0034127600000000, 0.0017309000000000 ] - [ -0.0012281000000000, -0.0027752200000000, -0.0015799300000000 ] - [ -0.0017593600000000, 0.0036652300000000, -0.0016157200000000 ] - [ -0.0029851100000000, 0.0035679500000000, -0.0004648900000000 ] - [ -0.0107335700000000, -0.0292947600000000, 0.0088427800000000 ] - [ -0.0012078900000000, 0.0011675200000000, -0.0013276300000000 ] - [ 0.0004721100000000, -0.0009394600000000, 0.0000047800000000 ] - [ 0.0010914200000000, 0.0002220400000000, -0.0000480500000000 ] - [ 0.0009021500000000, -0.0001223100000000, 0.0000732900000000 ] - [ 0.0010230400000000, -0.0000311500000000, 0.0003381500000000 ] - [ 0.0007686300000000, -0.0000474400000000, 0.0000938800000000 ] - [ 0.0013767200000000, -0.0002327100000000, 0.0002148500000000 ] - [ 0.0010014200000000, 0.0001983700000000, 0.0001031700000000 ] - [ 0.0007576800000000, -0.0000846600000000, 0.0000741700000000 ] - [ 0.0007132500000000, 0.0000951300000000, 0.0001389500000000 ] - [ -0.0094802300000000, -0.0204991700000000, 0.0158079800000000 ] - [ 0.0042866500000000, -0.0055977600000000, -0.0026024600000000 ] - [ 0.0004054700000000, 0.0011850200000000, -0.0018633200000000 ] - [ 0.0005705300000000, -0.0005475300000000, 0.0006710200000000 ] - [ -0.0008758500000000, -0.0021033200000000, 0.0015822200000000 ] - [ -0.0007759200000000, 0.0004759500000000, 0.0002045700000000 ] - [ -0.0005458400000000, -0.0008962700000000, 0.0009948200000000 ] - [ -0.0003529900000000, -0.0002927600000000, 0.0005685300000000 ] - [ -0.0129302600000000, -0.0088131900000000, 0.0016434800000000 ] - [ 0.0013197000000000, 0.0003420200000000, 0.0000364000000000 ] - [ 0.0005310500000000, 0.0006696200000000, 0.0000971100000000 ] - [ 0.0010283000000000, 0.0002394500000000, -0.0000716300000000 ] - [ -0.0012759600000000, -0.0140205900000000, -0.0159510500000000 ] - [ 0.0018841000000000, -0.0006238800000000, -0.0003283900000000 ] - [ -0.0002255300000000, 0.0015358400000000, 0.0022458700000000 ] - [ 0.0006294200000000, -0.0008561400000000, -0.0008205700000000 ] - [ -0.0017925000000000, -0.0000539600000000, 0.0000901100000000 ] - [ -0.0010204100000000, -0.0002403100000000, -0.0001611900000000 ] - [ -0.0009070700000000, 0.0001011600000000, -0.0002822800000000 ] - [ -0.0008565600000000, -0.0001621800000000, -0.0002765000000000 ] - [ 0.0957595900000000, 0.1031013800000000, -0.0007483700000000 ] - [ 0.0009370000000000, -0.0023143100000000, 0.0000814800000000 ] - [ 0.0015389700000000, 0.0010553200000000, 0.0005870400000000 ] - [ 0.0014150500000000, -0.0010938800000000, 0.0015365700000000 ] - [ -0.0019306000000000, 0.0002089900000000, -0.0005734000000000 ] - [ -0.0009337900000000, 0.0002116100000000, -0.0002332700000000 ] - [ -0.0009771000000000, 0.0000315200000000, -0.0000958800000000 ] - [ -0.0006762400000000, 0.0000283800000000, -0.0001332400000000 ] - [ 0.0011793700000000, 0.0055520500000000, 0.0040704400000000 ] - [ -0.0003671600000000, -0.0033154000000000, -0.0013697200000000 ] - [ 0.0007169000000000, 0.0014385100000000, 0.0006852200000000 ] - [ -0.0007702900000000, -0.0016275000000000, -0.0011158100000000 ] - [ 0.0037490000000000, -0.0033564900000000, 0.0010133300000000 ] - [ 0.0008887800000000, 0.0005408900000000, -0.0050463500000000 ] - [ 0.0028586900000000, -0.0033575100000000, -0.0008940000000000 ] - [ 0.0042967300000000, 0.0005425200000000, 0.0056229100000000 ] - [ -0.0007365500000000, -0.0003176400000000, 0.0013211700000000 ] - [ 0.0012315200000000, -0.0006293000000000, 0.0000680300000000 ] - [ -0.0010771100000000, 0.0000178000000000, -0.0015947600000000 ] - [ 0.0017517800000000, -0.0006841000000000, -0.0002417300000000 ] - [ 0.0004983000000000, -0.0028225700000000, 0.0008355000000000 ] - [ 0.0025609900000000, 0.0084998600000000, -0.0031245400000000 ] - [ -0.0005222200000000, -0.0015178900000000, 0.0018047700000000 ] - [ 0.0003651800000000, 0.0005822400000000, -0.0004479400000000 ] - [ -0.0006466600000000, 0.0017045000000000, 0.0019869500000000 ] - [ -0.0005560500000000, 0.0003479600000000, 0.0008093300000000 ] - [ -0.0004436900000000, 0.0009277300000000, 0.0007257300000000 ] - [ -0.0006360000000000, -0.0010021900000000, -0.0006958800000000 ] - [ -0.0003201400000000, 0.0005877500000000, -0.0006940100000000 ] - [ -0.0002665200000000, 0.0001764700000000, -0.0004087800000000 ] - [ -0.0001644300000000, 0.0002073600000000, -0.0001950800000000 ] - [ -0.0002297900000000, 0.0000388500000000, -0.0001254200000000 ] - [ 0.0001394100000000, 0.0008534000000000, -0.0007409200000000 ] - [ -0.0039687700000000, -0.0020585800000000, -0.0001502100000000 ] - [ -0.0003246900000000, -0.0011046000000000, 0.0015437500000000 ] - [ -0.0005439100000000, -0.0008204000000000, 0.0012600500000000 ] - [ -0.0001563700000000, -0.0006080600000000, -0.0006465400000000 ] - [ -0.0008210300000000, 0.0001331100000000, -0.0001006400000000 ] - [ -0.0000102600000000, 0.0000384600000000, 0.0000667400000000 ] - [ 0.0004770700000000, 0.0010606200000000, 0.0008824600000000 ] - [ -0.0002692000000000, -0.0003153800000000, -0.0004038700000000 ] - [ -0.0003711900000000, -0.0000833100000000, -0.0001746000000000 ] - [ -0.0001496500000000, -0.0004844500000000, -0.0005495200000000 ] - [ -0.0002026200000000, -0.0001847200000000, -0.0004083800000000 ] - [ 0.0005851300000000, -0.0007263600000000, 0.0004803400000000 ] - [ -0.0063460800000000, 0.0001614600000000, -0.0033880400000000 ] - [ -0.0005570800000000, -0.0012461800000000, 0.0009702200000000 ] - [ 0.0003974000000000, 0.0009448400000000, 0.0005101000000000 ] - [ -0.0008505200000000, -0.0004329200000000, -0.0000799600000000 ] - [ -0.0009750000000000, -0.0004331400000000, -0.0000654500000000 ] - [ -0.0005343800000000, -0.0002561300000000, -0.0000555300000000 ] - [ -0.0005101500000000, -0.0002568000000000, 0.0000069900000000 ] - [ -0.0040746600000000, 0.0071761700000000, 0.0012718300000000 ] - [ 0.0006944400000000, -0.0034567200000000, -0.0002150800000000 ] - [ 0.0026537300000000, 0.0019794500000000, 0.0030295600000000 ] - [ 0.0000901300000000, -0.0011194300000000, -0.0005008500000000 ] - [ -0.0002893600000000, -0.0000949500000000, -0.0002625700000000 ] - [ -0.0021090400000000, -0.0008109800000000, -0.0004481000000000 ] - [ -0.0005137600000000, -0.0001585100000000, 0.0001676800000000 ] - [ -0.0008372900000000, -0.0001540900000000, 0.0001633100000000 ] - [ -0.0006757500000000, 0.0003935700000000, -0.0000543700000000 ] - [ -0.0006927200000000, 0.0003029300000000, -0.0000663800000000 ] - [ -0.0008555300000000, 0.0003936800000000, -0.0000784400000000 ] - [ -0.0007263900000000, 0.0003051300000000, -0.0000416700000000 ] - [ -0.0003803700000000, 0.0010166500000000, -0.0012275700000000 ] - [ 0.0003211300000000, -0.0007098300000000, 0.0000857100000000 ] - [ -0.0004700200000000, -0.0000338500000000, 0.0003831700000000 ] - [ -0.0003352900000000, -0.0007042000000000, 0.0006284600000000 ] - [ -0.0012873800000000, 0.0007556900000000, 0.0000381800000000 ] - [ -0.0011015600000000, 0.0001343700000000, 0.0000523200000000 ] - [ 0.0002205700000000, 0.0000303900000000, -0.0000556600000000 ] - [ -0.0005919100000000, 0.0001255700000000, -0.0002284000000000 ] - [ 0.0007630200000000, 0.0002042700000000, 0.0006745500000000 ] - [ -0.0001931700000000, -0.0005796000000000, -0.0008190500000000 ] - [ -0.0005240600000000, 0.0016802300000000, 0.0017163500000000 ] - [ -0.0027186500000000, 0.0004580200000000, 0.0032063800000000 ]- atom: 69 displacement: [ -0.0002521786343742, 0.0000000000000000, 0.0099968197911318 ] forces: - [ -0.0016732500000000, -0.0025864300000000, -0.0016813600000000 ] - [ -0.0032356500000000, 0.0022274600000000, 0.0005033400000000 ] - [ 0.0007532400000000, 0.0004793800000000, -0.0009571600000000 ] - [ 0.0011602500000000, 0.0004348800000000, -0.0013157600000000 ] - [ 0.0021603500000000, 0.0018386200000000, 0.0034881400000000 ] - [ 0.0013032800000000, -0.0010958400000000, 0.0010582200000000 ] - [ -0.0008306700000000, -0.0004657300000000, -0.0021420200000000 ] - [ -0.0003797800000000, -0.0002471700000000, -0.0018030100000000 ] - [ 0.0192939700000000, 0.0081157700000000, 0.0212511000000000 ] - [ 0.0000237500000000, -0.0011721600000000, 0.0047214200000000 ] - [ 0.0008232000000000, 0.0001963200000000, -0.0043647600000000 ] - [ 0.0004214000000000, 0.0006280400000000, -0.0035954400000000 ] - [ 0.0023223000000000, 0.0020928500000000, -0.0011453500000000 ] - [ 0.0082390100000000, -0.0064469400000000, -0.0016561600000000 ] - [ -0.0013187400000000, -0.0045648800000000, -0.0047994700000000 ] - [ -0.0049821800000000, 0.0056660300000000, -0.0050214600000000 ] - [ 0.0030394400000000, -0.0015718300000000, 0.0019242600000000 ] - [ 0.0019428100000000, 0.0012979900000000, -0.0001383300000000 ] - [ -0.0050674600000000, 0.0010280800000000, -0.0036213000000000 ] - [ -0.0001211700000000, 0.0003387400000000, -0.0010483500000000 ] - [ -0.0013130600000000, 0.0012521700000000, 0.0026288000000000 ] - [ -0.0021563900000000, -0.0034833700000000, 0.0013922700000000 ] - [ 0.0001745400000000, 0.0002477800000000, -0.0020615000000000 ] - [ 0.0009460000000000, -0.0009855500000000, -0.0028617800000000 ] - [ -0.0007122400000000, -0.0001899400000000, 0.0004333600000000 ] - [ -0.0006566900000000, -0.0002705200000000, 0.0004634000000000 ] - [ -0.0014082300000000, 0.0005416600000000, -0.0008481900000000 ] - [ -0.0016620200000000, -0.0005624100000000, -0.0005679700000000 ] - [ -0.0017333200000000, 0.0000178900000000, 0.0004397900000000 ] - [ -0.0011585100000000, 0.0000931200000000, 0.0000629500000000 ] - [ -0.0006138700000000, 0.0001127500000000, -0.0005128600000000 ] - [ -0.0006562200000000, 0.0002298700000000, -0.0003830300000000 ] - [ -0.0057489600000000, -0.0048761500000000, -0.0003757800000000 ] - [ 0.0001330300000000, 0.0007145400000000, 0.0010906300000000 ] - [ 0.0024837900000000, -0.0016569600000000, -0.0034658000000000 ] - [ 0.0007093100000000, 0.0009544800000000, -0.0012809400000000 ] - [ 0.0011789000000000, -0.0000537100000000, 0.0019095900000000 ] - [ -0.0071482200000000, -0.0130635100000000, 0.0146020200000000 ] - [ 0.0003178200000000, 0.0020289900000000, -0.0015660800000000 ] - [ -0.0003271600000000, -0.0015412100000000, -0.0038568800000000 ] - [ -0.0002021200000000, 0.0000190900000000, 0.0000978400000000 ] - [ -0.0001047600000000, 0.0000540200000000, 0.0000930500000000 ] - [ -0.0004865500000000, -0.0000289900000000, -0.0003038500000000 ] - [ -0.0004361100000000, -0.0000051000000000, -0.0002773300000000 ] - [ -0.0004876300000000, 0.0001179700000000, 0.0001656400000000 ] - [ -0.0003364700000000, 0.0000696700000000, 0.0001993100000000 ] - [ -0.0003012600000000, -0.0000363000000000, -0.0002501700000000 ] - [ -0.0002213100000000, -0.0000573300000000, -0.0002200300000000 ] - [ -0.0058670300000000, -0.0055177300000000, -0.0020835000000000 ] - [ -0.0007797000000000, 0.0047531000000000, -0.0029149800000000 ] - [ -0.0002061700000000, -0.0007940300000000, 0.0018766200000000 ] - [ -0.0004212000000000, -0.0025093600000000, 0.0029744700000000 ] - [ -0.0001704400000000, 0.0003915500000000, -0.0002004300000000 ] - [ -0.0002163700000000, -0.0002544200000000, -0.0004096100000000 ] - [ -0.0003003000000000, -0.0009479800000000, 0.0013269300000000 ] - [ -0.0002831200000000, -0.0010427900000000, 0.0015145300000000 ] - [ 0.0095932800000000, 0.0050595900000000, 0.0009867500000000 ] - [ 0.0002868600000000, -0.0000838000000000, -0.0008685000000000 ] - [ 0.0002667600000000, 0.0004754700000000, 0.0006126500000000 ] - [ 0.0004466100000000, 0.0005408700000000, 0.0007508700000000 ] - [ 0.0059639800000000, 0.0104389100000000, 0.0074392500000000 ] - [ 0.0006323200000000, -0.0021409300000000, -0.0020041400000000 ] - [ -0.0011979400000000, 0.0002711100000000, 0.0015989300000000 ] - [ -0.0005815100000000, 0.0016000200000000, 0.0014632600000000 ] - [ -0.0004602300000000, -0.0000675700000000, -0.0006909900000000 ] - [ -0.0003530800000000, 0.0001991900000000, -0.0002825800000000 ] - [ 0.0003131200000000, 0.0003240700000000, 0.0002413000000000 ] - [ 0.0002077600000000, 0.0003227300000000, 0.0001950700000000 ] - [ -0.0195170200000000, 0.0029370700000000, -0.0627458400000000 ] - [ 0.0002710000000000, -0.0000028500000000, -0.0008313100000000 ] - [ -0.0001370600000000, -0.0004919900000000, 0.0021126000000000 ] - [ -0.0007364600000000, -0.0014435800000000, 0.0011937200000000 ] - [ 0.0006598400000000, -0.0002744100000000, 0.0001430500000000 ] - [ 0.0008120900000000, -0.0005851900000000, 0.0001503100000000 ] - [ -0.0002476300000000, -0.0001822500000000, -0.0000397300000000 ] - [ -0.0003842300000000, -0.0001404200000000, -0.0000420500000000 ] - [ -0.0082251000000000, -0.0023684200000000, -0.0004772500000000 ] - [ -0.0007853800000000, -0.0006394200000000, -0.0008027300000000 ] - [ 0.0003238700000000, 0.0009004500000000, 0.0015705300000000 ] - [ 0.0002747200000000, 0.0008367400000000, 0.0009404800000000 ] - [ -0.0003671900000000, -0.0010218700000000, 0.0000032200000000 ] - [ -0.0030187800000000, 0.0053985300000000, 0.0108362900000000 ] - [ -0.0009745400000000, 0.0008614100000000, -0.0000176700000000 ] - [ 0.0014751300000000, -0.0051704600000000, 0.0111871700000000 ] - [ -0.0001389700000000, -0.0001899500000000, -0.0001776100000000 ] - [ -0.0009578900000000, 0.0004753800000000, 0.0001091300000000 ] - [ 0.0014149300000000, -0.0004802100000000, 0.0006977300000000 ] - [ 0.0017326400000000, -0.0014449400000000, 0.0003551700000000 ] - [ -0.0000611500000000, 0.0014413700000000, -0.0008629600000000 ] - [ 0.0061648300000000, -0.0029783700000000, 0.0026320400000000 ] - [ -0.0005468300000000, -0.0002753600000000, 0.0005203700000000 ] - [ -0.0011818900000000, -0.0002420000000000, 0.0010565800000000 ] - [ -0.0005732200000000, 0.0001954600000000, 0.0004387600000000 ] - [ -0.0004114200000000, 0.0005818400000000, 0.0006879100000000 ] - [ 0.0003210100000000, 0.0008149700000000, 0.0014127100000000 ] - [ -0.0000391000000000, 0.0013499200000000, 0.0016155400000000 ] - [ 0.0002490300000000, 0.0004950100000000, -0.0007005700000000 ] - [ 0.0002119600000000, 0.0004034500000000, -0.0005703100000000 ] - [ 0.0002822300000000, 0.0000881400000000, -0.0000001400000000 ] - [ 0.0002108800000000, 0.0000146700000000, -0.0000197400000000 ] - [ 0.0003697200000000, 0.0004217900000000, -0.0014181800000000 ] - [ -0.0018052200000000, -0.0001439900000000, -0.0008383200000000 ] - [ -0.0005170900000000, -0.0018272300000000, 0.0025163300000000 ] - [ -0.0003284000000000, -0.0007637200000000, 0.0014479600000000 ] - [ 0.0006574700000000, -0.0001262000000000, -0.0007061100000000 ] - [ 0.0007140200000000, 0.0001446300000000, -0.0007801000000000 ] - [ 0.0006942100000000, 0.0004088500000000, 0.0002582600000000 ] - [ 0.0015916200000000, 0.0017827900000000, 0.0014012200000000 ] - [ 0.0001796700000000, -0.0003083800000000, -0.0004124300000000 ] - [ 0.0001699900000000, -0.0002926200000000, -0.0004053900000000 ] - [ 0.0002633200000000, -0.0003213200000000, -0.0003586500000000 ] - [ 0.0003260600000000, -0.0001075600000000, -0.0002415500000000 ] - [ -0.0004525000000000, -0.0003933100000000, -0.0011713600000000 ] - [ 0.0061209600000000, 0.0033022800000000, -0.0007596500000000 ] - [ -0.0003474300000000, -0.0009138300000000, 0.0010780300000000 ] - [ -0.0005182100000000, -0.0004296000000000, 0.0014961900000000 ] - [ 0.0003839600000000, 0.0000907400000000, 0.0000313100000000 ] - [ 0.0004256700000000, 0.0001087900000000, 0.0000320800000000 ] - [ 0.0007100400000000, 0.0000290000000000, 0.0003615400000000 ] - [ 0.0006827500000000, 0.0000912900000000, 0.0003606700000000 ] - [ -0.0051395500000000, 0.0012938700000000, 0.0008751800000000 ] - [ -0.0011518100000000, -0.0003034200000000, -0.0000140000000000 ] - [ 0.0051317900000000, 0.0028968700000000, 0.0057013800000000 ] - [ -0.0001674500000000, -0.0005679300000000, -0.0003219000000000 ] - [ 0.0002554600000000, 0.0000007000000000, -0.0004457100000000 ] - [ 0.0005526700000000, 0.0004356100000000, -0.0004506900000000 ] - [ 0.0001303400000000, 0.0001078700000000, 0.0002785200000000 ] - [ -0.0000294000000000, 0.0001848200000000, 0.0002847800000000 ] - [ 0.0006846200000000, -0.0001078800000000, 0.0001867000000000 ] - [ 0.0004789500000000, -0.0000707200000000, 0.0001738800000000 ] - [ 0.0004520600000000, -0.0000900300000000, 0.0001789200000000 ] - [ 0.0004634000000000, -0.0000960000000000, 0.0001715800000000 ] - [ 0.0012428200000000, -0.0001770800000000, -0.0004754600000000 ] - [ 0.0008820600000000, -0.0007083500000000, 0.0000030500000000 ] - [ 0.0002401400000000, -0.0004320200000000, 0.0003956200000000 ] - [ 0.0005088800000000, -0.0007112800000000, 0.0003603300000000 ] - [ -0.0004422600000000, 0.0002055800000000, -0.0000687200000000 ] - [ -0.0003458400000000, 0.0000733200000000, -0.0000869500000000 ] - [ 0.0016643200000000, -0.0006529200000000, 0.0002882100000000 ] - [ 0.0001845200000000, -0.0000757400000000, -0.0000072400000000 ] - [ 0.0023344000000000, -0.0006986700000000, 0.0006974100000000 ] - [ -0.0002518800000000, 0.0011703300000000, 0.0010236900000000 ] - [ -0.0006965300000000, 0.0011009100000000, 0.0012920400000000 ] - [ -0.0012225900000000, 0.0007529200000000, 0.0017632400000000 ]- atom: 69 displacement: [ 0.0002521786343742, 0.0000000000000000, -0.0099968197911318 ] forces: - [ 0.0024516500000000, 0.0035501000000000, 0.0011217700000000 ] - [ 0.0039978400000000, -0.0013678400000000, -0.0011179200000000 ] - [ -0.0000148800000000, 0.0004038200000000, 0.0003248700000000 ] - [ -0.0004316400000000, 0.0004377200000000, 0.0006826200000000 ] - [ -0.0013979100000000, -0.0027603300000000, -0.0041828300000000 ] - [ -0.0005675700000000, 0.0002313400000000, -0.0016991200000000 ] - [ 0.0015719500000000, -0.0004176800000000, 0.0015314600000000 ] - [ 0.0011137600000000, -0.0006264100000000, 0.0011912600000000 ] - [ -0.0205166400000000, -0.0085343000000000, -0.0219013600000000 ] - [ -0.0008037500000000, 0.0009386100000000, -0.0047956600000000 ] - [ -0.0016044500000000, -0.0004494300000000, 0.0043026800000000 ] - [ -0.0012027200000000, -0.0008587300000000, 0.0035315900000000 ] - [ -0.0031025500000000, -0.0018319400000000, 0.0010383900000000 ] - [ -0.0091040100000000, 0.0067272300000000, 0.0015464000000000 ] - [ 0.0005467700000000, 0.0048241600000000, 0.0047551700000000 ] - [ 0.0041785900000000, -0.0054274500000000, 0.0049878000000000 ] - [ -0.0022865600000000, 0.0024489900000000, -0.0025494700000000 ] - [ -0.0012000300000000, -0.0004192000000000, -0.0004869000000000 ] - [ 0.0058380000000000, -0.0001407200000000, 0.0030151800000000 ] - [ 0.0008699000000000, 0.0005388800000000, 0.0004254300000000 ] - [ 0.0020745300000000, -0.0021502500000000, -0.0032725800000000 ] - [ 0.0028857600000000, 0.0025958000000000, -0.0020223500000000 ] - [ 0.0005714100000000, -0.0011345400000000, 0.0014429000000000 ] - [ -0.0001998900000000, 0.0001121300000000, 0.0022451700000000 ] - [ -0.0000357900000000, -0.0000533100000000, -0.0004990200000000 ] - [ -0.0000918900000000, 0.0000305600000000, -0.0005291500000000 ] - [ 0.0006616300000000, -0.0007882300000000, 0.0007867300000000 ] - [ 0.0009188400000000, 0.0003247000000000, 0.0005031700000000 ] - [ 0.0009878500000000, 0.0002251800000000, -0.0005109500000000 ] - [ 0.0004107100000000, 0.0001472100000000, -0.0001322100000000 ] - [ -0.0001325500000000, 0.0001288400000000, 0.0004493700000000 ] - [ -0.0000925800000000, 0.0000107800000000, 0.0003209700000000 ] - [ 0.0056615000000000, 0.0051373900000000, -0.0001055500000000 ] - [ 0.0000497300000000, -0.0007115700000000, -0.0010874800000000 ] - [ -0.0022948000000000, 0.0016452400000000, 0.0034680500000000 ] - [ -0.0005235500000000, -0.0009496900000000, 0.0012880500000000 ] - [ -0.0010069500000000, 0.0000622900000000, -0.0019208100000000 ] - [ 0.0070506500000000, 0.0127390900000000, -0.0145655000000000 ] - [ -0.0001334300000000, -0.0020515300000000, 0.0015837400000000 ] - [ 0.0005348000000000, 0.0015489600000000, 0.0038852300000000 ] - [ 0.0004014100000000, -0.0000201300000000, -0.0000966100000000 ] - [ 0.0003003000000000, -0.0000548000000000, -0.0000916800000000 ] - [ 0.0006850000000000, 0.0000268000000000, 0.0003149600000000 ] - [ 0.0006331000000000, 0.0000002900000000, 0.0002839000000000 ] - [ 0.0006916600000000, -0.0001198700000000, -0.0001603700000000 ] - [ 0.0005359100000000, -0.0000654600000000, -0.0001931100000000 ] - [ 0.0004992600000000, 0.0000387700000000, 0.0002528800000000 ] - [ 0.0004135700000000, 0.0000611000000000, 0.0002247900000000 ] - [ 0.0060488700000000, 0.0060502900000000, 0.0014562400000000 ] - [ 0.0009379300000000, -0.0042540600000000, 0.0022392700000000 ] - [ 0.0003681600000000, 0.0013137300000000, -0.0025874900000000 ] - [ 0.0005777700000000, 0.0030239500000000, -0.0036817000000000 ] - [ -0.0005014700000000, -0.0015326100000000, 0.0017111000000000 ] - [ -0.0004540600000000, -0.0008506600000000, 0.0019047600000000 ] - [ -0.0003657000000000, -0.0001699400000000, 0.0001716200000000 ] - [ -0.0003832600000000, -0.0000745100000000, -0.0000177800000000 ] - [ -0.0088306300000000, -0.0044447800000000, -0.0009541100000000 ] - [ 0.0007126300000000, 0.0008306700000000, 0.0008564800000000 ] - [ 0.0007351800000000, 0.0002715700000000, -0.0006290600000000 ] - [ 0.0005578400000000, 0.0002038800000000, -0.0007668900000000 ] - [ -0.0056998100000000, -0.0108934800000000, -0.0081705700000000 ] - [ -0.0004685900000000, 0.0016215500000000, 0.0012987400000000 ] - [ 0.0013570900000000, -0.0007834300000000, -0.0022946700000000 ] - [ 0.0007486200000000, -0.0021309900000000, -0.0021709500000000 ] - [ -0.0001931400000000, 0.0003775300000000, 0.0005064100000000 ] - [ -0.0002924400000000, 0.0001069700000000, 0.0000881300000000 ] - [ -0.0009571900000000, -0.0000148600000000, -0.0004384000000000 ] - [ -0.0008408600000000, -0.0000108100000000, -0.0003868800000000 ] - [ 0.0208587100000000, -0.0026673900000000, 0.0639971600000000 ] - [ -0.0000148600000000, -0.0000990900000000, 0.0010512000000000 ] - [ 0.0003853800000000, 0.0003960800000000, -0.0019061200000000 ] - [ 0.0009918900000000, 0.0013457600000000, -0.0009832600000000 ] - [ -0.0013174900000000, -0.0000340600000000, -0.0003455500000000 ] - [ -0.0014565300000000, 0.0002794500000000, -0.0003452600000000 ] - [ -0.0003969300000000, -0.0001248400000000, -0.0001527100000000 ] - [ -0.0002438900000000, -0.0001749400000000, -0.0001478500000000 ] - [ 0.0080218400000000, 0.0024141600000000, 0.0004090200000000 ] - [ 0.0005298000000000, 0.0006542800000000, 0.0006940900000000 ] - [ -0.0005789600000000, -0.0008839500000000, -0.0016895200000000 ] - [ -0.0005329000000000, -0.0008259200000000, -0.0010576500000000 ] - [ 0.0006340900000000, 0.0011172900000000, 0.0002156400000000 ] - [ 0.0032954800000000, -0.0054009400000000, -0.0108959200000000 ] - [ 0.0012261500000000, -0.0007664700000000, 0.0002253500000000 ] - [ -0.0012038300000000, 0.0051916400000000, -0.0107713200000000 ] - [ 0.0011386700000000, -0.0005588100000000, 0.0001765600000000 ] - [ 0.0019681600000000, -0.0012259300000000, -0.0001210300000000 ] - [ -0.0004152800000000, -0.0002636800000000, -0.0007273400000000 ] - [ -0.0007305600000000, 0.0007029600000000, -0.0003775700000000 ] - [ -0.0001903500000000, -0.0014655800000000, 0.0007477100000000 ] - [ -0.0064193200000000, 0.0030008700000000, -0.0027955200000000 ] - [ 0.0002905900000000, 0.0002527400000000, -0.0006234500000000 ] - [ 0.0009309500000000, 0.0002307100000000, -0.0011701900000000 ] - [ -0.0000951000000000, 0.0009387800000000, 0.0010800200000000 ] - [ -0.0002549600000000, 0.0005359900000000, 0.0008122800000000 ] - [ -0.0009903300000000, 0.0003015000000000, 0.0000753400000000 ] - [ -0.0006296200000000, -0.0002519700000000, -0.0001381800000000 ] - [ -0.0000968400000000, 0.0000203700000000, -0.0000022900000000 ] - [ -0.0000561500000000, 0.0001150200000000, -0.0001367900000000 ] - [ -0.0001296900000000, 0.0004305100000000, -0.0007076400000000 ] - [ -0.0000553200000000, 0.0005066600000000, -0.0006921800000000 ] - [ -0.0010393700000000, -0.0015401700000000, 0.0029219600000000 ] - [ 0.0011405100000000, -0.0009677500000000, 0.0023339700000000 ] - [ -0.0001477600000000, 0.0007186400000000, -0.0010289500000000 ] - [ -0.0003375200000000, -0.0003541700000000, 0.0000461200000000 ] - [ 0.0003335800000000, 0.0008718900000000, 0.0006965600000000 ] - [ 0.0002777900000000, 0.0005958600000000, 0.0007650000000000 ] - [ 0.0002990900000000, 0.0003330600000000, -0.0002735500000000 ] - [ -0.0006070200000000, -0.0010516600000000, -0.0014246500000000 ] - [ -0.0000254400000000, -0.0002105500000000, -0.0002962800000000 ] - [ -0.0000169900000000, -0.0002264000000000, -0.0003013600000000 ] - [ -0.0001069400000000, -0.0001968100000000, -0.0003484900000000 ] - [ -0.0001734200000000, -0.0004105000000000, -0.0004636100000000 ] - [ -0.0001818200000000, 0.0007100400000000, 0.0009870800000000 ] - [ -0.0067446700000000, -0.0029698400000000, 0.0005877200000000 ] - [ -0.0002904200000000, 0.0012298400000000, -0.0012758800000000 ] - [ -0.0001201500000000, 0.0007446700000000, -0.0016968600000000 ] - [ -0.0001456100000000, -0.0001985400000000, 0.0001819700000000 ] - [ -0.0001889000000000, -0.0002168800000000, 0.0001808700000000 ] - [ -0.0004737600000000, -0.0001366400000000, -0.0001514300000000 ] - [ -0.0004512100000000, -0.0001994800000000, -0.0001514200000000 ] - [ 0.0044626500000000, -0.0016210100000000, -0.0010549400000000 ] - [ 0.0005183200000000, -0.0000129300000000, -0.0001788300000000 ] - [ -0.0057947100000000, -0.0032236300000000, -0.0059183800000000 ] - [ -0.0004762400000000, 0.0002594900000000, 0.0001275100000000 ] - [ -0.0005257000000000, 0.0000104800000000, 0.0003368400000000 ] - [ -0.0008175300000000, -0.0004219900000000, 0.0003389500000000 ] - [ -0.0003984000000000, -0.0000981400000000, -0.0003913300000000 ] - [ -0.0002389300000000, -0.0001743900000000, -0.0003989900000000 ] - [ -0.0004415900000000, 0.0002125400000000, 0.0000292000000000 ] - [ -0.0002417500000000, 0.0001793800000000, 0.0000381300000000 ] - [ -0.0002114500000000, 0.0001947700000000, 0.0000331800000000 ] - [ -0.0002371600000000, 0.0002084700000000, 0.0000360800000000 ] - [ -0.0002533700000000, -0.0005662100000000, 0.0004650700000000 ] - [ 0.0001078200000000, -0.0000296900000000, -0.0000182500000000 ] - [ 0.0007471800000000, -0.0003083900000000, -0.0004090500000000 ] - [ 0.0004858700000000, -0.0000291700000000, -0.0003764500000000 ] - [ 0.0001715000000000, -0.0002156500000000, -0.0000431300000000 ] - [ 0.0000788800000000, -0.0000829500000000, -0.0000265400000000 ] - [ -0.0019426900000000, 0.0006436800000000, -0.0004013000000000 ] - [ -0.0004526200000000, 0.0000645600000000, -0.0001035400000000 ] - [ -0.0030233800000000, 0.0018244400000000, 0.0007971900000000 ] - [ -0.0004159500000000, -0.0000520600000000, 0.0004763000000000 ] - [ 0.0000293600000000, 0.0000181100000000, 0.0002073400000000 ] - [ 0.0005581900000000, 0.0003619400000000, -0.0002690100000000 ]- atom: 77 displacement: [ 0.0099999998410115, 0.0000000000000000, -0.0000017831910382 ] forces: - [ 0.0039851800000000, -0.0046554300000000, -0.0044954300000000 ] - [ 0.0092294800000000, 0.0093429200000000, -0.0120472400000000 ] - [ 0.0033208600000000, -0.0030431500000000, 0.0055223100000000 ] - [ 0.0075100500000000, 0.0084571500000000, 0.0084328700000000 ] - [ 0.0065834000000000, -0.0021599900000000, -0.0143302600000000 ] - [ 0.0048412400000000, 0.0001284500000000, 0.0002651700000000 ] - [ 0.0043828500000000, -0.0019484100000000, -0.0002791100000000 ] - [ 0.0043683400000000, -0.0000403000000000, -0.0004127200000000 ] - [ 0.0276038300000000, 0.0071244600000000, -0.0021857900000000 ] - [ 0.0066988800000000, -0.0056123700000000, 0.0059168900000000 ] - [ 0.0041532700000000, 0.0007334900000000, -0.0008019400000000 ] - [ 0.0055582000000000, -0.0046035200000000, -0.0060854500000000 ] - [ 0.0099930800000000, 0.0009992100000000, -0.0044370100000000 ] - [ 0.0292414500000000, 0.0130042500000000, 0.0077478000000000 ] - [ 0.0050482700000000, 0.0034383200000000, 0.0034011700000000 ] - [ 0.0039387800000000, 0.0002325400000000, 0.0013564300000000 ] - [ -0.0033857000000000, 0.0008531200000000, -0.0004297300000000 ] - [ -0.0028879900000000, 0.0000997700000000, -0.0005716600000000 ] - [ -0.0033145000000000, 0.0009219500000000, -0.0011350700000000 ] - [ -0.0026029500000000, 0.0000111600000000, -0.0006122700000000 ] - [ -0.0031901900000000, -0.0001290400000000, -0.0004754100000000 ] - [ -0.0036392300000000, -0.0009726100000000, -0.0008025900000000 ] - [ -0.0024002800000000, -0.0003600100000000, -0.0006039800000000 ] - [ -0.0030679100000000, -0.0004533100000000, -0.0009916200000000 ] - [ -0.0048587800000000, -0.0010563700000000, -0.0009289700000000 ] - [ -0.0038471400000000, 0.0003665000000000, -0.0002666500000000 ] - [ -0.0031692900000000, -0.0001499400000000, -0.0001706700000000 ] - [ -0.0033006700000000, 0.0001150700000000, -0.0001814700000000 ] - [ -0.0043154600000000, 0.0006404700000000, -0.0000547700000000 ] - [ -0.0037294300000000, -0.0002148400000000, 0.0000026700000000 ] - [ -0.0042565500000000, 0.0004374000000000, -0.0011831100000000 ] - [ -0.0030283000000000, -0.0002166100000000, -0.0006527500000000 ] - [ -0.0060138700000000, 0.0026243800000000, -0.0014791000000000 ] - [ -0.0017468200000000, -0.0012337500000000, -0.0004251100000000 ] - [ -0.0006035400000000, 0.0000273500000000, 0.0003059600000000 ] - [ -0.0007384400000000, -0.0003741700000000, -0.0001492100000000 ] - [ -0.0013660800000000, 0.0009433300000000, 0.0001206500000000 ] - [ -0.0031787700000000, -0.0024646200000000, 0.0019977400000000 ] - [ -0.0007077900000000, -0.0001035700000000, -0.0002268600000000 ] - [ -0.0026545200000000, 0.0007909900000000, -0.0034269500000000 ] - [ -0.0041466200000000, -0.0039338500000000, 0.0033770900000000 ] - [ -0.0019516800000000, 0.0017654600000000, -0.0000068700000000 ] - [ -0.0002927300000000, -0.0003045500000000, -0.0006792500000000 ] - [ -0.0007447000000000, 0.0005884700000000, -0.0009004800000000 ] - [ -0.0039860000000000, -0.0006840100000000, -0.0051023100000000 ] - [ -0.0009497800000000, 0.0004482000000000, -0.0001354000000000 ] - [ -0.0010723100000000, -0.0004175800000000, 0.0009803800000000 ] - [ -0.0005595400000000, -0.0001575800000000, 0.0005087200000000 ] - [ 0.0006918200000000, -0.0138999900000000, 0.0022531800000000 ] - [ 0.0019014900000000, 0.0133003600000000, -0.0075821900000000 ] - [ -0.0005733600000000, 0.0005934000000000, -0.0012105100000000 ] - [ -0.0006843500000000, -0.0002634800000000, 0.0005341800000000 ] - [ -0.0011207800000000, 0.0007129600000000, 0.0003349100000000 ] - [ 0.0150896500000000, -0.0133233200000000, 0.0230960600000000 ] - [ -0.0008702800000000, 0.0006246300000000, -0.0005562100000000 ] - [ -0.0010947500000000, 0.0001554900000000, -0.0010938100000000 ] - [ -0.0022516800000000, 0.0106576300000000, 0.0121543600000000 ] - [ -0.0036586700000000, -0.0023472000000000, -0.0008831000000000 ] - [ -0.0019667900000000, -0.0006078700000000, -0.0007002900000000 ] - [ -0.0031432300000000, -0.0020028600000000, -0.0009506400000000 ] - [ 0.0020013700000000, -0.0119336400000000, -0.0130818400000000 ] - [ -0.0005787100000000, -0.0005480400000000, -0.0020076300000000 ] - [ -0.0013821500000000, -0.0007550700000000, 0.0003603500000000 ] - [ 0.0017999700000000, 0.0157882300000000, 0.0167605100000000 ] - [ 0.0290262400000000, 0.0135778800000000, 0.0099401100000000 ] - [ -0.0011637400000000, -0.0006701400000000, -0.0003344600000000 ] - [ -0.0010115900000000, 0.0001224200000000, -0.0003506800000000 ] - [ -0.0013809800000000, -0.0003752300000000, -0.0001778100000000 ] - [ 0.0107002700000000, -0.0014010400000000, -0.0076928800000000 ] - [ 0.0000569200000000, 0.0001965800000000, -0.0005534000000000 ] - [ -0.0010556900000000, -0.0008988800000000, 0.0005310400000000 ] - [ 0.0005207800000000, 0.0005888900000000, 0.0005215800000000 ] - [ -0.0012752200000000, 0.0011046800000000, 0.0011147200000000 ] - [ 0.0012039700000000, -0.0017412600000000, 0.0008617800000000 ] - [ -0.0012756200000000, 0.0005837900000000, -0.0015915500000000 ] - [ -0.0001254500000000, -0.0014074600000000, -0.0007322300000000 ] - [ -0.1332846900000000, -0.0401495400000000, -0.0030832100000000 ] - [ -0.0037587200000000, -0.0002037100000000, 0.0002318900000000 ] - [ -0.0025081700000000, -0.0008556600000000, -0.0002753400000000 ] - [ -0.0035340900000000, -0.0009903900000000, 0.0007142400000000 ] - [ -0.0007970900000000, 0.0006754700000000, 0.0001496700000000 ] - [ 0.0122463000000000, 0.0027162600000000, 0.0066659800000000 ] - [ -0.0001215900000000, -0.0003460900000000, -0.0003177000000000 ] - [ -0.0009376000000000, 0.0005455700000000, -0.0009756800000000 ] - [ -0.0039055000000000, 0.0119556800000000, -0.0070881000000000 ] - [ -0.0039039800000000, -0.0027973200000000, -0.0019580500000000 ] - [ -0.0025344200000000, 0.0007424200000000, 0.0004024100000000 ] - [ -0.0025377800000000, -0.0003844800000000, 0.0015236200000000 ] - [ -0.0036347600000000, 0.0015964400000000, -0.0001437000000000 ] - [ -0.0059150300000000, 0.0032107100000000, -0.0028613600000000 ] - [ -0.0036362100000000, 0.0022077800000000, -0.0006430900000000 ] - [ -0.0059249500000000, -0.0010071400000000, 0.0022166700000000 ] - [ 0.0086962300000000, -0.0071470600000000, -0.0137353900000000 ] - [ -0.0007875700000000, 0.0013984500000000, 0.0005012400000000 ] - [ -0.0015062700000000, 0.0016973300000000, 0.0027041400000000 ] - [ -0.0011542000000000, 0.0017396800000000, 0.0022171300000000 ] - [ 0.0009391400000000, 0.0000585300000000, -0.0003339100000000 ] - [ 0.0010405900000000, 0.0006634100000000, -0.0005025800000000 ] - [ 0.0006531400000000, -0.0000411400000000, -0.0000283500000000 ] - [ 0.0006255100000000, 0.0003188400000000, -0.0003454300000000 ] - [ 0.0005562700000000, -0.0006645700000000, 0.0007029100000000 ] - [ 0.0004995200000000, -0.0003213500000000, 0.0006416000000000 ] - [ 0.0001958100000000, -0.0008664700000000, 0.0010936200000000 ] - [ 0.0005341000000000, -0.0004410900000000, 0.0008543100000000 ] - [ 0.0024249900000000, 0.0011933900000000, 0.0000213800000000 ] - [ 0.0021940100000000, 0.0009567000000000, -0.0000303500000000 ] - [ 0.0018762500000000, 0.0009960800000000, 0.0001001500000000 ] - [ 0.0020342500000000, 0.0010205000000000, 0.0001507600000000 ] - [ 0.0005650700000000, 0.0002329600000000, 0.0002138200000000 ] - [ 0.0011701300000000, -0.0004176000000000, -0.0001271300000000 ] - [ 0.0009158700000000, -0.0002948700000000, -0.0006276600000000 ] - [ 0.0008240000000000, -0.0004637300000000, -0.0005776200000000 ] - [ 0.0014970900000000, 0.0008107500000000, 0.0001119200000000 ] - [ 0.0024574800000000, 0.0014741000000000, 0.0001909200000000 ] - [ 0.0009979100000000, 0.0006630700000000, 0.0001348900000000 ] - [ 0.0017806900000000, 0.0001731000000000, 0.0010588100000000 ] - [ 0.0043323400000000, 0.0019333800000000, 0.0009031600000000 ] - [ 0.0017413800000000, 0.0001035200000000, 0.0005398800000000 ] - [ 0.0014912800000000, 0.0006537000000000, 0.0002456200000000 ] - [ 0.0014903300000000, 0.0003279800000000, 0.0004063800000000 ] - [ 0.0019505700000000, -0.0011218900000000, -0.0002905100000000 ] - [ 0.0014501200000000, -0.0009900300000000, -0.0000399200000000 ] - [ 0.0023046300000000, -0.0010336000000000, 0.0007189900000000 ] - [ 0.0010389900000000, -0.0003307000000000, 0.0003259000000000 ] - [ 0.0016042700000000, 0.0006075300000000, -0.0001020700000000 ] - [ 0.0016026600000000, 0.0007296500000000, -0.0000480700000000 ] - [ 0.0014117700000000, 0.0007690600000000, 0.0002321000000000 ] - [ 0.0014103500000000, 0.0005968300000000, 0.0000572700000000 ] - [ 0.0025364400000000, -0.0011063800000000, -0.0001399700000000 ] - [ 0.0018717900000000, -0.0009175600000000, -0.0000635200000000 ] - [ 0.0026505600000000, 0.0004098100000000, 0.0019850500000000 ] - [ 0.0014419700000000, -0.0004054200000000, 0.0004576900000000 ] - [ 0.0022338000000000, -0.0011272000000000, 0.0000717600000000 ] - [ 0.0020278300000000, -0.0010023400000000, 0.0000294100000000 ] - [ 0.0024318800000000, -0.0011854500000000, 0.0002062400000000 ] - [ 0.0018626400000000, -0.0008214800000000, 0.0000213300000000 ] - [ 0.0016297500000000, -0.0008542100000000, 0.0001503100000000 ] - [ 0.0013471000000000, -0.0006610800000000, 0.0000924600000000 ] - [ 0.0016299700000000, -0.0006677800000000, -0.0000853100000000 ] - [ 0.0013477300000000, -0.0004961200000000, -0.0000817000000000 ] - [ 0.0006129800000000, 0.0003552200000000, 0.0008282500000000 ] - [ 0.0003403000000000, 0.0008278300000000, 0.0009861300000000 ] - [ 0.0003618300000000, 0.0004317500000000, 0.0006167500000000 ] - [ 0.0003740300000000, 0.0006837300000000, 0.0007968000000000 ]- atom: 77 displacement: [ -0.0099999998410115, 0.0000000000000000, 0.0000017831910382 ] forces: - [ -0.0031920900000000, 0.0055248800000000, 0.0038701100000000 ] - [ -0.0083353400000000, -0.0083750000000000, 0.0113360800000000 ] - [ -0.0025552200000000, 0.0038847100000000, -0.0060983600000000 ] - [ -0.0066294500000000, -0.0074713900000000, -0.0090061400000000 ] - [ -0.0036911100000000, 0.0026941000000000, 0.0133681000000000 ] - [ -0.0040298100000000, -0.0010684800000000, -0.0008550500000000 ] - [ -0.0035948300000000, 0.0010534600000000, -0.0003451000000000 ] - [ -0.0035933800000000, -0.0008342000000000, -0.0002094200000000 ] - [ -0.0283480400000000, -0.0068907300000000, 0.0029100600000000 ] - [ -0.0074297600000000, 0.0053214800000000, -0.0059471400000000 ] - [ -0.0049102600000000, -0.0009254900000000, 0.0006885100000000 ] - [ -0.0062879000000000, 0.0043378000000000, 0.0059922200000000 ] - [ -0.0106772200000000, -0.0007288900000000, 0.0043443400000000 ] - [ -0.0299522100000000, -0.0137736500000000, -0.0086899900000000 ] - [ -0.0057808300000000, -0.0031682300000000, -0.0034516100000000 ] - [ -0.0046952200000000, -0.0000217500000000, -0.0013928500000000 ] - [ 0.0041022800000000, 0.0000244700000000, -0.0001967700000000 ] - [ 0.0036026700000000, 0.0007795900000000, -0.0000574500000000 ] - [ 0.0040272300000000, -0.0000384800000000, 0.0005061100000000 ] - [ 0.0033196700000000, 0.0008674400000000, -0.0000147300000000 ] - [ 0.0039019800000000, -0.0007524600000000, -0.0001509100000000 ] - [ 0.0043535100000000, 0.0000925200000000, 0.0001775300000000 ] - [ 0.0031162800000000, -0.0005221100000000, -0.0000255100000000 ] - [ 0.0037824300000000, -0.0004270100000000, 0.0003594300000000 ] - [ 0.0040646400000000, 0.0008039200000000, 0.0008560200000000 ] - [ 0.0030657700000000, -0.0006019100000000, 0.0002000300000000 ] - [ 0.0023902400000000, -0.0000935700000000, 0.0001043100000000 ] - [ 0.0025234100000000, -0.0003518500000000, 0.0001135700000000 ] - [ 0.0035245400000000, -0.0003927800000000, -0.0000128800000000 ] - [ 0.0029484100000000, 0.0004536800000000, -0.0000672900000000 ] - [ 0.0034681300000000, -0.0001932900000000, 0.0011047100000000 ] - [ 0.0022543700000000, 0.0004533100000000, 0.0005825700000000 ] - [ 0.0061812400000000, -0.0026305400000000, 0.0014998000000000 ] - [ 0.0019184100000000, 0.0012237500000000, 0.0004260800000000 ] - [ 0.0007806100000000, -0.0000326300000000, -0.0003065100000000 ] - [ 0.0009187300000000, 0.0003740600000000, 0.0001512600000000 ] - [ 0.0015410300000000, -0.0009385400000000, -0.0001166200000000 ] - [ 0.0033640300000000, 0.0024846700000000, -0.0019977600000000 ] - [ 0.0008870000000000, 0.0001030800000000, 0.0002283900000000 ] - [ 0.0028293900000000, -0.0007828500000000, 0.0034291800000000 ] - [ 0.0042991800000000, 0.0038864300000000, -0.0033414500000000 ] - [ 0.0021295600000000, -0.0017447500000000, 0.0000085400000000 ] - [ 0.0004859900000000, 0.0002976400000000, 0.0006807600000000 ] - [ 0.0009320000000000, -0.0005863100000000, 0.0008943900000000 ] - [ 0.0041368000000000, 0.0006764900000000, 0.0050459800000000 ] - [ 0.0011388300000000, -0.0004365800000000, 0.0001448200000000 ] - [ 0.0012557900000000, 0.0004130000000000, -0.0009653700000000 ] - [ 0.0007474300000000, 0.0001587700000000, -0.0005002000000000 ] - [ -0.0005101400000000, 0.0144378100000000, -0.0029394000000000 ] - [ -0.0017105000000000, -0.0127472100000000, 0.0068491100000000 ] - [ 0.0007273800000000, -0.0000821500000000, 0.0005087000000000 ] - [ 0.0008365400000000, 0.0007893500000000, -0.0012432600000000 ] - [ 0.0004424700000000, -0.0018149900000000, 0.0011554900000000 ] - [ -0.0154437300000000, 0.0119588200000000, -0.0211619800000000 ] - [ 0.0001976200000000, -0.0017307900000000, 0.0020445100000000 ] - [ 0.0004140200000000, -0.0012722900000000, 0.0025772300000000 ] - [ 0.0031633000000000, -0.0098750800000000, -0.0120942200000000 ] - [ 0.0046161000000000, 0.0030710000000000, 0.0008446700000000 ] - [ 0.0029382600000000, 0.0013398200000000, 0.0006813200000000 ] - [ 0.0041088500000000, 0.0027284900000000, 0.0009344100000000 ] - [ -0.0019043400000000, 0.0113490900000000, 0.0123045500000000 ] - [ 0.0007337100000000, 0.0000351200000000, 0.0012990600000000 ] - [ 0.0015311300000000, 0.0002156100000000, -0.0010644500000000 ] - [ -0.0017393600000000, -0.0162679900000000, -0.0173960400000000 ] - [ -0.0291756200000000, -0.0131189000000000, -0.0099571700000000 ] - [ 0.0004977100000000, 0.0009674500000000, 0.0001338000000000 ] - [ 0.0003615100000000, 0.0001870900000000, 0.0001531100000000 ] - [ 0.0007368000000000, 0.0006808100000000, -0.0000124800000000 ] - [ -0.0106551200000000, 0.0013034300000000, 0.0080206800000000 ] - [ 0.0002003300000000, -0.0002908900000000, 0.0007653200000000 ] - [ 0.0013013800000000, 0.0007898500000000, -0.0003130600000000 ] - [ -0.0002689000000000, -0.0006902800000000, -0.0003069100000000 ] - [ 0.0006133800000000, -0.0013992400000000, -0.0013002300000000 ] - [ -0.0018294700000000, 0.0014098100000000, -0.0010443600000000 ] - [ 0.0006181700000000, -0.0008812200000000, 0.0013837000000000 ] - [ -0.0005093400000000, 0.0010768400000000, 0.0005370000000000 ] - [ 0.1302848200000000, 0.0391927800000000, 0.0030460500000000 ] - [ 0.0034801800000000, 0.0002238000000000, -0.0003413600000000 ] - [ 0.0022240000000000, 0.0008618900000000, 0.0001654100000000 ] - [ 0.0032411100000000, 0.0009920200000000, -0.0008223000000000 ] - [ 0.0010400800000000, -0.0005743500000000, 0.0000652700000000 ] - [ -0.0120681900000000, -0.0026874100000000, -0.0065365700000000 ] - [ 0.0003689500000000, 0.0004504700000000, 0.0005317500000000 ] - [ 0.0011924200000000, -0.0004453900000000, 0.0011917600000000 ] - [ 0.0048116100000000, -0.0125562000000000, 0.0069842500000000 ] - [ 0.0048111100000000, 0.0021316500000000, 0.0019728200000000 ] - [ 0.0035086500000000, -0.0014762900000000, -0.0004199000000000 ] - [ 0.0035048300000000, -0.0003561300000000, -0.0015248000000000 ] - [ 0.0033496400000000, -0.0016004200000000, 0.0000306100000000 ] - [ 0.0056307200000000, -0.0031719800000000, 0.0026205900000000 ] - [ 0.0033482200000000, -0.0022044400000000, 0.0005281100000000 ] - [ 0.0056189300000000, 0.0010007000000000, -0.0022028300000000 ] - [ -0.0091731500000000, 0.0081190100000000, 0.0149381300000000 ] - [ 0.0001109500000000, -0.0002543600000000, 0.0010056500000000 ] - [ 0.0008245300000000, -0.0005648000000000, -0.0011879400000000 ] - [ 0.0004771900000000, -0.0006232900000000, -0.0007198600000000 ] - [ -0.0007787400000000, 0.0004561600000000, -0.0003708000000000 ] - [ -0.0008758800000000, -0.0001409700000000, -0.0002070900000000 ] - [ -0.0004940500000000, 0.0005551800000000, -0.0006739300000000 ] - [ -0.0004643700000000, 0.0002016900000000, -0.0003642100000000 ] - [ -0.0012154900000000, -0.0004514800000000, 0.0007929100000000 ] - [ -0.0011607900000000, -0.0007971000000000, 0.0008575500000000 ] - [ -0.0008576600000000, -0.0002522000000000, 0.0004063400000000 ] - [ -0.0011932900000000, -0.0006765300000000, 0.0006441200000000 ] - [ -0.0014130600000000, -0.0004431200000000, -0.0000345700000000 ] - [ -0.0011871400000000, -0.0002096700000000, 0.0000161800000000 ] - [ -0.0008688700000000, -0.0002487200000000, -0.0001132900000000 ] - [ -0.0010274100000000, -0.0002734900000000, -0.0001640000000000 ] - [ -0.0004063200000000, -0.0007465900000000, -0.0009158300000000 ] - [ -0.0010056800000000, -0.0001027800000000, -0.0005763700000000 ] - [ -0.0007509500000000, -0.0002247900000000, -0.0000832100000000 ] - [ -0.0006631100000000, -0.0000570400000000, -0.0001301300000000 ] - [ -0.0021149600000000, -0.0004914100000000, -0.0003025200000000 ] - [ -0.0030779200000000, -0.0011554700000000, -0.0003844700000000 ] - [ -0.0016228600000000, -0.0003479600000000, -0.0003249600000000 ] - [ -0.0024007300000000, 0.0001401800000000, -0.0012444400000000 ] - [ -0.0040464500000000, -0.0020198000000000, -0.0006795800000000 ] - [ -0.0014905900000000, -0.0002108800000000, -0.0003236600000000 ] - [ -0.0012394000000000, -0.0007537000000000, -0.0000326300000000 ] - [ -0.0012450100000000, -0.0004340900000000, -0.0001921800000000 ] - [ -0.0025785900000000, 0.0008062000000000, 0.0001036900000000 ] - [ -0.0020709600000000, 0.0006706900000000, -0.0001509100000000 ] - [ -0.0029227300000000, 0.0007147700000000, -0.0009088900000000 ] - [ -0.0016656200000000, 0.0000176900000000, -0.0005156600000000 ] - [ -0.0018549200000000, -0.0005902100000000, -0.0000090700000000 ] - [ -0.0018563100000000, -0.0007133600000000, -0.0000645600000000 ] - [ -0.0016625000000000, -0.0007499900000000, -0.0003397300000000 ] - [ -0.0016639900000000, -0.0005800500000000, -0.0001686100000000 ] - [ -0.0022649100000000, 0.0011990200000000, 0.0003525600000000 ] - [ -0.0016195000000000, 0.0010171100000000, 0.0002730200000000 ] - [ -0.0023818600000000, -0.0002998000000000, -0.0017504300000000 ] - [ -0.0012028900000000, 0.0005123900000000, -0.0002464100000000 ] - [ -0.0012263400000000, 0.0003807500000000, -0.0000867800000000 ] - [ -0.0010210500000000, 0.0002548000000000, -0.0000437100000000 ] - [ -0.0014226700000000, 0.0004373000000000, -0.0002176200000000 ] - [ -0.0008548000000000, 0.0000736800000000, -0.0000345500000000 ] - [ -0.0018815300000000, 0.0008346300000000, -0.0002595500000000 ] - [ -0.0016013100000000, 0.0006446300000000, -0.0002033700000000 ] - [ -0.0018809200000000, 0.0006490900000000, -0.0000257200000000 ] - [ -0.0016007900000000, 0.0004791100000000, -0.0000294800000000 ] - [ -0.0012731600000000, 0.0007621600000000, 0.0006702400000000 ] - [ -0.0010007900000000, 0.0002897100000000, 0.0005116000000000 ] - [ -0.0010235300000000, 0.0006878000000000, 0.0008840500000000 ] - [ -0.0010352100000000, 0.0004340200000000, 0.0007028800000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015421200000000, -0.0090734800000000, -0.0060901700000000 ] - [ 0.0023989900000000, 0.0046516000000000, -0.0000584000000000 ] - [ -0.0001083100000000, -0.0044351200000000, 0.0050894000000000 ] - [ 0.0085263900000000, 0.0061929300000000, -0.0027112400000000 ] - [ -0.0094192200000000, 0.0100286600000000, -0.0026948000000000 ] - [ 0.0062260700000000, -0.0107883000000000, 0.0043043100000000 ] - [ 0.0008485500000000, 0.0016333900000000, -0.0020538400000000 ] - [ 0.0025900600000000, -0.0025504000000000, -0.0021995300000000 ] - [ 0.0053425600000000, 0.0052894300000000, -0.0052983100000000 ] - [ 0.0046001400000000, -0.0145536100000000, 0.0100839700000000 ] - [ -0.0006124400000000, 0.0074593000000000, -0.0012151600000000 ] - [ 0.0041436900000000, -0.0094115200000000, -0.0106829200000000 ] - [ 0.0030493200000000, -0.0123203900000000, 0.0113660800000000 ] - [ 0.0189915200000000, 0.0400855800000000, 0.0116669600000000 ] - [ -0.0013072700000000, -0.0063440200000000, -0.0051256000000000 ] - [ 0.0018797900000000, 0.0032804400000000, -0.0018635900000000 ] - [ -0.0005824800000000, 0.0004907800000000, -0.0001954500000000 ] - [ -0.0005577800000000, 0.0000972700000000, -0.0004351500000000 ] - [ -0.0014840800000000, 0.0010120600000000, -0.0007129800000000 ] - [ -0.0011601900000000, -0.0000068800000000, -0.0003713800000000 ] - [ -0.0011334300000000, -0.0003782200000000, -0.0000399900000000 ] - [ -0.0011498000000000, -0.0005288100000000, -0.0000984700000000 ] - [ -0.0005380300000000, -0.0004225200000000, -0.0006535800000000 ] - [ -0.0014649700000000, -0.0004814700000000, -0.0012389200000000 ] - [ -0.0023182000000000, -0.0006494900000000, -0.0004520100000000 ] - [ -0.0015196600000000, 0.0001401400000000, -0.0000508800000000 ] - [ -0.0016490300000000, -0.0001641500000000, -0.0001166100000000 ] - [ -0.0015460900000000, 0.0000766700000000, -0.0000628600000000 ] - [ -0.0021326400000000, 0.0005986600000000, -0.0000029900000000 ] - [ -0.0016765400000000, -0.0002587500000000, 0.0001478000000000 ] - [ -0.0019596300000000, 0.0004356200000000, -0.0005843000000000 ] - [ -0.0013521100000000, -0.0002454200000000, -0.0003523600000000 ] - [ -0.0014738200000000, 0.0033440900000000, 0.0032942800000000 ] - [ -0.0017378200000000, -0.0029146000000000, -0.0007093700000000 ] - [ 0.0004619400000000, 0.0006829300000000, -0.0007637700000000 ] - [ -0.0002617900000000, -0.0007405000000000, -0.0009542700000000 ] - [ 0.0011180600000000, -0.0012469700000000, 0.0005022700000000 ] - [ 0.0000818400000000, 0.0016522700000000, 0.0001749500000000 ] - [ 0.0001336600000000, -0.0007272800000000, 0.0006927600000000 ] - [ -0.0031380300000000, 0.0014788900000000, -0.0034934300000000 ] - [ -0.0024938300000000, -0.0021371900000000, 0.0020176000000000 ] - [ 0.0001762200000000, 0.0009138700000000, 0.0001594600000000 ] - [ -0.0004918100000000, -0.0000827700000000, -0.0006785300000000 ] - [ -0.0001189700000000, 0.0002143900000000, -0.0002936400000000 ] - [ -0.0022011000000000, 0.0009716200000000, -0.0024521300000000 ] - [ -0.0000579400000000, -0.0002327400000000, 0.0002026500000000 ] - [ -0.0002879700000000, 0.0003082700000000, 0.0004489900000000 ] - [ 0.0001943600000000, -0.0006280600000000, -0.0000629200000000 ] - [ -0.0096693000000000, 0.0231276100000000, -0.0049545500000000 ] - [ 0.0078821300000000, 0.0228300800000000, -0.0136465500000000 ] - [ -0.0003327400000000, -0.0007249600000000, 0.0012189100000000 ] - [ -0.0003268100000000, -0.0010773000000000, 0.0020417200000000 ] - [ -0.0003092300000000, 0.0032522900000000, -0.0019019900000000 ] - [ -0.0021746000000000, -0.0070457500000000, 0.0029558100000000 ] - [ -0.0004441200000000, 0.0010259300000000, -0.0004265200000000 ] - [ -0.0010012400000000, -0.0021004600000000, 0.0022106300000000 ] - [ 0.0108256900000000, 0.0172016800000000, 0.0171122200000000 ] - [ -0.0021978400000000, 0.0002173000000000, -0.0017439100000000 ] - [ -0.0004761200000000, -0.0007480600000000, -0.0005830900000000 ] - [ -0.0018585700000000, 0.0007536800000000, 0.0022640300000000 ] - [ -0.0014822300000000, 0.0136709300000000, 0.0125998500000000 ] - [ -0.0000072000000000, -0.0008951100000000, -0.0026783600000000 ] - [ -0.0006062200000000, -0.0026451800000000, -0.0040022200000000 ] - [ 0.0006638900000000, 0.0240290800000000, 0.0246233200000000 ] - [ 0.0152097700000000, 0.0093405700000000, 0.0050483300000000 ] - [ -0.0018326100000000, 0.0001909800000000, -0.0005903300000000 ] - [ -0.0005124300000000, -0.0001439300000000, 0.0000003500000000 ] - [ -0.0005826600000000, 0.0002924400000000, 0.0000654100000000 ] - [ -0.0059986600000000, -0.0055951600000000, -0.0024621000000000 ] - [ 0.0019300900000000, 0.0032612600000000, -0.0004854900000000 ] - [ -0.0005939900000000, -0.0014795500000000, 0.0009778300000000 ] - [ 0.0019714300000000, 0.0015754000000000, 0.0009804400000000 ] - [ 0.0007808800000000, 0.0001552300000000, 0.0010056500000000 ] - [ -0.0000821500000000, -0.0005349800000000, 0.0000142100000000 ] - [ -0.0004427000000000, 0.0001018500000000, -0.0009494600000000 ] - [ -0.0018068400000000, -0.0002151700000000, -0.0003179800000000 ] - [ -0.0390692500000000, -0.1332113900000000, -0.0542844200000000 ] - [ -0.0003381300000000, 0.0047093700000000, 0.0015456900000000 ] - [ -0.0009883900000000, -0.0010333600000000, 0.0004526600000000 ] - [ -0.0011221000000000, 0.0030622100000000, 0.0036879200000000 ] - [ -0.0037747000000000, 0.0028520000000000, -0.0014498000000000 ] - [ 0.0159786400000000, -0.0083634400000000, 0.0035043900000000 ] - [ -0.0014997400000000, 0.0015597000000000, 0.0003307300000000 ] - [ 0.0001467500000000, -0.0005339900000000, 0.0003401400000000 ] - [ 0.0029956400000000, 0.0121730000000000, -0.0083442400000000 ] - [ -0.0116846500000000, 0.0120308800000000, 0.0051997200000000 ] - [ 0.0005101100000000, -0.0004595800000000, 0.0017996500000000 ] - [ -0.0006107900000000, -0.0004450300000000, 0.0005242900000000 ] - [ -0.0023320900000000, 0.0043546400000000, -0.0014439000000000 ] - [ 0.0008722600000000, -0.0047668700000000, 0.0000924500000000 ] - [ -0.0017266000000000, 0.0043636200000000, -0.0030530100000000 ] - [ -0.0033148900000000, -0.0047547900000000, 0.0096239200000000 ] - [ 0.0002150600000000, -0.0070738000000000, -0.0055610800000000 ] - [ -0.0008488600000000, 0.0042761500000000, 0.0020322100000000 ] - [ -0.0004815900000000, 0.0001617100000000, 0.0010405800000000 ] - [ -0.0006214300000000, 0.0034369700000000, 0.0038159100000000 ] - [ 0.0003445500000000, 0.0000965400000000, -0.0003279000000000 ] - [ 0.0005687700000000, 0.0005461100000000, -0.0004708600000000 ] - [ 0.0002909500000000, 0.0000539900000000, -0.0001519500000000 ] - [ 0.0003347300000000, 0.0003278300000000, -0.0003388000000000 ] - [ 0.0000718300000000, -0.0004510400000000, 0.0004182000000000 ] - [ -0.0000743300000000, -0.0004512900000000, 0.0005342400000000 ] - [ -0.0002137500000000, -0.0008440700000000, 0.0010766900000000 ] - [ 0.0002748800000000, -0.0004651700000000, 0.0009389700000000 ] - [ 0.0013140800000000, 0.0006835500000000, -0.0000626100000000 ] - [ 0.0010797100000000, 0.0005312500000000, -0.0000961500000000 ] - [ 0.0011191600000000, 0.0007329800000000, 0.0001400300000000 ] - [ 0.0011437100000000, 0.0006333400000000, 0.0000697400000000 ] - [ 0.0002369100000000, 0.0000545300000000, -0.0000382400000000 ] - [ 0.0005202000000000, -0.0003811000000000, -0.0002902400000000 ] - [ 0.0004628600000000, -0.0002029700000000, -0.0005054200000000 ] - [ 0.0003613900000000, -0.0004457100000000, -0.0005137300000000 ] - [ 0.0005449900000000, 0.0011275200000000, -0.0005707500000000 ] - [ 0.0003027200000000, 0.0003913000000000, -0.0003042800000000 ] - [ 0.0001125100000000, 0.0004865800000000, -0.0000495300000000 ] - [ 0.0010545300000000, -0.0005343700000000, 0.0013529600000000 ] - [ 0.0021668500000000, 0.0007619300000000, 0.0005875300000000 ] - [ 0.0005448700000000, 0.0000489100000000, 0.0001123200000000 ] - [ 0.0007601600000000, 0.0001055500000000, 0.0003027500000000 ] - [ 0.0005913500000000, 0.0001108900000000, 0.0002197200000000 ] - [ -0.0000094900000000, -0.0004912800000000, -0.0000271800000000 ] - [ -0.0000699600000000, 0.0001779600000000, 0.0002506700000000 ] - [ 0.0014047400000000, -0.0015372700000000, -0.0002461900000000 ] - [ 0.0002410700000000, 0.0001837900000000, 0.0002538700000000 ] - [ 0.0005872700000000, 0.0002568800000000, -0.0001356100000000 ] - [ 0.0004652800000000, 0.0002576000000000, -0.0000821500000000 ] - [ 0.0004548600000000, 0.0002951100000000, 0.0000726700000000 ] - [ 0.0006259400000000, 0.0002965600000000, 0.0000740700000000 ] - [ 0.0013446200000000, -0.0007092200000000, -0.0000712400000000 ] - [ 0.0005808500000000, -0.0000843600000000, 0.0000401000000000 ] - [ 0.0012252600000000, 0.0000131700000000, 0.0007804900000000 ] - [ 0.0005173100000000, -0.0000751700000000, 0.0001854000000000 ] - [ 0.0012501200000000, -0.0006634300000000, -0.0000733900000000 ] - [ 0.0011247500000000, -0.0005604700000000, -0.0000768400000000 ] - [ 0.0013074300000000, -0.0008667200000000, 0.0002758900000000 ] - [ 0.0009455000000000, -0.0005059600000000, 0.0000369700000000 ] - [ 0.0005251900000000, -0.0003618700000000, 0.0000724900000000 ] - [ 0.0003536900000000, -0.0001772900000000, 0.0000119400000000 ] - [ 0.0007109300000000, -0.0003621900000000, -0.0000964500000000 ] - [ 0.0005183100000000, -0.0001779000000000, -0.0000912800000000 ] - [ 0.0001236900000000, 0.0003257900000000, 0.0006552600000000 ] - [ 0.0001296100000000, 0.0005875300000000, 0.0006535600000000 ] - [ -0.0001808400000000, 0.0005489000000000, 0.0007980900000000 ] - [ -0.0002066500000000, 0.0008378800000000, 0.0010943100000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022698800000000, 0.0099556800000000, 0.0054393500000000 ] - [ -0.0016272300000000, -0.0038665300000000, -0.0004996300000000 ] - [ 0.0008235700000000, 0.0053233200000000, -0.0056809800000000 ] - [ -0.0078099600000000, -0.0053959200000000, 0.0020799500000000 ] - [ 0.0109453300000000, -0.0107083000000000, 0.0020722000000000 ] - [ -0.0055315700000000, 0.0099354000000000, -0.0049731700000000 ] - [ -0.0001089800000000, -0.0024954200000000, 0.0014425600000000 ] - [ -0.0018515600000000, 0.0016552800000000, 0.0015859300000000 ] - [ -0.0063736400000000, -0.0052864400000000, 0.0059852900000000 ] - [ -0.0054181000000000, 0.0144197900000000, -0.0102883400000000 ] - [ -0.0001608800000000, -0.0076936400000000, 0.0011457700000000 ] - [ -0.0049283100000000, 0.0092120900000000, 0.0107146300000000 ] - [ -0.0037941200000000, 0.0126251600000000, -0.0114225300000000 ] - [ -0.0214341500000000, -0.0423080900000000, -0.0139490800000000 ] - [ 0.0005741300000000, 0.0066580900000000, 0.0050916900000000 ] - [ -0.0026766500000000, -0.0031093800000000, 0.0018400100000000 ] - [ 0.0013232500000000, 0.0003933000000000, -0.0004342200000000 ] - [ 0.0013032800000000, 0.0007818800000000, -0.0001904600000000 ] - [ 0.0022311200000000, -0.0001308100000000, 0.0000898500000000 ] - [ 0.0019129300000000, 0.0008847100000000, -0.0002492200000000 ] - [ 0.0018864800000000, -0.0004975200000000, -0.0005864600000000 ] - [ 0.0018950600000000, -0.0003545500000000, -0.0005296900000000 ] - [ 0.0012830600000000, -0.0004559400000000, 0.0000313400000000 ] - [ 0.0022113100000000, -0.0004018900000000, 0.0006180800000000 ] - [ 0.0015693200000000, 0.0004117300000000, 0.0003874900000000 ] - [ 0.0007689100000000, -0.0003840800000000, -0.0000157000000000 ] - [ 0.0008941800000000, -0.0000763600000000, 0.0000511500000000 ] - [ 0.0007944600000000, -0.0003194000000000, -0.0000020600000000 ] - [ 0.0013791600000000, -0.0003562600000000, -0.0000654900000000 ] - [ 0.0009254100000000, 0.0005009700000000, -0.0002161800000000 ] - [ 0.0012095300000000, -0.0001930800000000, 0.0005213600000000 ] - [ 0.0006000000000000, 0.0004856700000000, 0.0002891400000000 ] - [ 0.0016599800000000, -0.0033570600000000, -0.0033262500000000 ] - [ 0.0019637100000000, 0.0029259900000000, 0.0007227000000000 ] - [ -0.0002784800000000, -0.0006883400000000, 0.0007745000000000 ] - [ 0.0004553100000000, 0.0007417600000000, 0.0009649400000000 ] - [ -0.0009226900000000, 0.0012623600000000, -0.0005137600000000 ] - [ 0.0000938600000000, -0.0016803300000000, -0.0001681000000000 ] - [ 0.0000638400000000, 0.0007354600000000, -0.0006828800000000 ] - [ 0.0033499000000000, -0.0014808800000000, 0.0035208200000000 ] - [ 0.0026851500000000, 0.0021484700000000, -0.0020240100000000 ] - [ 0.0000162500000000, -0.0009263900000000, -0.0001560500000000 ] - [ 0.0006794200000000, 0.0000841800000000, 0.0006835900000000 ] - [ 0.0003140000000000, -0.0002225000000000, 0.0003043200000000 ] - [ 0.0024014100000000, -0.0009575400000000, 0.0024740300000000 ] - [ 0.0002501900000000, 0.0002308600000000, -0.0002040400000000 ] - [ 0.0004820700000000, -0.0002996400000000, -0.0004471800000000 ] - [ -0.0000086600000000, 0.0006305000000000, 0.0000669800000000 ] - [ 0.0096461700000000, -0.0223790100000000, 0.0042804700000000 ] - [ -0.0078782500000000, -0.0226590200000000, 0.0131410100000000 ] - [ 0.0004893200000000, 0.0012403500000000, -0.0019338300000000 ] - [ 0.0004851000000000, 0.0016250400000000, -0.0027820000000000 ] - [ -0.0003520700000000, -0.0043786100000000, 0.0034064500000000 ] - [ 0.0014174600000000, 0.0059707500000000, -0.0015499300000000 ] - [ -0.0002183800000000, -0.0021306600000000, 0.0019131800000000 ] - [ 0.0003352600000000, 0.0009861000000000, -0.0007145600000000 ] - [ -0.0097133000000000, -0.0163274500000000, -0.0169053600000000 ] - [ 0.0032210600000000, 0.0005557400000000, 0.0017543900000000 ] - [ 0.0014715600000000, 0.0014831100000000, 0.0005606100000000 ] - [ 0.0028718900000000, 0.0000023400000000, -0.0022872300000000 ] - [ 0.0016668600000000, -0.0142730800000000, -0.0134726700000000 ] - [ 0.0001600100000000, 0.0004069500000000, 0.0020143900000000 ] - [ 0.0007606800000000, 0.0021106600000000, 0.0032876700000000 ] - [ -0.0005332900000000, -0.0248302600000000, -0.0255543000000000 ] - [ -0.0159134300000000, -0.0089955200000000, -0.0052446000000000 ] - [ 0.0012113600000000, 0.0001272400000000, 0.0004012100000000 ] - [ -0.0001296400000000, 0.0004511600000000, -0.0001949800000000 ] - [ -0.0000429700000000, 0.0000252400000000, -0.0002574900000000 ] - [ 0.0063101900000000, 0.0054814500000000, 0.0026313900000000 ] - [ -0.0017155800000000, -0.0033920600000000, 0.0007157300000000 ] - [ 0.0008375600000000, 0.0013769100000000, -0.0007719800000000 ] - [ -0.0017420000000000, -0.0016886600000000, -0.0007772000000000 ] - [ -0.0014064900000000, -0.0004737000000000, -0.0011973700000000 ] - [ -0.0005802700000000, 0.0002441200000000, -0.0002144000000000 ] - [ -0.0001871600000000, -0.0004186300000000, 0.0007583200000000 ] - [ 0.0011794800000000, -0.0000914700000000, 0.0001270100000000 ] - [ 0.0403007400000000, 0.1351393000000000, 0.0559235500000000 ] - [ 0.0000886700000000, -0.0047078400000000, -0.0016574300000000 ] - [ 0.0007291300000000, 0.0010476100000000, -0.0005742200000000 ] - [ 0.0008591800000000, -0.0030722200000000, -0.0038284400000000 ] - [ 0.0040054400000000, -0.0027530400000000, 0.0016547100000000 ] - [ -0.0158774700000000, 0.0086516900000000, -0.0032801700000000 ] - [ 0.0017527900000000, -0.0014647100000000, -0.0001158000000000 ] - [ 0.0001034400000000, 0.0006428400000000, -0.0001338400000000 ] - [ -0.0019307900000000, -0.0127779400000000, 0.0082352100000000 ] - [ 0.0128271400000000, -0.0129220600000000, -0.0052948600000000 ] - [ 0.0004810000000000, -0.0002931300000000, -0.0018074100000000 ] - [ 0.0016075300000000, -0.0002782400000000, -0.0005574300000000 ] - [ 0.0020805700000000, -0.0043974100000000, 0.0013536300000000 ] - [ -0.0011358200000000, 0.0048030600000000, -0.0003314300000000 ] - [ 0.0014713900000000, -0.0043884100000000, 0.0029380600000000 ] - [ 0.0030634500000000, 0.0048151700000000, -0.0097196800000000 ] - [ -0.0009377800000000, 0.0081953200000000, 0.0070978800000000 ] - [ 0.0001937100000000, -0.0031634400000000, -0.0005409100000000 ] - [ -0.0001878600000000, 0.0009453600000000, 0.0004388500000000 ] - [ -0.0000445200000000, -0.0023084200000000, -0.0023031400000000 ] - [ -0.0001917200000000, 0.0004206300000000, -0.0003756600000000 ] - [ -0.0004124200000000, -0.0000286200000000, -0.0002351100000000 ] - [ -0.0001367000000000, 0.0004651900000000, -0.0005552700000000 ] - [ -0.0001774500000000, 0.0001926400000000, -0.0003713200000000 ] - [ -0.0007419300000000, -0.0006705000000000, 0.0010842500000000 ] - [ -0.0005934600000000, -0.0006662300000000, 0.0009671800000000 ] - [ -0.0004535900000000, -0.0002721600000000, 0.0004194200000000 ] - [ -0.0009415800000000, -0.0006502000000000, 0.0005551000000000 ] - [ -0.0003228500000000, 0.0000588000000000, 0.0000501900000000 ] - [ -0.0000866100000000, 0.0002123600000000, 0.0000831100000000 ] - [ -0.0001254400000000, 0.0000071200000000, -0.0001557400000000 ] - [ -0.0001505500000000, 0.0001089700000000, -0.0000847600000000 ] - [ -0.0000809600000000, -0.0005745900000000, -0.0006713000000000 ] - [ -0.0003677600000000, -0.0001364300000000, -0.0004157900000000 ] - [ -0.0003052400000000, -0.0003159600000000, -0.0002022000000000 ] - [ -0.0002071400000000, -0.0000717300000000, -0.0001909400000000 ] - [ -0.0011912000000000, -0.0008271300000000, 0.0003840700000000 ] - [ -0.0009350200000000, -0.0000783100000000, 0.0001166500000000 ] - [ -0.0007534000000000, -0.0001765500000000, -0.0001456400000000 ] - [ -0.0016943200000000, 0.0008484200000000, -0.0015513400000000 ] - [ -0.0019318500000000, -0.0008740800000000, -0.0003744100000000 ] - [ -0.0003051100000000, -0.0001526800000000, 0.0001005000000000 ] - [ -0.0005183500000000, -0.0002140800000000, -0.0000889500000000 ] - [ -0.0003550900000000, -0.0002155100000000, -0.0000099700000000 ] - [ -0.0006200400000000, 0.0001793400000000, -0.0001653700000000 ] - [ -0.0005687600000000, -0.0004879300000000, -0.0004441100000000 ] - [ -0.0020482600000000, 0.0012345400000000, 0.0000559300000000 ] - [ -0.0008899200000000, -0.0004940400000000, -0.0004534400000000 ] - [ -0.0008560100000000, -0.0002458400000000, 0.0000263100000000 ] - [ -0.0007324000000000, -0.0002452900000000, -0.0000290800000000 ] - [ -0.0007218000000000, -0.0002857600000000, -0.0001851200000000 ] - [ -0.0008929400000000, -0.0002839500000000, -0.0001865000000000 ] - [ -0.0010963800000000, 0.0008104200000000, 0.0002886300000000 ] - [ -0.0003414300000000, 0.0001940900000000, 0.0001739400000000 ] - [ -0.0009826600000000, 0.0000859900000000, -0.0005720300000000 ] - [ -0.0002874700000000, 0.0001882000000000, 0.0000247500000000 ] - [ -0.0002581500000000, -0.0000770200000000, 0.0000593300000000 ] - [ -0.0001331700000000, -0.0001806100000000, 0.0000628800000000 ] - [ -0.0003157700000000, 0.0001270300000000, -0.0002909900000000 ] - [ 0.0000497400000000, -0.0002367800000000, -0.0000509400000000 ] - [ -0.0007923600000000, 0.0003501300000000, -0.0001842300000000 ] - [ -0.0006214900000000, 0.0001684500000000, -0.0001248300000000 ] - [ -0.0009775100000000, 0.0003491900000000, -0.0000129600000000 ] - [ -0.0007872800000000, 0.0001678400000000, -0.0000200700000000 ] - [ -0.0007916800000000, 0.0007920500000000, 0.0008419400000000 ] - [ -0.0007999800000000, 0.0005329700000000, 0.0008461000000000 ] - [ -0.0004870100000000, 0.0005685700000000, 0.0007015600000000 ] - [ -0.0004590800000000, 0.0002801700000000, 0.0004029800000000 ]- atom: 77 displacement: [ -0.0002521786343742, 0.0000000000000000, 0.0099968197911318 ] forces: - [ -0.0039332000000000, -0.0066062200000000, -0.0040891600000000 ] - [ -0.0065441200000000, 0.0073076500000000, -0.0034851200000000 ] - [ 0.0016236000000000, 0.0014327700000000, -0.0025476900000000 ] - [ 0.0084954600000000, -0.0031405700000000, -0.0054959800000000 ] - [ -0.0029793100000000, 0.0022731800000000, 0.0189053900000000 ] - [ 0.0026842400000000, -0.0051326300000000, 0.0061289300000000 ] - [ -0.0005379400000000, 0.0008728200000000, -0.0057046200000000 ] - [ 0.0001559500000000, -0.0010889200000000, -0.0046576500000000 ] - [ -0.0058419900000000, -0.0107428200000000, 0.0100108200000000 ] - [ 0.0024040500000000, -0.0054990700000000, 0.0065065700000000 ] - [ -0.0042219500000000, 0.0092456900000000, -0.0099696800000000 ] - [ 0.0009879200000000, -0.0059153400000000, -0.0096637500000000 ] - [ -0.0038186700000000, -0.0025366000000000, 0.0093410500000000 ] - [ 0.0119588500000000, 0.0136811800000000, 0.0241034100000000 ] - [ -0.0039339500000000, -0.0095308700000000, -0.0099561000000000 ] - [ 0.0027874500000000, 0.0062055500000000, -0.0095710300000000 ] - [ 0.0011603400000000, 0.0001139400000000, -0.0000842100000000 ] - [ 0.0008381000000000, 0.0002996600000000, -0.0002772300000000 ] - [ -0.0002864600000000, 0.0008868300000000, -0.0004863700000000 ] - [ -0.0001619500000000, 0.0002313100000000, -0.0002529700000000 ] - [ 0.0003568900000000, -0.0004884100000000, 0.0002765600000000 ] - [ 0.0004359800000000, -0.0003789700000000, 0.0004043000000000 ] - [ 0.0004194400000000, -0.0004501600000000, -0.0008302000000000 ] - [ -0.0003060100000000, -0.0004571700000000, -0.0013243300000000 ] - [ -0.0004797700000000, -0.0002666000000000, 0.0002181500000000 ] - [ -0.0004108400000000, -0.0000892500000000, 0.0002936000000000 ] - [ -0.0004250600000000, -0.0001316700000000, -0.0003975100000000 ] - [ -0.0005111100000000, -0.0000034900000000, -0.0002871800000000 ] - [ -0.0002076400000000, 0.0000357700000000, 0.0002712100000000 ] - [ -0.0001609600000000, 0.0000868900000000, 0.0002415800000000 ] - [ -0.0008404100000000, 0.0002681900000000, -0.0003851500000000 ] - [ -0.0006041800000000, 0.0000863700000000, -0.0003229700000000 ] - [ -0.0010921500000000, 0.0023039000000000, 0.0053383300000000 ] - [ -0.0007358200000000, -0.0013898500000000, 0.0005352300000000 ] - [ 0.0009903800000000, 0.0005196000000000, -0.0018975000000000 ] - [ 0.0003774700000000, -0.0005151000000000, -0.0012368100000000 ] - [ 0.0020335800000000, -0.0013963100000000, 0.0009052100000000 ] - [ 0.0029115200000000, 0.0031142800000000, -0.0008207400000000 ] - [ -0.0003449500000000, -0.0003369700000000, 0.0000116900000000 ] - [ -0.0029788000000000, 0.0007477300000000, -0.0031457700000000 ] - [ 0.0006177100000000, 0.0003244700000000, 0.0001075300000000 ] - [ 0.0008520100000000, 0.0000508400000000, 0.0010608300000000 ] - [ -0.0003936900000000, -0.0000583800000000, -0.0006667500000000 ] - [ -0.0004264400000000, 0.0000261700000000, -0.0008593700000000 ] - [ -0.0008467900000000, -0.0004927900000000, 0.0006014600000000 ] - [ -0.0005103400000000, 0.0004310700000000, 0.0007091200000000 ] - [ 0.0005912100000000, 0.0002184400000000, -0.0005184100000000 ] - [ 0.0006960900000000, -0.0003540000000000, -0.0006576000000000 ] - [ -0.0025492800000000, 0.0134342700000000, -0.0107285200000000 ] - [ 0.0008715700000000, 0.0071065900000000, -0.0143027600000000 ] - [ -0.0001524000000000, -0.0026111800000000, 0.0045306100000000 ] - [ -0.0002759900000000, -0.0027901900000000, 0.0044087800000000 ] - [ 0.0002289900000000, 0.0020604700000000, -0.0019401000000000 ] - [ 0.0086192700000000, -0.0031716900000000, 0.0033859500000000 ] - [ -0.0005266100000000, -0.0013978200000000, 0.0021269100000000 ] - [ -0.0010072100000000, -0.0026092100000000, 0.0037462800000000 ] - [ 0.0127625800000000, 0.0172035300000000, 0.0088282200000000 ] - [ -0.0002545500000000, -0.0013045600000000, -0.0021203500000000 ] - [ -0.0001229600000000, -0.0001690800000000, 0.0015286600000000 ] - [ -0.0003437200000000, 0.0027082700000000, 0.0031415600000000 ] - [ -0.0027661600000000, 0.0238785700000000, 0.0271076700000000 ] - [ -0.0003155900000000, -0.0017052100000000, -0.0017190000000000 ] - [ 0.0006346300000000, -0.0031099800000000, -0.0010861100000000 ] - [ -0.0000320900000000, 0.0149026000000000, 0.0177608800000000 ] - [ -0.0041925200000000, -0.0018861200000000, 0.0005025200000000 ] - [ -0.0011039600000000, 0.0001358900000000, -0.0009749900000000 ] - [ 0.0000893300000000, 0.0000521600000000, 0.0005426700000000 ] - [ 0.0000096000000000, 0.0002367600000000, 0.0006754900000000 ] - [ -0.0141740300000000, -0.0041496500000000, -0.0005124200000000 ] - [ 0.0003241400000000, 0.0012637800000000, -0.0006226900000000 ] - [ 0.0012851200000000, -0.0007748300000000, 0.0017576700000000 ] - [ 0.0017339800000000, 0.0009907100000000, 0.0011401300000000 ] - [ 0.0013412200000000, -0.0004252600000000, 0.0002759500000000 ] - [ 0.0024425000000000, -0.0016971600000000, 0.0006613200000000 ] - [ -0.0008576300000000, -0.0000980000000000, 0.0000478200000000 ] - [ -0.0029461200000000, 0.0011984000000000, -0.0003190700000000 ] - [ 0.0011390500000000, -0.0539654300000000, -0.1200414400000000 ] - [ 0.0002522900000000, 0.0016176300000000, -0.0006350900000000 ] - [ -0.0002834300000000, 0.0005477700000000, 0.0039702000000000 ] - [ 0.0007341200000000, 0.0038068600000000, 0.0042488100000000 ] - [ -0.0006151500000000, 0.0009220200000000, -0.0007180700000000 ] - [ 0.0154605200000000, -0.0030713600000000, 0.0030441000000000 ] - [ -0.0018665700000000, 0.0019356300000000, 0.0006403900000000 ] - [ -0.0005648000000000, -0.0003563600000000, 0.0012322100000000 ] - [ -0.0013435900000000, -0.0059502300000000, 0.0004179500000000 ] - [ -0.0064221800000000, 0.0079821200000000, 0.0002838100000000 ] - [ 0.0021148800000000, -0.0009436800000000, 0.0020745500000000 ] - [ 0.0009997900000000, -0.0021836000000000, 0.0020429700000000 ] - [ -0.0006213600000000, 0.0029583300000000, -0.0010876300000000 ] - [ 0.0022641000000000, -0.0098664200000000, 0.0200174400000000 ] - [ -0.0001215500000000, 0.0013307800000000, -0.0010625200000000 ] - [ -0.0027049700000000, -0.0002169400000000, 0.0195331000000000 ] - [ -0.0068533600000000, -0.0006529000000000, 0.0014180900000000 ] - [ -0.0007881300000000, 0.0006284700000000, 0.0004533000000000 ] - [ 0.0004044700000000, 0.0015951100000000, 0.0029104500000000 ] - [ -0.0001808500000000, 0.0029986000000000, 0.0035380200000000 ] - [ 0.0001061700000000, 0.0003850500000000, -0.0006349500000000 ] - [ 0.0000634400000000, 0.0003946900000000, -0.0006087700000000 ] - [ 0.0000946300000000, 0.0000907200000000, -0.0000875800000000 ] - [ 0.0000827600000000, 0.0001713500000000, -0.0001436400000000 ] - [ -0.0002827600000000, -0.0003253000000000, 0.0002684500000000 ] - [ -0.0004691400000000, -0.0004994100000000, 0.0004559500000000 ] - [ -0.0003800500000000, -0.0008073800000000, 0.0011137200000000 ] - [ 0.0000108000000000, -0.0005589700000000, 0.0010390000000000 ] - [ 0.0004722500000000, 0.0002917800000000, -0.0001405100000000 ] - [ 0.0004275600000000, 0.0002658900000000, -0.0001813200000000 ] - [ 0.0005675500000000, 0.0005021800000000, 0.0001625700000000 ] - [ 0.0006132800000000, 0.0004310600000000, 0.0000889800000000 ] - [ 0.0001390600000000, -0.0002525000000000, -0.0003560000000000 ] - [ 0.0002530400000000, -0.0003274800000000, -0.0003542400000000 ] - [ -0.0000324900000000, -0.0002063300000000, -0.0002896200000000 ] - [ 0.0000170500000000, -0.0002440100000000, -0.0003355500000000 ] - [ -0.0003144600000000, 0.0007786900000000, -0.0008040500000000 ] - [ -0.0008203000000000, 0.0002114300000000, -0.0008892500000000 ] - [ -0.0003060800000000, 0.0000669000000000, 0.0001658200000000 ] - [ 0.0004521900000000, -0.0007394600000000, 0.0013110200000000 ] - [ 0.0001774500000000, 0.0002823000000000, -0.0003059900000000 ] - [ 0.0001035500000000, 0.0001514100000000, -0.0002957000000000 ] - [ 0.0001405200000000, -0.0002909100000000, 0.0004471300000000 ] - [ 0.0001475800000000, -0.0002861200000000, 0.0004351600000000 ] - [ -0.0013636700000000, 0.0002625600000000, 0.0002868200000000 ] - [ -0.0008662900000000, 0.0005035500000000, 0.0002588700000000 ] - [ 0.0006657500000000, -0.0013528600000000, -0.0005634800000000 ] - [ -0.0000568800000000, -0.0000563900000000, -0.0000890600000000 ] - [ -0.0001717100000000, -0.0000366400000000, -0.0002061100000000 ] - [ -0.0002267700000000, -0.0000947700000000, -0.0002086600000000 ] - [ -0.0000614800000000, 0.0001147100000000, 0.0001202700000000 ] - [ 0.0001119400000000, 0.0001196200000000, 0.0001252000000000 ] - [ -0.0001293200000000, 0.0001766800000000, 0.0000989500000000 ] - [ -0.0001862500000000, 0.0001883700000000, 0.0000751800000000 ] - [ 0.0006031100000000, 0.0000387400000000, 0.0004124400000000 ] - [ 0.0004275100000000, -0.0001061100000000, 0.0001521000000000 ] - [ 0.0005288700000000, -0.0002830700000000, -0.0001650200000000 ] - [ 0.0004924500000000, -0.0002842700000000, -0.0001445900000000 ] - [ 0.0006557400000000, -0.0006318700000000, 0.0002862000000000 ] - [ 0.0004894600000000, -0.0004037700000000, 0.0000802000000000 ] - [ -0.0002112500000000, 0.0000591700000000, -0.0000607500000000 ] - [ -0.0001997400000000, 0.0000485100000000, -0.0000467500000000 ] - [ 0.0000252000000000, -0.0001176600000000, -0.0000527400000000 ] - [ -0.0000244300000000, -0.0000615600000000, -0.0000406300000000 ] - [ -0.0001818300000000, 0.0003255200000000, 0.0005247400000000 ] - [ -0.0000942600000000, 0.0004174000000000, 0.0004392700000000 ] - [ -0.0004936500000000, 0.0007094100000000, 0.0009718100000000 ] - [ -0.0005652200000000, 0.0008286000000000, 0.0011822600000000 ]- atom: 77 displacement: [ 0.0002521786343742, 0.0000000000000000, -0.0099968197911318 ] forces: - [ 0.0046287600000000, 0.0074717700000000, 0.0034710600000000 ] - [ 0.0071456100000000, -0.0064409700000000, 0.0029914300000000 ] - [ -0.0008940900000000, -0.0005345400000000, 0.0018679500000000 ] - [ -0.0077976700000000, 0.0040084800000000, 0.0047888900000000 ] - [ 0.0038995700000000, -0.0030104900000000, -0.0193209800000000 ] - [ -0.0019446100000000, 0.0042223000000000, -0.0067364400000000 ] - [ 0.0012342600000000, -0.0017466700000000, 0.0050560000000000 ] - [ 0.0005559800000000, 0.0002131700000000, 0.0040169500000000 ] - [ 0.0038972400000000, 0.0114517800000000, -0.0083810100000000 ] - [ -0.0031806700000000, 0.0052267200000000, -0.0065162200000000 ] - [ 0.0034625500000000, -0.0095165900000000, 0.0098537100000000 ] - [ -0.0017570000000000, 0.0056732500000000, 0.0095400000000000 ] - [ 0.0029929700000000, 0.0027859800000000, -0.0093991300000000 ] - [ -0.0136006100000000, -0.0149520700000000, -0.0248674300000000 ] - [ 0.0031170300000000, 0.0096608200000000, 0.0098089900000000 ] - [ -0.0035223100000000, -0.0058786300000000, 0.0094071100000000 ] - [ -0.0003952300000000, 0.0007604000000000, -0.0005374500000000 ] - [ -0.0000794300000000, 0.0005825000000000, -0.0003448100000000 ] - [ 0.0010428400000000, -0.0000076400000000, -0.0001370400000000 ] - [ 0.0009139100000000, 0.0006497400000000, -0.0003714800000000 ] - [ 0.0003995700000000, -0.0003937800000000, -0.0008988400000000 ] - [ 0.0003238900000000, -0.0004980100000000, -0.0010230300000000 ] - [ 0.0003363100000000, -0.0004299500000000, 0.0002037400000000 ] - [ 0.0010628800000000, -0.0004235700000000, 0.0006981200000000 ] - [ -0.0002543300000000, 0.0000316200000000, -0.0002768700000000 ] - [ -0.0003296200000000, -0.0001571400000000, -0.0003583100000000 ] - [ -0.0003247900000000, -0.0001097600000000, 0.0003297000000000 ] - [ -0.0002350800000000, -0.0002391500000000, 0.0002196100000000 ] - [ -0.0005336100000000, 0.0002023800000000, -0.0003398300000000 ] - [ -0.0005811800000000, 0.0001582000000000, -0.0003092400000000 ] - [ 0.0001015300000000, -0.0000275800000000, 0.0003261300000000 ] - [ -0.0001422000000000, 0.0001561000000000, 0.0002610800000000 ] - [ 0.0012913200000000, -0.0023091800000000, -0.0053093000000000 ] - [ 0.0009215000000000, 0.0013854800000000, -0.0005295000000000 ] - [ -0.0007805800000000, -0.0005220600000000, 0.0018918100000000 ] - [ -0.0001764400000000, 0.0005150700000000, 0.0012345800000000 ] - [ -0.0018235300000000, 0.0013825700000000, -0.0008892700000000 ] - [ -0.0026897900000000, -0.0030823800000000, 0.0008159300000000 ] - [ 0.0005381400000000, 0.0003327900000000, -0.0000104200000000 ] - [ 0.0031735900000000, -0.0007380600000000, 0.0031503900000000 ] - [ -0.0003982900000000, -0.0003030600000000, -0.0001278700000000 ] - [ -0.0006505500000000, -0.0000599900000000, -0.0010604000000000 ] - [ 0.0005790100000000, 0.0000573600000000, 0.0006751400000000 ] - [ 0.0006165400000000, -0.0000350800000000, 0.0008668700000000 ] - [ 0.0010593800000000, 0.0005026800000000, -0.0005572600000000 ] - [ 0.0007041600000000, -0.0004295500000000, -0.0006985900000000 ] - [ -0.0003953100000000, -0.0002144900000000, 0.0005113700000000 ] - [ -0.0005075300000000, 0.0003587400000000, 0.0006568300000000 ] - [ 0.0027259800000000, -0.0128812400000000, 0.0098970000000000 ] - [ -0.0006646200000000, -0.0065177100000000, 0.0136605100000000 ] - [ 0.0003081500000000, 0.0031229400000000, -0.0052062900000000 ] - [ 0.0004297200000000, 0.0032699000000000, -0.0050690100000000 ] - [ -0.0008880600000000, -0.0031699100000000, 0.0034232500000000 ] - [ -0.0093039100000000, 0.0021154800000000, -0.0020482700000000 ] - [ -0.0001366400000000, 0.0002651200000000, -0.0006082300000000 ] - [ 0.0003458300000000, 0.0014804500000000, -0.0022270400000000 ] - [ -0.0116177700000000, -0.0162845600000000, -0.0088162600000000 ] - [ 0.0012646800000000, 0.0020558300000000, 0.0020923000000000 ] - [ 0.0011345200000000, 0.0009252700000000, -0.0015290500000000 ] - [ 0.0013566700000000, -0.0019609000000000, -0.0031428300000000 ] - [ 0.0028860600000000, -0.0240942100000000, -0.0274019300000000 ] - [ 0.0004711500000000, 0.0011632900000000, 0.0009944500000000 ] - [ -0.0004747800000000, 0.0026043100000000, 0.0004042000000000 ] - [ 0.0001948800000000, -0.0153505400000000, -0.0184419600000000 ] - [ 0.0033440800000000, 0.0020967800000000, -0.0007843200000000 ] - [ 0.0004626900000000, 0.0001777000000000, 0.0007785000000000 ] - [ -0.0007149200000000, 0.0002617100000000, -0.0007314100000000 ] - [ -0.0006277100000000, 0.0000810900000000, -0.0008615000000000 ] - [ 0.0142246100000000, 0.0039726000000000, 0.0006800800000000 ] - [ -0.0000656100000000, -0.0013539800000000, 0.0008310100000000 ] - [ -0.0010524400000000, 0.0006642400000000, -0.0015392400000000 ] - [ -0.0014828500000000, -0.0010916700000000, -0.0009192600000000 ] - [ -0.0019602500000000, 0.0001020800000000, -0.0004778800000000 ] - [ -0.0030699700000000, 0.0013868500000000, -0.0008568200000000 ] - [ 0.0002185900000000, -0.0002123900000000, -0.0002292800000000 ] - [ 0.0023242200000000, -0.0015146800000000, 0.0001355200000000 ] - [ 0.0006502800000000, 0.0542084700000000, 0.1183293400000000 ] - [ -0.0005035300000000, -0.0015956100000000, 0.0005200600000000 ] - [ 0.0000360300000000, -0.0005225500000000, -0.0040587700000000 ] - [ -0.0009744100000000, -0.0037575600000000, -0.0043275900000000 ] - [ 0.0008677800000000, -0.0008195700000000, 0.0009327800000000 ] - [ -0.0152698900000000, 0.0031937900000000, -0.0028414200000000 ] - [ 0.0020893400000000, -0.0018112300000000, -0.0004251400000000 ] - [ 0.0007987600000000, 0.0004563000000000, -0.0010135400000000 ] - [ 0.0023659100000000, 0.0051567100000000, -0.0003752200000000 ] - [ 0.0074261700000000, -0.0087167100000000, -0.0002544100000000 ] - [ -0.0010853100000000, 0.0001935800000000, -0.0020826600000000 ] - [ 0.0000249700000000, 0.0014212900000000, -0.0020580000000000 ] - [ 0.0003732700000000, -0.0029502100000000, 0.0009595500000000 ] - [ -0.0024522700000000, 0.0096353100000000, -0.0196736800000000 ] - [ -0.0001237500000000, -0.0013542100000000, 0.0009593400000000 ] - [ 0.0024764700000000, 0.0001549900000000, -0.0199067600000000 ] - [ 0.0062268500000000, 0.0017854600000000, 0.0001167300000000 ] - [ 0.0001221600000000, 0.0004876300000000, 0.0010470900000000 ] - [ -0.0010517000000000, -0.0004826900000000, -0.0014223900000000 ] - [ -0.0004810500000000, -0.0018716900000000, -0.0020323600000000 ] - [ 0.0000443300000000, 0.0001340200000000, -0.0000702700000000 ] - [ 0.0000894500000000, 0.0001211400000000, -0.0000977900000000 ] - [ 0.0000588600000000, 0.0004290400000000, -0.0006200500000000 ] - [ 0.0000734600000000, 0.0003479900000000, -0.0005652200000000 ] - [ -0.0003864300000000, -0.0007888700000000, 0.0012258000000000 ] - [ -0.0002018300000000, -0.0006200200000000, 0.0010420600000000 ] - [ -0.0002896800000000, -0.0003094200000000, 0.0003849700000000 ] - [ -0.0006781400000000, -0.0005596300000000, 0.0004600400000000 ] - [ 0.0005134600000000, 0.0004462800000000, 0.0001260400000000 ] - [ 0.0005595600000000, 0.0004745000000000, 0.0001663000000000 ] - [ 0.0004236600000000, 0.0002383100000000, -0.0001761600000000 ] - [ 0.0003761000000000, 0.0003095100000000, -0.0001033200000000 ] - [ 0.0000155400000000, -0.0002705000000000, -0.0003567800000000 ] - [ -0.0001039200000000, -0.0001895900000000, -0.0003526700000000 ] - [ 0.0001870300000000, -0.0003125400000000, -0.0004157600000000 ] - [ 0.0001351300000000, -0.0002720500000000, -0.0003673200000000 ] - [ -0.0003276200000000, -0.0004651200000000, 0.0006059000000000 ] - [ 0.0001684600000000, 0.0000954500000000, 0.0006909400000000 ] - [ -0.0003393300000000, 0.0002391500000000, -0.0003573100000000 ] - [ -0.0010982400000000, 0.0010407800000000, -0.0014992300000000 ] - [ 0.0000410600000000, -0.0003991000000000, 0.0005143100000000 ] - [ 0.0001315700000000, -0.0002560400000000, 0.0005066000000000 ] - [ 0.0000999800000000, 0.0001817900000000, -0.0002328200000000 ] - [ 0.0000858300000000, 0.0001783000000000, -0.0002234500000000 ] - [ 0.0007088800000000, -0.0005670500000000, -0.0004789600000000 ] - [ 0.0002191600000000, -0.0008085800000000, -0.0004507600000000 ] - [ -0.0013130900000000, 0.0010424100000000, 0.0003643800000000 ] - [ -0.0005872900000000, -0.0002501100000000, -0.0001043900000000 ] - [ -0.0001012100000000, 0.0000464600000000, 0.0000959700000000 ] - [ -0.0000468100000000, 0.0001032500000000, 0.0000961600000000 ] - [ -0.0002100100000000, -0.0001076500000000, -0.0002329100000000 ] - [ -0.0003823900000000, -0.0001089200000000, -0.0002365200000000 ] - [ 0.0003681500000000, -0.0000678700000000, 0.0001211300000000 ] - [ 0.0004198700000000, -0.0000770800000000, 0.0001393200000000 ] - [ -0.0003685000000000, 0.0000579600000000, -0.0002116200000000 ] - [ -0.0002000600000000, 0.0002175100000000, 0.0000552100000000 ] - [ 0.0004578200000000, -0.0004541000000000, 0.0001497000000000 ] - [ 0.0004964000000000, -0.0004557700000000, 0.0001301100000000 ] - [ 0.0003293100000000, -0.0001059200000000, -0.0003009200000000 ] - [ 0.0005020400000000, -0.0003383200000000, -0.0000942300000000 ] - [ -0.0000634300000000, -0.0000668800000000, -0.0000522600000000 ] - [ -0.0000728700000000, -0.0000556200000000, -0.0000667300000000 ] - [ -0.0002962100000000, 0.0001056500000000, -0.0000562400000000 ] - [ -0.0002457900000000, 0.0000508500000000, -0.0000695400000000 ] - [ -0.0004875200000000, 0.0007933500000000, 0.0009735200000000 ] - [ -0.0005737500000000, 0.0006986000000000, 0.0010570600000000 ] - [ -0.0001781700000000, 0.0004103600000000, 0.0005284200000000 ] - [ -0.0001053200000000, 0.0002892000000000, 0.0003174000000000 ]