# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c1411989-c1b0-41f5-9b49-c6cab961e7eb/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 Tm2S3 / P2_1/m (11) / materials id 2309](https://mdr.nims.go.jp/datasets/0718f3b1-4c50-4283-a637-07a64e1cfb33) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/m" number: 11 Hall_symbol: "-P 2yb"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 10.734733479999999, 0.000000000000000, -0.010758100000000 ] # a - [ 0.000000000000000, 3.824637810000000, 0.000000000000000 ] # b - [ -3.560644430000000, 0.000000000000000, 10.426714580000001 ] # c points: - symbol: S # 1 coordinates: [ 0.480269820000000, 0.750000000000000, 0.114706650000000 ] mass: 32.065000 - symbol: S # 2 coordinates: [ 0.519730180000000, 0.250000000000000, 0.885293350000000 ] mass: 32.065000 - symbol: S # 3 coordinates: [ 0.809185280000000, 0.750000000000000, 0.250718100000000 ] mass: 32.065000 - symbol: S # 4 coordinates: [ 0.190814720000000, 0.250000000000000, 0.749281900000000 ] mass: 32.065000 - symbol: S # 5 coordinates: [ 0.397343030000000, 0.750000000000000, 0.562804260000000 ] mass: 32.065000 - symbol: S # 6 coordinates: [ 0.602656970000000, 0.250000000000000, 0.437195740000000 ] mass: 32.065000 - symbol: S # 7 coordinates: [ 0.917564670000000, 0.750000000000000, 0.599816430000000 ] mass: 32.065000 - symbol: S # 8 coordinates: [ 0.082435330000000, 0.250000000000000, 0.400183570000000 ] mass: 32.065000 - symbol: S # 9 coordinates: [ 0.747344950000000, 0.750000000000000, 0.777606340000000 ] mass: 32.065000 - symbol: S # 10 coordinates: [ 0.252655050000000, 0.250000000000000, 0.222393660000000 ] mass: 32.065000 - symbol: S # 11 coordinates: [ 0.111168110000000, 0.750000000000000, 0.963756890000000 ] mass: 32.065000 - symbol: S # 12 coordinates: [ 0.888831890000000, 0.250000000000000, 0.036243110000000 ] mass: 32.065000 - symbol: Tm # 13 coordinates: [ 0.682505170000000, 0.750000000000000, 0.003219630000000 ] mass: 168.934210 - symbol: Tm # 14 coordinates: [ 0.317494830000000, 0.250000000000000, 0.996780370000000 ] mass: 168.934210 - symbol: Tm # 15 coordinates: [ 0.044276850000000, 0.750000000000000, 0.191491180000000 ] mass: 168.934210 - symbol: Tm # 16 coordinates: [ 0.955723150000000, 0.250000000000000, 0.808508820000000 ] mass: 168.934210 - symbol: Tm # 17 coordinates: [ 0.431722240000000, 0.750000000000000, 0.331494770000000 ] mass: 168.934210 - symbol: Tm # 18 coordinates: [ 0.568277760000000, 0.250000000000000, 0.668505230000000 ] mass: 168.934210 - symbol: Tm # 19 coordinates: [ 0.160250270000000, 0.750000000000000, 0.582571220000000 ] mass: 168.934210 - symbol: Tm # 20 coordinates: [ 0.839749730000000, 0.250000000000000, 0.417428780000000 ] mass: 168.934210 reciprocal_lattice: # without 2pi - [ 0.093187441944857, 0.000000000000000, 0.031822808954928 ] # a* - [ 0.000000000000000, 0.261462666447885, 0.000000000000000 ] # b* - [ 0.000096149157196, 0.000000000000000, 0.095940321880473 ] # c*unit_cell: lattice: - [ 10.734733479999999, 0.000000000000000, -0.010758100000000 ] # a - [ 0.000000000000000, 3.824637810000000, 0.000000000000000 ] # b - [ -3.560644430000000, 0.000000000000000, 10.426714580000001 ] # c points: - symbol: S # 1 coordinates: [ 0.480269820000000, 0.750000000000000, 0.114706650000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.519730180000000, 0.250000000000000, 0.885293350000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 3 coordinates: [ 0.809185280000000, 0.750000000000000, 0.250718100000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 4 coordinates: [ 0.190814720000000, 0.250000000000000, 0.749281900000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 5 coordinates: [ 0.397343030000000, 0.750000000000000, 0.562804260000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.602656970000000, 0.250000000000000, 0.437195740000000 ] mass: 32.065000 reduced_to: 6 - symbol: S # 7 coordinates: [ 0.917564670000000, 0.750000000000000, 0.599816430000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.082435330000000, 0.250000000000000, 0.400183570000000 ] mass: 32.065000 reduced_to: 8 - symbol: S # 9 coordinates: [ 0.747344950000000, 0.750000000000000, 0.777606340000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.252655050000000, 0.250000000000000, 0.222393660000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 11 coordinates: [ 0.111168110000000, 0.750000000000000, 0.963756890000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.888831890000000, 0.250000000000000, 0.036243110000000 ] mass: 32.065000 reduced_to: 12 - symbol: Tm # 13 coordinates: [ 0.682505170000000, 0.750000000000000, 0.003219630000000 ] mass: 168.934210 reduced_to: 13 - symbol: Tm # 14 coordinates: [ 0.317494830000000, 0.250000000000000, 0.996780370000000 ] mass: 168.934210 reduced_to: 14 - symbol: Tm # 15 coordinates: [ 0.044276850000000, 0.750000000000000, 0.191491180000000 ] mass: 168.934210 reduced_to: 15 - symbol: Tm # 16 coordinates: [ 0.955723150000000, 0.250000000000000, 0.808508820000000 ] mass: 168.934210 reduced_to: 16 - symbol: Tm # 17 coordinates: [ 0.431722240000000, 0.750000000000000, 0.331494770000000 ] mass: 168.934210 reduced_to: 17 - symbol: Tm # 18 coordinates: [ 0.568277760000000, 0.250000000000000, 0.668505230000000 ] mass: 168.934210 reduced_to: 18 - symbol: Tm # 19 coordinates: [ 0.160250270000000, 0.750000000000000, 0.582571220000000 ] mass: 168.934210 reduced_to: 19 - symbol: Tm # 20 coordinates: [ 0.839749730000000, 0.250000000000000, 0.417428780000000 ] mass: 168.934210 reduced_to: 20supercell: lattice: - [ 21.469466959999998, 0.000000000000000, -0.021516200000000 ] # a - [ 0.000000000000000, 11.473913430000000, 0.000000000000000 ] # b - [ -3.560644430000000, 0.000000000000000, 10.426714580000001 ] # c points: - symbol: S # 1 coordinates: [ 0.240134910000000, 0.250000000000000, 0.114706650000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.740134910000000, 0.250000000000000, 0.114706650000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 3 coordinates: [ 0.240134910000000, 0.583333333333333, 0.114706650000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 4 coordinates: [ 0.740134910000000, 0.583333333333333, 0.114706650000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 5 coordinates: [ 0.240134910000000, 0.916666666666667, 0.114706650000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 6 coordinates: [ 0.740134910000000, 0.916666666666667, 0.114706650000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 7 coordinates: [ 0.259865090000000, 0.083333333333333, 0.885293350000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.759865090000000, 0.083333333333333, 0.885293350000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 9 coordinates: [ 0.259865090000000, 0.416666666666667, 0.885293350000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 10 coordinates: [ 0.759865090000000, 0.416666666666667, 0.885293350000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 11 coordinates: [ 0.259865090000000, 0.750000000000000, 0.885293350000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 12 coordinates: [ 0.759865090000000, 0.750000000000000, 0.885293350000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 13 coordinates: [ 0.404592640000000, 0.250000000000000, 0.250718100000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.904592640000000, 0.250000000000000, 0.250718100000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 15 coordinates: [ 0.404592640000000, 0.583333333333333, 0.250718100000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 16 coordinates: [ 0.904592640000000, 0.583333333333333, 0.250718100000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 17 coordinates: [ 0.404592640000000, 0.916666666666667, 0.250718100000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 18 coordinates: [ 0.904592640000000, 0.916666666666667, 0.250718100000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 19 coordinates: [ 0.095407360000000, 0.083333333333333, 0.749281900000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 20 coordinates: [ 0.595407360000000, 0.083333333333333, 0.749281900000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 21 coordinates: [ 0.095407360000000, 0.416666666666667, 0.749281900000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 22 coordinates: [ 0.595407360000000, 0.416666666666667, 0.749281900000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 23 coordinates: [ 0.095407360000000, 0.750000000000000, 0.749281900000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 24 coordinates: [ 0.595407360000000, 0.750000000000000, 0.749281900000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 25 coordinates: [ 0.198671515000000, 0.250000000000000, 0.562804260000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.698671515000000, 0.250000000000000, 0.562804260000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 27 coordinates: [ 0.198671515000000, 0.583333333333333, 0.562804260000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 28 coordinates: [ 0.698671515000000, 0.583333333333333, 0.562804260000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 29 coordinates: [ 0.198671515000000, 0.916666666666667, 0.562804260000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 30 coordinates: [ 0.698671515000000, 0.916666666666667, 0.562804260000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 31 coordinates: [ 0.301328485000000, 0.083333333333333, 0.437195740000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 32 coordinates: [ 0.801328485000000, 0.083333333333333, 0.437195740000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 33 coordinates: [ 0.301328485000000, 0.416666666666667, 0.437195740000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 34 coordinates: [ 0.801328485000000, 0.416666666666667, 0.437195740000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 35 coordinates: [ 0.301328485000000, 0.750000000000000, 0.437195740000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 36 coordinates: [ 0.801328485000000, 0.750000000000000, 0.437195740000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 37 coordinates: [ 0.458782335000000, 0.250000000000000, 0.599816430000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.958782335000000, 0.250000000000000, 0.599816430000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 39 coordinates: [ 0.458782335000000, 0.583333333333333, 0.599816430000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 40 coordinates: [ 0.958782335000000, 0.583333333333333, 0.599816430000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 41 coordinates: [ 0.458782335000000, 0.916666666666667, 0.599816430000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 42 coordinates: [ 0.958782335000000, 0.916666666666667, 0.599816430000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 43 coordinates: [ 0.041217665000000, 0.083333333333333, 0.400183570000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 44 coordinates: [ 0.541217665000000, 0.083333333333333, 0.400183570000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 45 coordinates: [ 0.041217665000000, 0.416666666666667, 0.400183570000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 46 coordinates: [ 0.541217665000000, 0.416666666666667, 0.400183570000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 47 coordinates: [ 0.041217665000000, 0.750000000000000, 0.400183570000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 48 coordinates: [ 0.541217665000000, 0.750000000000000, 0.400183570000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 49 coordinates: [ 0.373672475000000, 0.250000000000000, 0.777606340000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.873672475000000, 0.250000000000000, 0.777606340000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 51 coordinates: [ 0.373672475000000, 0.583333333333333, 0.777606340000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 52 coordinates: [ 0.873672475000000, 0.583333333333333, 0.777606340000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 53 coordinates: [ 0.373672475000000, 0.916666666666667, 0.777606340000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 54 coordinates: [ 0.873672475000000, 0.916666666666667, 0.777606340000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 55 coordinates: [ 0.126327525000000, 0.083333333333333, 0.222393660000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 56 coordinates: [ 0.626327525000000, 0.083333333333333, 0.222393660000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 57 coordinates: [ 0.126327525000000, 0.416666666666667, 0.222393660000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 58 coordinates: [ 0.626327525000000, 0.416666666666667, 0.222393660000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 59 coordinates: [ 0.126327525000000, 0.750000000000000, 0.222393660000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 60 coordinates: [ 0.626327525000000, 0.750000000000000, 0.222393660000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 61 coordinates: [ 0.055584055000000, 0.250000000000000, 0.963756890000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 62 coordinates: [ 0.555584055000000, 0.250000000000000, 0.963756890000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 63 coordinates: [ 0.055584055000000, 0.583333333333333, 0.963756890000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 64 coordinates: [ 0.555584055000000, 0.583333333333333, 0.963756890000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 65 coordinates: [ 0.055584055000000, 0.916666666666667, 0.963756890000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 66 coordinates: [ 0.555584055000000, 0.916666666666667, 0.963756890000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 67 coordinates: [ 0.444415945000000, 0.083333333333333, 0.036243110000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 68 coordinates: [ 0.944415945000000, 0.083333333333333, 0.036243110000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 69 coordinates: [ 0.444415945000000, 0.416666666666667, 0.036243110000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 70 coordinates: [ 0.944415945000000, 0.416666666666667, 0.036243110000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 71 coordinates: [ 0.444415945000000, 0.750000000000000, 0.036243110000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 72 coordinates: [ 0.944415945000000, 0.750000000000000, 0.036243110000000 ] mass: 32.065000 reduced_to: 67 - symbol: Tm # 73 coordinates: [ 0.341252585000000, 0.250000000000000, 0.003219630000000 ] mass: 168.934210 reduced_to: 73 - symbol: Tm # 74 coordinates: [ 0.841252585000000, 0.250000000000000, 0.003219630000000 ] mass: 168.934210 reduced_to: 73 - symbol: Tm # 75 coordinates: [ 0.341252585000000, 0.583333333333333, 0.003219630000000 ] mass: 168.934210 reduced_to: 73 - symbol: Tm # 76 coordinates: [ 0.841252585000000, 0.583333333333333, 0.003219630000000 ] mass: 168.934210 reduced_to: 73 - symbol: Tm # 77 coordinates: [ 0.341252585000000, 0.916666666666667, 0.003219630000000 ] mass: 168.934210 reduced_to: 73 - symbol: Tm # 78 coordinates: [ 0.841252585000000, 0.916666666666667, 0.003219630000000 ] mass: 168.934210 reduced_to: 73 - symbol: Tm # 79 coordinates: [ 0.158747415000000, 0.083333333333333, 0.996780370000000 ] mass: 168.934210 reduced_to: 79 - symbol: Tm # 80 coordinates: [ 0.658747415000000, 0.083333333333333, 0.996780370000000 ] mass: 168.934210 reduced_to: 79 - symbol: Tm # 81 coordinates: [ 0.158747415000000, 0.416666666666667, 0.996780370000000 ] mass: 168.934210 reduced_to: 79 - symbol: Tm # 82 coordinates: [ 0.658747415000000, 0.416666666666667, 0.996780370000000 ] mass: 168.934210 reduced_to: 79 - symbol: Tm # 83 coordinates: [ 0.158747415000000, 0.750000000000000, 0.996780370000000 ] mass: 168.934210 reduced_to: 79 - symbol: Tm # 84 coordinates: [ 0.658747415000000, 0.750000000000000, 0.996780370000000 ] mass: 168.934210 reduced_to: 79 - symbol: Tm # 85 coordinates: [ 0.022138425000000, 0.250000000000000, 0.191491180000000 ] mass: 168.934210 reduced_to: 85 - symbol: Tm # 86 coordinates: [ 0.522138425000000, 0.250000000000000, 0.191491180000000 ] mass: 168.934210 reduced_to: 85 - symbol: Tm # 87 coordinates: [ 0.022138425000000, 0.583333333333333, 0.191491180000000 ] mass: 168.934210 reduced_to: 85 - symbol: Tm # 88 coordinates: [ 0.522138425000000, 0.583333333333333, 0.191491180000000 ] mass: 168.934210 reduced_to: 85 - symbol: Tm # 89 coordinates: [ 0.022138425000000, 0.916666666666667, 0.191491180000000 ] mass: 168.934210 reduced_to: 85 - symbol: Tm # 90 coordinates: [ 0.522138425000000, 0.916666666666667, 0.191491180000000 ] mass: 168.934210 reduced_to: 85 - symbol: Tm # 91 coordinates: [ 0.477861575000000, 0.083333333333333, 0.808508820000000 ] mass: 168.934210 reduced_to: 91 - symbol: Tm # 92 coordinates: [ 0.977861575000000, 0.083333333333333, 0.808508820000000 ] mass: 168.934210 reduced_to: 91 - symbol: Tm # 93 coordinates: [ 0.477861575000000, 0.416666666666667, 0.808508820000000 ] mass: 168.934210 reduced_to: 91 - symbol: Tm # 94 coordinates: [ 0.977861575000000, 0.416666666666667, 0.808508820000000 ] mass: 168.934210 reduced_to: 91 - symbol: Tm # 95 coordinates: [ 0.477861575000000, 0.750000000000000, 0.808508820000000 ] mass: 168.934210 reduced_to: 91 - symbol: Tm # 96 coordinates: [ 0.977861575000000, 0.750000000000000, 0.808508820000000 ] mass: 168.934210 reduced_to: 91 - symbol: Tm # 97 coordinates: [ 0.215861120000000, 0.250000000000000, 0.331494770000000 ] mass: 168.934210 reduced_to: 97 - symbol: Tm # 98 coordinates: [ 0.715861120000000, 0.250000000000000, 0.331494770000000 ] mass: 168.934210 reduced_to: 97 - symbol: Tm # 99 coordinates: [ 0.215861120000000, 0.583333333333333, 0.331494770000000 ] mass: 168.934210 reduced_to: 97 - symbol: Tm # 100 coordinates: [ 0.715861120000000, 0.583333333333333, 0.331494770000000 ] mass: 168.934210 reduced_to: 97 - symbol: Tm # 101 coordinates: [ 0.215861120000000, 0.916666666666667, 0.331494770000000 ] mass: 168.934210 reduced_to: 97 - symbol: Tm # 102 coordinates: [ 0.715861120000000, 0.916666666666667, 0.331494770000000 ] mass: 168.934210 reduced_to: 97 - symbol: Tm # 103 coordinates: [ 0.284138880000000, 0.083333333333333, 0.668505230000000 ] mass: 168.934210 reduced_to: 103 - symbol: Tm # 104 coordinates: [ 0.784138880000000, 0.083333333333333, 0.668505230000000 ] mass: 168.934210 reduced_to: 103 - symbol: Tm # 105 coordinates: [ 0.284138880000000, 0.416666666666667, 0.668505230000000 ] mass: 168.934210 reduced_to: 103 - symbol: Tm # 106 coordinates: [ 0.784138880000000, 0.416666666666667, 0.668505230000000 ] mass: 168.934210 reduced_to: 103 - symbol: Tm # 107 coordinates: [ 0.284138880000000, 0.750000000000000, 0.668505230000000 ] mass: 168.934210 reduced_to: 103 - symbol: Tm # 108 coordinates: [ 0.784138880000000, 0.750000000000000, 0.668505230000000 ] mass: 168.934210 reduced_to: 103 - symbol: Tm # 109 coordinates: [ 0.080125135000000, 0.250000000000000, 0.582571220000000 ] mass: 168.934210 reduced_to: 109 - symbol: Tm # 110 coordinates: [ 0.580125135000000, 0.250000000000000, 0.582571220000000 ] mass: 168.934210 reduced_to: 109 - symbol: Tm # 111 coordinates: [ 0.080125135000000, 0.583333333333333, 0.582571220000000 ] mass: 168.934210 reduced_to: 109 - symbol: Tm # 112 coordinates: [ 0.580125135000000, 0.583333333333333, 0.582571220000000 ] mass: 168.934210 reduced_to: 109 - symbol: Tm # 113 coordinates: [ 0.080125135000000, 0.916666666666667, 0.582571220000000 ] mass: 168.934210 reduced_to: 109 - symbol: Tm # 114 coordinates: [ 0.580125135000000, 0.916666666666667, 0.582571220000000 ] mass: 168.934210 reduced_to: 109 - symbol: Tm # 115 coordinates: [ 0.419874865000000, 0.083333333333333, 0.417428780000000 ] mass: 168.934210 reduced_to: 115 - symbol: Tm # 116 coordinates: [ 0.919874865000000, 0.083333333333333, 0.417428780000000 ] mass: 168.934210 reduced_to: 115 - symbol: Tm # 117 coordinates: [ 0.419874865000000, 0.416666666666667, 0.417428780000000 ] mass: 168.934210 reduced_to: 115 - symbol: Tm # 118 coordinates: [ 0.919874865000000, 0.416666666666667, 0.417428780000000 ] mass: 168.934210 reduced_to: 115 - symbol: Tm # 119 coordinates: [ 0.419874865000000, 0.750000000000000, 0.417428780000000 ] mass: 168.934210 reduced_to: 115 - symbol: Tm # 120 coordinates: [ 0.919874865000000, 0.750000000000000, 0.417428780000000 ] mass: 168.934210 reduced_to: 115born_effective_charge:- # 1 (S) - [ -2.587977850000000, 0.000000000000000, 0.455018070000000 ] - [ 0.000000000000000, -2.189170340000000, 0.000000000000000 ] - [ 0.294176510000000, 0.000000000000000, -2.591285490000000 ]- # 2 (S) - [ -2.587977850000000, 0.000000000000000, 0.455018070000000 ] - [ 0.000000000000000, -2.189170340000000, 0.000000000000000 ] - [ 0.294176510000000, 0.000000000000000, -2.591285490000000 ]- # 3 (S) - [ -1.817642380000000, 0.000000000000000, 0.166740170000000 ] - [ 0.000000000000000, -2.578853970000000, 0.000000000000000 ] - [ 0.249769560000000, 0.000000000000000, -3.337007590000000 ]- # 4 (S) - [ -1.817642380000000, 0.000000000000000, 0.166740170000000 ] - [ 0.000000000000000, -2.578853970000000, 0.000000000000000 ] - [ 0.249769560000000, 0.000000000000000, -3.337007590000001 ]- # 5 (S) - [ -3.282030190000000, 0.000000000000000, -0.099792180000000 ] - [ 0.000000000000000, -2.450924310000000, 0.000000000000000 ] - [ -0.114093790000000, 0.000000000000000, -2.505613240000000 ]- # 6 (S) - [ -3.282030190000000, 0.000000000000000, -0.099792180000000 ] - [ 0.000000000000000, -2.450924310000000, 0.000000000000000 ] - [ -0.114093790000000, 0.000000000000000, -2.505613240000000 ]- # 7 (S) - [ -1.873378350000000, 0.000000000000000, 0.231572290000000 ] - [ 0.000000000000000, -3.058905980000000, 0.000000000000000 ] - [ -0.111523110000000, 0.000000000000000, -2.997136890000000 ]- # 8 (S) - [ -1.873378350000000, 0.000000000000000, 0.231572290000000 ] - [ 0.000000000000000, -3.058905980000000, 0.000000000000000 ] - [ -0.111523110000000, 0.000000000000000, -2.997136890000000 ]- # 9 (S) - [ -2.699607100000000, 0.000000000000000, -0.455098440000000 ] - [ 0.000000000000000, -3.111641900000000, 0.000000000000000 ] - [ -0.162762400000000, 0.000000000000000, -2.017537430000000 ]- # 10 (S) - [ -2.699607100000000, 0.000000000000000, -0.455098440000000 ] - [ 0.000000000000000, -3.111641900000000, 0.000000000000000 ] - [ -0.162762400000000, 0.000000000000000, -2.017537430000000 ]- # 11 (S) - [ -2.207850260000000, 0.000000000000000, -0.346613700000000 ] - [ 0.000000000000000, -2.907277960000000, 0.000000000000000 ] - [ -0.374057070000000, 0.000000000000000, -2.220421440000000 ]- # 12 (S) - [ -2.207850260000000, 0.000000000000000, -0.346613700000000 ] - [ 0.000000000000000, -2.907277960000000, 0.000000000000000 ] - [ -0.374057070000000, 0.000000000000000, -2.220421440000000 ]- # 13 (Tm) - [ 3.870866280000000, 0.000000000000000, 0.142555150000000 ] - [ 0.000000000000000, 3.513265880000000, 0.000000000000000 ] - [ 0.517102450000000, 0.000000000000000, 3.748650640000001 ]- # 14 (Tm) - [ 3.870866280000000, 0.000000000000000, 0.142555150000000 ] - [ 0.000000000000000, 3.513265880000000, 0.000000000000000 ] - [ 0.517102450000000, 0.000000000000000, 3.748650640000001 ]- # 15 (Tm) - [ 3.537657920000000, 0.000000000000000, -0.214843130000000 ] - [ 0.000000000000000, 4.031150470000000, 0.000000000000000 ] - [ -0.358691750000000, 0.000000000000000, 3.698808500000001 ]- # 16 (Tm) - [ 3.537657920000000, 0.000000000000000, -0.214843130000000 ] - [ 0.000000000000000, 4.031150470000000, 0.000000000000000 ] - [ -0.358691750000000, 0.000000000000000, 3.698808500000001 ]- # 17 (Tm) - [ 3.113683180000000, 0.000000000000000, 0.393910140000000 ] - [ 0.000000000000000, 4.303994970000000, 0.000000000000000 ] - [ 0.125757990000000, 0.000000000000000, 4.646084030000000 ]- # 18 (Tm) - [ 3.113683180000000, 0.000000000000000, 0.393910140000000 ] - [ 0.000000000000000, 4.303994970000000, 0.000000000000000 ] - [ 0.125757990000000, 0.000000000000000, 4.646084030000000 ]- # 19 (Tm) - [ 3.946278730000000, 0.000000000000000, -0.273448380000000 ] - [ 0.000000000000000, 4.448363130000000, 0.000000000000000 ] - [ -0.065678420000000, 0.000000000000000, 3.575458910000000 ]- # 20 (Tm) - [ 3.946278730000000, 0.000000000000000, -0.273448380000000 ] - [ 0.000000000000000, 4.448363130000000, 0.000000000000000 ] - [ -0.065678420000000, 0.000000000000000, 3.575458910000001 ]dielectric_constant: - [ 7.343888120000000, 0.000000000000000, -0.108106490000000 ] - [ 0.000000000000000, 7.735136590000000, 0.000000000000000 ] - [ -0.108111090000000, 0.000000000000000, 7.626494700000000 ]displacements:- atom: 1 displacement: [ 0.0099999949782129, 0.0000000000000000, -0.0000100217621775 ] forces: - [ -0.0800066100000000, 0.0000000000000000, 0.0147879400000000 ] - [ 0.0006475700000000, 0.0000000000000000, 0.0003565300000000 ] - [ -0.0018287400000000, 0.0001650700000000, -0.0001481000000000 ] - [ 0.0006095700000000, -0.0000017400000000, 0.0003561800000000 ] - [ -0.0018287400000000, -0.0001650700000000, -0.0001481000000000 ] - [ 0.0006095700000000, 0.0000017400000000, 0.0003561800000000 ] - [ -0.0004959500000000, -0.0047054600000000, -0.0053963200000000 ] - [ 0.0004650800000000, 0.0000105500000000, -0.0002047400000000 ] - [ -0.0004959500000000, 0.0047054600000000, -0.0053963200000000 ] - [ 0.0004650800000000, -0.0000105500000000, -0.0002047400000000 ] - [ -0.0006080100000000, 0.0000000000000000, -0.0003391700000000 ] - [ 0.0004249500000000, 0.0000000000000000, -0.0001951100000000 ] - [ 0.0071145100000000, 0.0000000000000000, 0.0051571200000000 ] - [ -0.0003883100000000, 0.0000000000000000, -0.0000825700000000 ] - [ -0.0009899100000000, 0.0003208000000000, -0.0000997500000000 ] - [ -0.0004019900000000, -0.0000971700000000, -0.0001363100000000 ] - [ -0.0009899100000000, -0.0003208000000000, -0.0000997500000000 ] - [ -0.0004019900000000, 0.0000971700000000, -0.0001363100000000 ] - [ 0.0004437100000000, -0.0000297700000000, 0.0015133300000000 ] - [ 0.0011063900000000, -0.0000813000000000, 0.0003689500000000 ] - [ 0.0004437100000000, 0.0000297700000000, 0.0015133300000000 ] - [ 0.0011063900000000, 0.0000813000000000, 0.0003689500000000 ] - [ 0.0003754300000000, 0.0000000000000000, 0.0001055100000000 ] - [ 0.0010668000000000, 0.0000000000000000, 0.0003879200000000 ] - [ -0.0007340600000000, 0.0000000000000000, -0.0034015300000000 ] - [ -0.0007539000000000, 0.0000000000000000, 0.0006131100000000 ] - [ -0.0024631000000000, 0.0002016000000000, -0.0003625200000000 ] - [ -0.0008124900000000, -0.0000090600000000, 0.0006218500000000 ] - [ -0.0024631000000000, -0.0002016000000000, -0.0003625200000000 ] - [ -0.0008124900000000, 0.0000090600000000, 0.0006218500000000 ] - [ -0.0001596600000000, -0.0001816700000000, -0.0005319500000000 ] - [ 0.0021700200000000, -0.0000074900000000, -0.0001544600000000 ] - [ -0.0001596600000000, 0.0001816700000000, -0.0005319500000000 ] - [ 0.0021700200000000, 0.0000074900000000, -0.0001544600000000 ] - [ 0.0007416500000000, 0.0000000000000000, -0.0008161200000000 ] - [ 0.0020712600000000, 0.0000000000000000, -0.0001741400000000 ] - [ -0.0012413600000000, 0.0000000000000000, -0.0019609100000000 ] - [ -0.0012226400000000, 0.0000000000000000, -0.0019236800000000 ] - [ -0.0015135100000000, 0.0002569800000000, -0.0020107500000000 ] - [ -0.0015414300000000, -0.0001882900000000, -0.0020208100000000 ] - [ -0.0015135100000000, -0.0002569800000000, -0.0020107500000000 ] - [ -0.0015414300000000, 0.0001882900000000, -0.0020208100000000 ] - [ 0.0019213500000000, -0.0000135900000000, 0.0018241500000000 ] - [ 0.0020974400000000, -0.0005970400000000, 0.0026603000000000 ] - [ 0.0019213500000000, 0.0000135900000000, 0.0018241500000000 ] - [ 0.0020974400000000, 0.0005970400000000, 0.0026603000000000 ] - [ 0.0015421600000000, 0.0000000000000000, 0.0021501300000000 ] - [ 0.0016794100000000, 0.0000000000000000, 0.0023741400000000 ] - [ -0.0025772900000000, 0.0000000000000000, -0.0056417400000000 ] - [ -0.0022267800000000, 0.0000000000000000, -0.0021296600000000 ] - [ -0.0032008400000000, 0.0003478400000000, -0.0026748800000000 ] - [ -0.0025272300000000, -0.0000954800000000, -0.0022148000000000 ] - [ -0.0032008400000000, -0.0003478400000000, -0.0026748800000000 ] - [ -0.0025272300000000, 0.0000954800000000, -0.0022148000000000 ] - [ 0.0068133800000000, 0.0052150000000000, 0.0011307900000000 ] - [ 0.0037698500000000, -0.0001028200000000, 0.0027786500000000 ] - [ 0.0068133800000000, -0.0052150000000000, 0.0011307900000000 ] - [ 0.0037698500000000, 0.0001028200000000, 0.0027786500000000 ] - [ 0.0023551900000000, 0.0000000000000000, 0.0022199400000000 ] - [ 0.0036323000000000, 0.0000000000000000, 0.0027398700000000 ] - [ 0.0054547900000000, 0.0000000000000000, 0.0031732500000000 ] - [ 0.0014857600000000, 0.0000000000000000, 0.0002063300000000 ] - [ 0.0018155300000000, -0.0011052700000000, 0.0003393500000000 ] - [ 0.0013878600000000, 0.0001574900000000, 0.0004023000000000 ] - [ 0.0018155300000000, 0.0011052700000000, 0.0003393500000000 ] - [ 0.0013878600000000, -0.0001574900000000, 0.0004023000000000 ] - [ 0.0000392800000000, -0.0012241700000000, 0.0000693100000000 ] - [ -0.0002904100000000, 0.0002154600000000, -0.0000332200000000 ] - [ 0.0000392800000000, 0.0012241700000000, 0.0000693100000000 ] - [ -0.0002904100000000, -0.0002154600000000, -0.0000332200000000 ] - [ -0.0007864300000000, 0.0000000000000000, -0.0002298400000000 ] - [ -0.0003683600000000, 0.0000000000000000, 0.0000339200000000 ] - [ 0.0082332700000000, 0.0000000000000000, -0.0005012000000000 ] - [ -0.0021457500000000, 0.0000000000000000, 0.0003574500000000 ] - [ -0.0008684000000000, -0.0013812900000000, -0.0000624000000000 ] - [ -0.0020659000000000, 0.0000635200000000, 0.0002821800000000 ] - [ -0.0008684000000000, 0.0013812900000000, -0.0000624000000000 ] - [ -0.0020659000000000, -0.0000635200000000, 0.0002821800000000 ] - [ 0.0180042800000000, 0.0140460600000000, 0.0073735300000000 ] - [ 0.0002671700000000, 0.0000641600000000, -0.0008039800000000 ] - [ 0.0180042800000000, -0.0140460600000000, 0.0073735300000000 ] - [ 0.0002671700000000, -0.0000641600000000, -0.0008039800000000 ] - [ 0.0027841100000000, 0.0000000000000000, -0.0001940000000000 ] - [ 0.0003568900000000, 0.0000000000000000, -0.0008571700000000 ] - [ -0.0028891400000000, 0.0000000000000000, -0.0008899400000000 ] - [ -0.0032424800000000, 0.0000000000000000, -0.0008907700000000 ] - [ -0.0022061300000000, 0.0009248900000000, -0.0015854400000000 ] - [ -0.0019128700000000, -0.0004916100000000, -0.0017520800000000 ] - [ -0.0022061300000000, -0.0009248900000000, -0.0015854400000000 ] - [ -0.0019128700000000, 0.0004916100000000, -0.0017520800000000 ] - [ 0.0007246300000000, 0.0004590100000000, 0.0015158100000000 ] - [ 0.0004780700000000, -0.0010546800000000, 0.0002073400000000 ] - [ 0.0007246300000000, -0.0004590100000000, 0.0015158100000000 ] - [ 0.0004780700000000, 0.0010546800000000, 0.0002073400000000 ] - [ 0.0011773900000000, 0.0000000000000000, 0.0013377000000000 ] - [ 0.0009876800000000, 0.0000000000000000, 0.0007594900000000 ] - [ 0.0153637000000000, 0.0000000000000000, -0.0215529300000000 ] - [ -0.0025515500000000, 0.0000000000000000, -0.0017276800000000 ] - [ 0.0003359200000000, 0.0006231900000000, 0.0001282100000000 ] - [ -0.0024918100000000, -0.0000366500000000, -0.0016906300000000 ] - [ 0.0003359200000000, -0.0006231900000000, 0.0001282100000000 ] - [ -0.0024918100000000, 0.0000366500000000, -0.0016906300000000 ] - [ 0.0027378500000000, 0.0002437200000000, 0.0037110500000000 ] - [ 0.0011054100000000, -0.0001182000000000, 0.0007665100000000 ] - [ 0.0027378500000000, -0.0002437200000000, 0.0037110500000000 ] - [ 0.0011054100000000, 0.0001182000000000, 0.0007665100000000 ] - [ 0.0023777700000000, 0.0000000000000000, 0.0020780600000000 ] - [ 0.0012076100000000, 0.0000000000000000, 0.0008063800000000 ] - [ -0.0003362500000000, 0.0000000000000000, -0.0002657200000000 ] - [ -0.0013959000000000, 0.0000000000000000, -0.0009322700000000 ] - [ 0.0003075400000000, 0.0006195400000000, -0.0005051800000000 ] - [ -0.0011393000000000, -0.0002511500000000, -0.0008063500000000 ] - [ 0.0003075400000000, -0.0006195400000000, -0.0005051800000000 ] - [ -0.0011393000000000, 0.0002511500000000, -0.0008063500000000 ] - [ 0.0012402000000000, 0.0018417400000000, -0.0009819000000000 ] - [ -0.0002693700000000, -0.0001779700000000, 0.0003031500000000 ] - [ 0.0012402000000000, -0.0018417400000000, -0.0009819000000000 ] - [ -0.0002693700000000, 0.0001779700000000, 0.0003031500000000 ] - [ 0.0010474200000000, 0.0000000000000000, 0.0002705000000000 ] - [ 0.0000241700000000, 0.0000000000000000, 0.0004381100000000 ]- atom: 1 displacement: [ -0.0099999949782129, 0.0000000000000000, 0.0000100217621775 ] forces: - [ 0.0796304300000000, 0.0000000000000000, -0.0138260500000000 ] - [ -0.0004583200000000, 0.0000000000000000, 0.0002395300000000 ] - [ 0.0020052500000000, -0.0001989400000000, 0.0007393200000000 ] - [ -0.0004269800000000, -0.0000212600000000, 0.0002329700000000 ] - [ 0.0020052500000000, 0.0001989400000000, 0.0007393200000000 ] - [ -0.0004269800000000, 0.0000212600000000, 0.0002329700000000 ] - [ 0.0002872300000000, 0.0046728200000000, 0.0047932500000000 ] - [ -0.0006420800000000, -0.0000339500000000, -0.0003831100000000 ] - [ 0.0002872300000000, -0.0046728200000000, 0.0047932500000000 ] - [ -0.0006420800000000, 0.0000339500000000, -0.0003831100000000 ] - [ 0.0004174000000000, 0.0000000000000000, -0.0002546200000000 ] - [ -0.0006092600000000, 0.0000000000000000, -0.0003994700000000 ] - [ -0.0085523200000000, 0.0000000000000000, -0.0054193900000000 ] - [ -0.0011642500000000, 0.0000000000000000, -0.0002598600000000 ] - [ -0.0005734200000000, -0.0003524500000000, -0.0002679300000000 ] - [ -0.0011580300000000, 0.0000647700000000, -0.0002310700000000 ] - [ -0.0005734200000000, 0.0003524500000000, -0.0002679300000000 ] - [ -0.0011580300000000, -0.0000647700000000, -0.0002310700000000 ] - [ 0.0011186300000000, 0.0000018300000000, -0.0011365200000000 ] - [ 0.0004551400000000, 0.0000490000000000, -0.0000009100000000 ] - [ 0.0011186300000000, -0.0000018300000000, -0.0011365200000000 ] - [ 0.0004551400000000, -0.0000490000000000, -0.0000009100000000 ] - [ 0.0011792600000000, 0.0000000000000000, 0.0002374500000000 ] - [ 0.0004883600000000, 0.0000000000000000, -0.0000443200000000 ] - [ -0.0022645400000000, 0.0000000000000000, 0.0040974400000000 ] - [ -0.0022416400000000, 0.0000000000000000, 0.0001237200000000 ] - [ -0.0005367600000000, -0.0002405300000000, 0.0010934900000000 ] - [ -0.0021823200000000, -0.0000293000000000, 0.0001121700000000 ] - [ -0.0005367600000000, 0.0002405300000000, 0.0010934900000000 ] - [ -0.0021823200000000, 0.0000293000000000, 0.0001121700000000 ] - [ 0.0031428400000000, 0.0001515200000000, -0.0002126400000000 ] - [ 0.0008304600000000, -0.0000308800000000, -0.0005776000000000 ] - [ 0.0031428400000000, -0.0001515200000000, -0.0002126400000000 ] - [ 0.0008304600000000, 0.0000308800000000, -0.0005776000000000 ] - [ 0.0022541800000000, 0.0000000000000000, 0.0000783200000000 ] - [ 0.0009296700000000, 0.0000000000000000, -0.0005613200000000 ] - [ -0.0019115200000000, 0.0000000000000000, -0.0024735000000000 ] - [ -0.0019300000000000, 0.0000000000000000, -0.0025108100000000 ] - [ -0.0016426900000000, -0.0002801200000000, -0.0024127000000000 ] - [ -0.0016127700000000, 0.0001636600000000, -0.0024034200000000 ] - [ -0.0016426900000000, 0.0002801200000000, -0.0024127000000000 ] - [ -0.0016127700000000, -0.0001636600000000, -0.0024034200000000 ] - [ 0.0012379900000000, -0.0000075000000000, 0.0025982700000000 ] - [ 0.0010593000000000, 0.0005697600000000, 0.0017663000000000 ] - [ 0.0012379900000000, 0.0000075000000000, 0.0025982700000000 ] - [ 0.0010593000000000, -0.0005697600000000, 0.0017663000000000 ] - [ 0.0016113300000000, 0.0000000000000000, 0.0022832900000000 ] - [ 0.0014735000000000, 0.0000000000000000, 0.0020587400000000 ] - [ -0.0036474000000000, 0.0000000000000000, 0.0005720700000000 ] - [ -0.0040031000000000, 0.0000000000000000, -0.0029043800000000 ] - [ -0.0030449000000000, -0.0003689600000000, -0.0023484400000000 ] - [ -0.0037135800000000, 0.0000742800000000, -0.0028049400000000 ] - [ -0.0030449000000000, 0.0003689600000000, -0.0023484400000000 ] - [ -0.0037135800000000, -0.0000742800000000, -0.0028049400000000 ] - [ -0.0005904200000000, -0.0052763000000000, 0.0039071700000000 ] - [ 0.0024751200000000, 0.0000811300000000, 0.0022435800000000 ] - [ -0.0005904200000000, 0.0052763000000000, 0.0039071700000000 ] - [ 0.0024751200000000, -0.0000811300000000, 0.0022435800000000 ] - [ 0.0038762200000000, 0.0000000000000000, 0.0028122200000000 ] - [ 0.0025997400000000, 0.0000000000000000, 0.0022952700000000 ] - [ -0.0036659400000000, 0.0000000000000000, -0.0027184500000000 ] - [ 0.0003502000000000, 0.0000000000000000, 0.0002785200000000 ] - [ 0.0000263800000000, 0.0010796900000000, 0.0001692000000000 ] - [ 0.0004442300000000, -0.0001728000000000, 0.0001026400000000 ] - [ 0.0000263800000000, -0.0010796900000000, 0.0001692000000000 ] - [ 0.0004442300000000, 0.0001728000000000, 0.0001026400000000 ] - [ -0.0018643300000000, 0.0011967600000000, -0.0005702600000000 ] - [ -0.0015361200000000, -0.0002302300000000, -0.0004708300000000 ] - [ -0.0018643300000000, -0.0011967600000000, -0.0005702600000000 ] - [ -0.0015361200000000, 0.0002302300000000, -0.0004708300000000 ] - [ -0.0010489800000000, 0.0000000000000000, -0.0002570400000000 ] - [ -0.0014617200000000, 0.0000000000000000, -0.0005215100000000 ] - [ -0.0097736300000000, 0.0000000000000000, 0.0012371000000000 ] - [ -0.0001909200000000, 0.0000000000000000, 0.0007733100000000 ] - [ -0.0014392500000000, 0.0013893200000000, 0.0011963900000000 ] - [ -0.0002523500000000, -0.0000479100000000, 0.0008478200000000 ] - [ -0.0014392500000000, -0.0013893200000000, 0.0011963900000000 ] - [ -0.0002523500000000, 0.0000479100000000, 0.0008478200000000 ] - [ -0.0157931700000000, -0.0144318600000000, -0.0087754900000000 ] - [ 0.0020430400000000, -0.0000481900000000, -0.0003282400000000 ] - [ -0.0157931700000000, 0.0144318600000000, -0.0087754900000000 ] - [ 0.0020430400000000, 0.0000481900000000, -0.0003282400000000 ] - [ -0.0004519700000000, 0.0000000000000000, -0.0009405000000000 ] - [ 0.0019733200000000, 0.0000000000000000, -0.0002768200000000 ] - [ 0.0001516100000000, 0.0000000000000000, -0.0018971400000000 ] - [ 0.0005103700000000, 0.0000000000000000, -0.0018896700000000 ] - [ -0.0005270400000000, -0.0009051100000000, -0.0012076800000000 ] - [ -0.0008189200000000, 0.0005035500000000, -0.0010459600000000 ] - [ -0.0005270400000000, 0.0009051100000000, -0.0012076800000000 ] - [ -0.0008189200000000, -0.0005035500000000, -0.0010459600000000 ] - [ 0.0020015400000000, -0.0004394900000000, 0.0012825300000000 ] - [ 0.0022500000000000, 0.0010760800000000, 0.0025899800000000 ] - [ 0.0020015400000000, 0.0004394900000000, 0.0012825300000000 ] - [ 0.0022500000000000, -0.0010760800000000, 0.0025899800000000 ] - [ 0.0015524000000000, 0.0000000000000000, 0.0014488100000000 ] - [ 0.0017391200000000, 0.0000000000000000, 0.0020215600000000 ] - [ -0.0190621400000000, 0.0000000000000000, 0.0195550600000000 ] - [ -0.0011257700000000, 0.0000000000000000, -0.0008280300000000 ] - [ -0.0040101000000000, -0.0006105400000000, -0.0026872100000000 ] - [ -0.0011793700000000, 0.0000437800000000, -0.0008740100000000 ] - [ -0.0040101000000000, 0.0006105400000000, -0.0026872100000000 ] - [ -0.0011793700000000, -0.0000437800000000, -0.0008740100000000 ] - [ 0.0009414700000000, -0.0002365000000000, -0.0011321000000000 ] - [ 0.0025610600000000, 0.0001264000000000, 0.0017950800000000 ] - [ 0.0009414700000000, 0.0002365000000000, -0.0011321000000000 ] - [ 0.0025610600000000, -0.0001264000000000, 0.0017950800000000 ] - [ 0.0012990000000000, 0.0000000000000000, 0.0004775500000000 ] - [ 0.0024642000000000, 0.0000000000000000, 0.0017456200000000 ] - [ -0.0006894200000000, 0.0000000000000000, -0.0006694800000000 ] - [ 0.0003751300000000, 0.0000000000000000, -0.0000035600000000 ] - [ -0.0013253300000000, -0.0005960900000000, -0.0004234600000000 ] - [ 0.0001172300000000, 0.0002685400000000, -0.0001232200000000 ] - [ -0.0013253300000000, 0.0005960900000000, -0.0004234600000000 ] - [ 0.0001172300000000, -0.0002685400000000, -0.0001232200000000 ] - [ -0.0002067400000000, -0.0018158000000000, 0.0019055100000000 ] - [ 0.0012860300000000, 0.0001977400000000, 0.0006246700000000 ] - [ -0.0002067400000000, 0.0018158000000000, 0.0019055100000000 ] - [ 0.0012860300000000, -0.0001977400000000, 0.0006246700000000 ] - [ -0.0000269400000000, 0.0000000000000000, 0.0006614000000000 ] - [ 0.0009917900000000, 0.0000000000000000, 0.0004937500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006840500000000, -0.0707972400000000, 0.0009964500000000 ] - [ 0.0000659600000000, -0.0000153600000000, 0.0002900200000000 ] - [ -0.0001214400000000, 0.0052147700000000, 0.0005572700000000 ] - [ 0.0000528600000000, -0.0000027800000000, 0.0002761900000000 ] - [ 0.0002425000000000, 0.0051787500000000, 0.0000194100000000 ] - [ 0.0000712000000000, 0.0000201900000000, 0.0002968400000000 ] - [ -0.0047305700000000, 0.0036053800000000, 0.0061992600000000 ] - [ -0.0000405000000000, -0.0000172900000000, -0.0003018000000000 ] - [ 0.0046338500000000, 0.0036343400000000, -0.0068246900000000 ] - [ -0.0000848300000000, 0.0000053200000000, -0.0002715200000000 ] - [ -0.0000633300000000, 0.0009472000000000, -0.0002911400000000 ] - [ -0.0000667400000000, 0.0000325400000000, -0.0002893900000000 ] - [ -0.0007787600000000, -0.0013333300000000, -0.0001849200000000 ] - [ -0.0007718200000000, -0.0001638400000000, -0.0001823000000000 ] - [ -0.0004871500000000, 0.0000652300000000, 0.0001023900000000 ] - [ -0.0008676400000000, 0.0000621100000000, -0.0002025100000000 ] - [ -0.0010624700000000, 0.0000970400000000, -0.0004889400000000 ] - [ -0.0006826000000000, 0.0000937200000000, -0.0001862200000000 ] - [ 0.0010669700000000, -0.0006641300000000, 0.0032827200000000 ] - [ 0.0007727500000000, -0.0000417000000000, 0.0002032100000000 ] - [ 0.0004866800000000, -0.0006380300000000, -0.0029162900000000 ] - [ 0.0007763800000000, -0.0000093200000000, 0.0001831900000000 ] - [ 0.0007724400000000, 0.0006206600000000, 0.0001779300000000 ] - [ 0.0007708500000000, 0.0000316600000000, 0.0001818100000000 ] - [ -0.0014790300000000, -0.0004895000000000, 0.0003571700000000 ] - [ -0.0014866700000000, -0.0000349900000000, 0.0003716600000000 ] - [ -0.0015459200000000, 0.0004994100000000, 0.0003820900000000 ] - [ -0.0014907500000000, -0.0000050900000000, 0.0003566900000000 ] - [ -0.0014208300000000, 0.0005383700000000, 0.0003572800000000 ] - [ -0.0014829400000000, 0.0000351700000000, 0.0003822900000000 ] - [ 0.0013445800000000, 0.0002348600000000, -0.0014016600000000 ] - [ 0.0015519000000000, -0.0000431800000000, -0.0003797600000000 ] - [ 0.0016230100000000, 0.0002660800000000, 0.0006583600000000 ] - [ 0.0014187400000000, -0.0000046100000000, -0.0003598800000000 ] - [ 0.0014873900000000, 0.0007268200000000, -0.0003712200000000 ] - [ 0.0014854500000000, 0.0000441500000000, -0.0003720300000000 ] - [ -0.0015679700000000, -0.0001865100000000, -0.0022229600000000 ] - [ -0.0015663400000000, -0.0005838700000000, -0.0022223000000000 ] - [ -0.0014609900000000, 0.0000729900000000, -0.0022398100000000 ] - [ -0.0017646200000000, 0.0002518400000000, -0.0023032800000000 ] - [ -0.0016747500000000, 0.0000969300000000, -0.0021977000000000 ] - [ -0.0013707100000000, 0.0002762900000000, -0.0021352700000000 ] - [ 0.0019820300000000, -0.0003621600000000, 0.0019464600000000 ] - [ 0.0015192000000000, -0.0001692200000000, 0.0022495800000000 ] - [ 0.0011551900000000, -0.0003393600000000, 0.0024861400000000 ] - [ 0.0016145300000000, -0.0001462200000000, 0.0021876600000000 ] - [ 0.0015666000000000, 0.0004697300000000, 0.0022221800000000 ] - [ 0.0015661200000000, 0.0001508500000000, 0.0022218900000000 ] - [ -0.0031171700000000, -0.0007206100000000, -0.0025085600000000 ] - [ -0.0031159300000000, -0.0001810300000000, -0.0025133600000000 ] - [ -0.0026541500000000, 0.0005956100000000, -0.0024799600000000 ] - [ -0.0032635000000000, 0.0000791100000000, -0.0025599600000000 ] - [ -0.0035881600000000, 0.0006173400000000, -0.0025341100000000 ] - [ -0.0029822900000000, 0.0001014900000000, -0.0024534900000000 ] - [ 0.0068644600000000, 0.0016664800000000, 0.0011097100000000 ] - [ 0.0030880500000000, -0.0000248000000000, 0.0025002400000000 ] - [ -0.0006266900000000, 0.0016759200000000, 0.0039146400000000 ] - [ 0.0031540900000000, -0.0000033600000000, 0.0025126100000000 ] - [ 0.0031165200000000, 0.0011823500000000, 0.0025144900000000 ] - [ 0.0031145100000000, 0.0000384600000000, 0.0025132400000000 ] - [ 0.0009050900000000, -0.0020505400000000, 0.0002320600000000 ] - [ 0.0008962100000000, -0.0000812500000000, 0.0002252400000000 ] - [ -0.0016944500000000, 0.0026194200000000, -0.0003533200000000 ] - [ 0.0009205600000000, 0.0000438500000000, 0.0002236200000000 ] - [ 0.0034713900000000, 0.0026225800000000, 0.0008207900000000 ] - [ 0.0008690600000000, 0.0000592000000000, 0.0002450000000000 ] - [ -0.0010953300000000, -0.0002274600000000, -0.0003049400000000 ] - [ -0.0007397900000000, -0.0002522800000000, -0.0001933000000000 ] - [ -0.0007009100000000, -0.0002132000000000, -0.0001680000000000 ] - [ -0.0010524200000000, -0.0002385900000000, -0.0002770000000000 ] - [ -0.0008964500000000, 0.0004188400000000, -0.0002258100000000 ] - [ -0.0008993600000000, 0.0008171100000000, -0.0002256800000000 ] - [ -0.0011820700000000, 0.0042180600000000, 0.0005962200000000 ] - [ -0.0011657100000000, 0.0001632400000000, 0.0005887200000000 ] - [ -0.0026099800000000, -0.0013722000000000, 0.0001263600000000 ] - [ -0.0010969200000000, -0.0000854100000000, 0.0005591300000000 ] - [ 0.0002931800000000, -0.0013934800000000, 0.0010502100000000 ] - [ -0.0012153100000000, -0.0001019300000000, 0.0006169900000000 ] - [ 0.0138671400000000, 0.0227765700000000, 0.0108917400000000 ] - [ 0.0011637800000000, 0.0000283000000000, -0.0005925800000000 ] - [ -0.0122092700000000, 0.0234494600000000, -0.0126647500000000 ] - [ 0.0011526100000000, 0.0000128100000000, -0.0005821000000000 ] - [ 0.0011673700000000, -0.0036122700000000, -0.0005846500000000 ] - [ 0.0011677500000000, -0.0000453500000000, -0.0005881400000000 ] - [ -0.0013686300000000, 0.0017037200000000, -0.0013704900000000 ] - [ -0.0013643900000000, 0.0000849300000000, -0.0013696400000000 ] - [ -0.0005178400000000, -0.0008756100000000, -0.0013997000000000 ] - [ -0.0015270100000000, -0.0000791800000000, -0.0013485400000000 ] - [ -0.0022191800000000, -0.0008949500000000, -0.0013576200000000 ] - [ -0.0012064600000000, -0.0000963800000000, -0.0014033200000000 ] - [ 0.0015154900000000, 0.0002033300000000, 0.0013928500000000 ] - [ 0.0005994400000000, 0.0006682400000000, 0.0012111500000000 ] - [ 0.0012204500000000, 0.0001899800000000, 0.0013594600000000 ] - [ 0.0021400500000000, 0.0006597200000000, 0.0015419000000000 ] - [ 0.0013673100000000, -0.0004095600000000, 0.0013724900000000 ] - [ 0.0013687200000000, -0.0013906900000000, 0.0013750400000000 ] - [ -0.0018017000000000, 0.0030396800000000, -0.0013160200000000 ] - [ -0.0018388000000000, 0.0000692900000000, -0.0012693900000000 ] - [ -0.0014544200000000, -0.0013361800000000, -0.0026378900000000 ] - [ -0.0018296200000000, -0.0000314700000000, -0.0012673500000000 ] - [ -0.0022196600000000, -0.0013575400000000, 0.0000808200000000 ] - [ -0.0018429000000000, -0.0000395100000000, -0.0012796800000000 ] - [ 0.0024656500000000, 0.0004482200000000, 0.0000876700000000 ] - [ 0.0017884400000000, 0.0000749400000000, 0.0012671700000000 ] - [ 0.0012067900000000, 0.0004476400000000, 0.0024630300000000 ] - [ 0.0018869900000000, 0.0000683400000000, 0.0012818300000000 ] - [ 0.0018387100000000, -0.0010592800000000, 0.0012695900000000 ] - [ 0.0018406600000000, -0.0001461500000000, 0.0012701800000000 ] - [ -0.0004951400000000, 0.0023462800000000, -0.0004434200000000 ] - [ -0.0004883000000000, 0.0000665200000000, -0.0004472200000000 ] - [ -0.0002572100000000, -0.0011578500000000, 0.0000421700000000 ] - [ -0.0005652500000000, -0.0000083200000000, -0.0004410300000000 ] - [ -0.0007278100000000, -0.0011754400000000, -0.0009249500000000 ] - [ -0.0004147900000000, -0.0000280500000000, -0.0004483300000000 ] - [ 0.0013210000000000, 0.0003889800000000, 0.0005374300000000 ] - [ 0.0001719500000000, 0.0001692900000000, 0.0003927300000000 ] - [ -0.0003317900000000, 0.0003731600000000, 0.0003548200000000 ] - [ 0.0008113400000000, 0.0001510400000000, 0.0004982900000000 ] - [ 0.0004892100000000, -0.0005723000000000, 0.0004462800000000 ] - [ 0.0004909000000000, -0.0003019500000000, 0.0004479000000000 ]- atom: 1 displacement: [ -0.0032316847127924, 0.0000000000000000, 0.0094634144956831 ] forces: - [ 0.0397425900000000, 0.0000000000000000, -0.0854450200000000 ] - [ -0.0000431600000000, 0.0000000000000000, 0.0002656900000000 ] - [ 0.0002753800000000, -0.0003349600000000, -0.0009208100000000 ] - [ -0.0000322800000000, -0.0000044900000000, 0.0002618500000000 ] - [ 0.0002753800000000, 0.0003349600000000, -0.0009208100000000 ] - [ -0.0000322800000000, 0.0000044900000000, 0.0002618500000000 ] - [ -0.0047422600000000, 0.0076157700000000, 0.0077462200000000 ] - [ -0.0001697800000000, -0.0000332200000000, -0.0003215800000000 ] - [ -0.0047422600000000, -0.0076157700000000, 0.0077462200000000 ] - [ -0.0001697800000000, 0.0000332200000000, -0.0003215800000000 ] - [ 0.0000428700000000, 0.0000000000000000, -0.0001963100000000 ] - [ -0.0001492500000000, 0.0000000000000000, -0.0003126800000000 ] - [ 0.0010081600000000, 0.0000000000000000, -0.0018115500000000 ] - [ -0.0009537200000000, 0.0000000000000000, -0.0001956500000000 ] - [ -0.0006215800000000, 0.0000957500000000, -0.0007607300000000 ] - [ -0.0009617200000000, 0.0000505800000000, -0.0001956800000000 ] - [ -0.0006215800000000, -0.0000957500000000, -0.0007607300000000 ] - [ -0.0009617200000000, -0.0000505800000000, -0.0001956800000000 ] - [ 0.0008455800000000, 0.0001047700000000, 0.0013919100000000 ] - [ 0.0007233400000000, -0.0000338100000000, 0.0002356300000000 ] - [ 0.0008455800000000, -0.0001047700000000, 0.0013919100000000 ] - [ 0.0007233400000000, 0.0000338100000000, 0.0002356300000000 ] - [ 0.0008307600000000, 0.0000000000000000, 0.0003964300000000 ] - [ 0.0007354500000000, 0.0000000000000000, 0.0002461500000000 ] - [ -0.0042999200000000, 0.0000000000000000, 0.0093117800000000 ] - [ -0.0015308500000000, 0.0000000000000000, 0.0003703900000000 ] - [ -0.0015800100000000, 0.0000814000000000, 0.0011320600000000 ] - [ -0.0015287000000000, -0.0000108900000000, 0.0003505100000000 ] - [ -0.0015800100000000, -0.0000814000000000, 0.0011320600000000 ] - [ -0.0015287000000000, 0.0000108900000000, 0.0003505100000000 ] - [ 0.0029273800000000, -0.0028228300000000, 0.0031741700000000 ] - [ 0.0013039600000000, -0.0000320700000000, -0.0003876900000000 ] - [ 0.0029273800000000, 0.0028228300000000, 0.0031741700000000 ] - [ 0.0013039600000000, 0.0000320700000000, -0.0003876900000000 ] - [ 0.0018256800000000, 0.0000000000000000, -0.0001307100000000 ] - [ 0.0014047100000000, 0.0000000000000000, -0.0003833300000000 ] - [ -0.0014418300000000, 0.0000000000000000, -0.0019611200000000 ] - [ -0.0018543100000000, 0.0000000000000000, -0.0019466900000000 ] - [ -0.0014530300000000, 0.0001244500000000, -0.0020318700000000 ] - [ -0.0015575700000000, 0.0000109700000000, -0.0019744500000000 ] - [ -0.0014530300000000, -0.0001244500000000, -0.0020318700000000 ] - [ -0.0015575700000000, -0.0000109700000000, -0.0019744500000000 ] - [ 0.0011627700000000, -0.0000180600000000, 0.0028278200000000 ] - [ 0.0017356200000000, -0.0000176700000000, 0.0021300700000000 ] - [ 0.0011627700000000, 0.0000180600000000, 0.0028278200000000 ] - [ 0.0017356200000000, 0.0000176700000000, 0.0021300700000000 ] - [ 0.0015408600000000, 0.0000000000000000, 0.0024571600000000 ] - [ 0.0016068400000000, 0.0000000000000000, 0.0021058300000000 ] - [ -0.0035026700000000, 0.0000000000000000, -0.0004527000000000 ] - [ -0.0031048500000000, 0.0000000000000000, -0.0025072000000000 ] - [ -0.0035274400000000, -0.0002934700000000, -0.0020563100000000 ] - [ -0.0030911200000000, -0.0000040300000000, -0.0025402300000000 ] - [ -0.0035274400000000, 0.0002934700000000, -0.0020563100000000 ] - [ -0.0030911200000000, 0.0000040300000000, -0.0025402300000000 ] - [ -0.0012828800000000, -0.0052632900000000, 0.0010895300000000 ] - [ 0.0029841200000000, -0.0000254100000000, 0.0024214500000000 ] - [ -0.0012828800000000, 0.0052632900000000, 0.0010895300000000 ] - [ 0.0029841200000000, 0.0000254100000000, 0.0024214500000000 ] - [ 0.0031635200000000, 0.0000000000000000, 0.0022639800000000 ] - [ 0.0029854900000000, 0.0000000000000000, 0.0024496300000000 ] - [ 0.0025979100000000, 0.0000000000000000, -0.0003681400000000 ] - [ 0.0007187700000000, 0.0000000000000000, 0.0001760400000000 ] - [ 0.0023774800000000, -0.0011082700000000, 0.0003857300000000 ] - [ 0.0007116200000000, -0.0000569500000000, 0.0002255300000000 ] - [ 0.0023774800000000, 0.0011082700000000, 0.0003857300000000 ] - [ 0.0007116200000000, 0.0000569500000000, 0.0002255300000000 ] - [ -0.0017368200000000, 0.0006156400000000, -0.0006877300000000 ] - [ -0.0011031400000000, 0.0000476800000000, -0.0005404400000000 ] - [ -0.0017368200000000, -0.0006156400000000, -0.0006877300000000 ] - [ -0.0011031400000000, -0.0000476800000000, -0.0005404400000000 ] - [ -0.0011159800000000, 0.0000000000000000, -0.0002836900000000 ] - [ -0.0008224800000000, 0.0000000000000000, -0.0006185400000000 ] - [ -0.0082542100000000, 0.0000000000000000, 0.0063504600000000 ] - [ -0.0009789600000000, 0.0000000000000000, 0.0006755500000000 ] - [ -0.0005885500000000, 0.0013166000000000, 0.0021582600000000 ] - [ -0.0010196600000000, -0.0000560700000000, 0.0006360500000000 ] - [ -0.0005885500000000, -0.0013166000000000, 0.0021582600000000 ] - [ -0.0010196600000000, 0.0000560700000000, 0.0006360500000000 ] - [ 0.0031215500000000, 0.0065434600000000, 0.0107157000000000 ] - [ 0.0013584200000000, 0.0000140000000000, -0.0005481400000000 ] - [ 0.0031215500000000, -0.0065434600000000, 0.0107157000000000 ] - [ 0.0013584200000000, -0.0000140000000000, -0.0005481400000000 ] - [ 0.0009110700000000, 0.0000000000000000, -0.0004012300000000 ] - [ 0.0013603900000000, 0.0000000000000000, -0.0005408500000000 ] - [ 0.0000678100000000, 0.0000000000000000, -0.0005048400000000 ] - [ -0.0011535000000000, 0.0000000000000000, -0.0008287400000000 ] - [ -0.0002566800000000, -0.0010179100000000, -0.0005919000000000 ] - [ -0.0012007700000000, 0.0002040000000000, -0.0010018200000000 ] - [ -0.0002566800000000, 0.0010179100000000, -0.0005919000000000 ] - [ -0.0012007700000000, -0.0002040000000000, -0.0010018200000000 ] - [ 0.0017220900000000, -0.0000601400000000, 0.0010411900000000 ] - [ 0.0010049000000000, 0.0000499900000000, 0.0010784900000000 ] - [ 0.0017220900000000, 0.0000601400000000, 0.0010411900000000 ] - [ 0.0010049000000000, -0.0000499900000000, 0.0010784900000000 ] - [ 0.0015795800000000, 0.0000000000000000, 0.0012945100000000 ] - [ 0.0013711400000000, 0.0000000000000000, 0.0009512300000000 ] - [ -0.0264660000000000, 0.0000000000000000, 0.0323849600000000 ] - [ -0.0016815100000000, 0.0000000000000000, -0.0011586400000000 ] - [ -0.0023917000000000, -0.0018864300000000, -0.0011395300000000 ] - [ -0.0017061900000000, -0.0000216900000000, -0.0011751900000000 ] - [ -0.0023917000000000, 0.0018864300000000, -0.0011395300000000 ] - [ -0.0017061900000000, 0.0000216900000000, -0.0011751900000000 ] - [ 0.0020332000000000, 0.0012631600000000, -0.0039568500000000 ] - [ 0.0018662700000000, 0.0000238800000000, 0.0012873600000000 ] - [ 0.0020332000000000, -0.0012631600000000, -0.0039568500000000 ] - [ 0.0018662700000000, -0.0000238800000000, 0.0012873600000000 ] - [ 0.0017069300000000, 0.0000000000000000, 0.0003132600000000 ] - [ 0.0018578000000000, 0.0000000000000000, 0.0012939900000000 ] - [ 0.0015061800000000, 0.0000000000000000, -0.0018834700000000 ] - [ -0.0005242500000000, 0.0000000000000000, -0.0004532900000000 ] - [ -0.0004144400000000, 0.0000360500000000, -0.0011680000000000 ] - [ -0.0005128200000000, -0.0000180900000000, -0.0004182400000000 ] - [ -0.0004144400000000, -0.0000360500000000, -0.0011680000000000 ] - [ -0.0005128200000000, 0.0000180900000000, -0.0004182400000000 ] - [ -0.0012817100000000, -0.0001609400000000, 0.0008593000000000 ] - [ 0.0009236700000000, 0.0001181000000000, 0.0003230300000000 ] - [ -0.0012817100000000, 0.0001609400000000, 0.0008593000000000 ] - [ 0.0009236700000000, -0.0001181000000000, 0.0003230300000000 ] - [ 0.0000415600000000, 0.0000000000000000, 0.0006994400000000 ] - [ 0.0006382800000000, 0.0000000000000000, 0.0002685800000000 ]- atom: 1 displacement: [ 0.0032316847127924, 0.0000000000000000, -0.0094634144956831 ] forces: - [ -0.0387587300000000, 0.0000000000000000, 0.0841751100000000 ] - [ 0.0002156500000000, 0.0000000000000000, 0.0003272600000000 ] - [ -0.0001099300000000, 0.0002923000000000, 0.0014947600000000 ] - [ 0.0001980100000000, -0.0000186500000000, 0.0003243400000000 ] - [ -0.0001099300000000, -0.0002923000000000, 0.0014947600000000 ] - [ 0.0001980100000000, 0.0000186500000000, 0.0003243400000000 ] - [ 0.0046200600000000, -0.0077375700000000, -0.0083800600000000 ] - [ 0.0000074700000000, 0.0000103900000000, -0.0002642800000000 ] - [ 0.0046200600000000, 0.0077375700000000, -0.0083800600000000 ] - [ 0.0000074700000000, -0.0000103900000000, -0.0002642800000000 ] - [ -0.0002204600000000, 0.0000000000000000, -0.0003914900000000 ] - [ -0.0000203100000000, 0.0000000000000000, -0.0002795500000000 ] - [ -0.0026064900000000, 0.0000000000000000, 0.0014414900000000 ] - [ -0.0006059700000000, 0.0000000000000000, -0.0001467100000000 ] - [ -0.0009438100000000, -0.0001284800000000, 0.0003928300000000 ] - [ -0.0006044900000000, -0.0000822700000000, -0.0001718700000000 ] - [ -0.0009438100000000, 0.0001284800000000, 0.0003928300000000 ] - [ -0.0006044900000000, 0.0000822700000000, -0.0001718700000000 ] - [ 0.0007169100000000, -0.0001421200000000, -0.0009983600000000 ] - [ 0.0008432900000000, 0.0000018900000000, 0.0001317300000000 ] - [ 0.0007169100000000, 0.0001421200000000, -0.0009983600000000 ] - [ 0.0008432900000000, -0.0000018900000000, 0.0001317300000000 ] - [ 0.0007264700000000, 0.0000000000000000, -0.0000496100000000 ] - [ 0.0008251300000000, 0.0000000000000000, 0.0000968600000000 ] - [ 0.0012742100000000, 0.0000000000000000, -0.0084834200000000 ] - [ -0.0014552400000000, 0.0000000000000000, 0.0003683100000000 ] - [ -0.0014137900000000, -0.0001170200000000, -0.0003981800000000 ] - [ -0.0014572700000000, -0.0000282900000000, 0.0003842800000000 ] - [ -0.0014137900000000, 0.0001170200000000, -0.0003981800000000 ] - [ -0.0014572700000000, 0.0000282900000000, 0.0003842800000000 ] - [ 0.0000766400000000, 0.0027543500000000, -0.0038780900000000 ] - [ 0.0016848100000000, -0.0000061100000000, -0.0003450400000000 ] - [ 0.0000766400000000, -0.0027543500000000, -0.0038780900000000 ] - [ 0.0016848100000000, 0.0000061100000000, -0.0003450400000000 ] - [ 0.0011643200000000, 0.0000000000000000, -0.0006084600000000 ] - [ 0.0015851200000000, 0.0000000000000000, -0.0003532000000000 ] - [ -0.0017009700000000, 0.0000000000000000, -0.0024748000000000 ] - [ -0.0012938600000000, 0.0000000000000000, -0.0024794000000000 ] - [ -0.0016916200000000, -0.0001487500000000, -0.0023957000000000 ] - [ -0.0015909500000000, -0.0000357200000000, -0.0024496400000000 ] - [ -0.0016916200000000, 0.0001487500000000, -0.0023957000000000 ] - [ -0.0015909500000000, 0.0000357200000000, -0.0024496400000000 ] - [ 0.0019815300000000, -0.0000061600000000, 0.0016014500000000 ] - [ 0.0014119600000000, -0.0000021000000000, 0.0022945700000000 ] - [ 0.0019815300000000, 0.0000061600000000, 0.0016014500000000 ] - [ 0.0014119600000000, 0.0000021000000000, 0.0022945700000000 ] - [ 0.0016037600000000, 0.0000000000000000, 0.0019802700000000 ] - [ 0.0015398700000000, 0.0000000000000000, 0.0023294600000000 ] - [ -0.0027414200000000, 0.0000000000000000, -0.0045698100000000 ] - [ -0.0031328700000000, 0.0000000000000000, -0.0025238700000000 ] - [ -0.0027233400000000, 0.0002781900000000, -0.0029602600000000 ] - [ -0.0031620300000000, -0.0000184700000000, -0.0024795300000000 ] - [ -0.0027233400000000, -0.0002781900000000, -0.0029602600000000 ] - [ -0.0031620300000000, 0.0000184700000000, -0.0024795300000000 ] - [ 0.0074998700000000, 0.0051935800000000, 0.0039043400000000 ] - [ 0.0032725700000000, 0.0000043000000000, 0.0026001500000000 ] - [ 0.0074998700000000, -0.0051935800000000, 0.0039043400000000 ] - [ 0.0032725700000000, -0.0000043000000000, 0.0026001500000000 ] - [ 0.0030794600000000, 0.0000000000000000, 0.0027660500000000 ] - [ 0.0032587100000000, 0.0000000000000000, 0.0025857000000000 ] - [ -0.0007079000000000, 0.0000000000000000, 0.0008838900000000 ] - [ 0.0011147200000000, 0.0000000000000000, 0.0003046700000000 ] - [ -0.0005315400000000, 0.0010819800000000, 0.0001074000000000 ] - [ 0.0011197100000000, 0.0000402300000000, 0.0002724500000000 ] - [ -0.0005315400000000, -0.0010819800000000, 0.0001074000000000 ] - [ 0.0011197100000000, -0.0000402300000000, 0.0002724500000000 ] - [ -0.0000922100000000, -0.0006366100000000, 0.0001934400000000 ] - [ -0.0007255700000000, -0.0000611500000000, 0.0000403900000000 ] - [ -0.0000922100000000, 0.0006366100000000, 0.0001934400000000 ] - [ -0.0007255700000000, 0.0000611500000000, 0.0000403900000000 ] - [ -0.0007161400000000, 0.0000000000000000, -0.0001923000000000 ] - [ -0.0010066500000000, 0.0000000000000000, 0.0001365600000000 ] - [ 0.0064513900000000, 0.0000000000000000, -0.0054103200000000 ] - [ -0.0013634500000000, 0.0000000000000000, 0.0004637100000000 ] - [ -0.0017197700000000, -0.0013000900000000, -0.0010304400000000 ] - [ -0.0013038000000000, 0.0000714400000000, 0.0005008000000000 ] - [ -0.0017197700000000, 0.0013000900000000, -0.0010304400000000 ] - [ -0.0013038000000000, -0.0000714400000000, 0.0005008000000000 ] - [ -0.0009009700000000, -0.0066033100000000, -0.0117710400000000 ] - [ 0.0009604000000000, 0.0000011600000000, -0.0005891500000000 ] - [ -0.0009009700000000, 0.0066033100000000, -0.0117710400000000 ] - [ 0.0009604000000000, -0.0000011600000000, -0.0005891500000000 ] - [ 0.0014270400000000, 0.0000000000000000, -0.0007407900000000 ] - [ 0.0009774700000000, 0.0000000000000000, -0.0005978400000000 ] - [ -0.0027978500000000, 0.0000000000000000, -0.0022602300000000 ] - [ -0.0015786600000000, 0.0000000000000000, -0.0019606400000000 ] - [ -0.0024747400000000, 0.0010266400000000, -0.0021913300000000 ] - [ -0.0015409800000000, -0.0001874400000000, -0.0017940600000000 ] - [ -0.0024747400000000, -0.0010266400000000, -0.0021913300000000 ] - [ -0.0015409800000000, 0.0001874400000000, -0.0017940600000000 ] - [ 0.0010126100000000, 0.0000749700000000, 0.0017504900000000 ] - [ 0.0017284400000000, -0.0000470100000000, 0.0017007400000000 ] - [ 0.0010126100000000, -0.0000749700000000, 0.0017504900000000 ] - [ 0.0017284400000000, 0.0000470100000000, 0.0017007400000000 ] - [ 0.0011541300000000, 0.0000000000000000, 0.0014867800000000 ] - [ 0.0013648100000000, 0.0000000000000000, 0.0018235600000000 ] - [ 0.0215731400000000, 0.0000000000000000, -0.0330646000000000 ] - [ -0.0019920200000000, 0.0000000000000000, -0.0013913100000000 ] - [ -0.0012799300000000, 0.0018791200000000, -0.0014043700000000 ] - [ -0.0019619700000000, 0.0000292900000000, -0.0013837300000000 ] - [ -0.0012799300000000, -0.0018791200000000, -0.0014043700000000 ] - [ -0.0019619700000000, -0.0000292900000000, -0.0013837300000000 ] - [ 0.0016303000000000, -0.0012383800000000, 0.0064920500000000 ] - [ 0.0017983600000000, -0.0000176400000000, 0.0012683200000000 ] - [ 0.0016303000000000, 0.0012383800000000, 0.0064920500000000 ] - [ 0.0017983600000000, 0.0000176400000000, 0.0012683200000000 ] - [ 0.0019694300000000, 0.0000000000000000, 0.0022334000000000 ] - [ 0.0018129900000000, 0.0000000000000000, 0.0012536800000000 ] - [ -0.0024873500000000, 0.0000000000000000, 0.0009585800000000 ] - [ -0.0004937300000000, 0.0000000000000000, -0.0004607300000000 ] - [ -0.0005962100000000, -0.0000154100000000, 0.0002505200000000 ] - [ -0.0005080300000000, 0.0000390300000000, -0.0004911100000000 ] - [ -0.0005962100000000, 0.0000154100000000, 0.0002505200000000 ] - [ -0.0005080300000000, -0.0000390300000000, -0.0004911100000000 ] - [ 0.0022811300000000, 0.0001678500000000, 0.0000656500000000 ] - [ 0.0000963900000000, -0.0000995200000000, 0.0005854400000000 ] - [ 0.0022811300000000, -0.0001678500000000, 0.0000656500000000 ] - [ 0.0000963900000000, 0.0000995200000000, 0.0005854400000000 ] - [ 0.0009701500000000, 0.0000000000000000, 0.0002183400000000 ] - [ 0.0003770800000000, 0.0000000000000000, 0.0006456500000000 ]- atom: 13 displacement: [ 0.0099999949782129, 0.0000000000000000, -0.0000100217621775 ] forces: - [ 0.0078754100000000, 0.0000000000000000, 0.0048485900000000 ] - [ 0.0004817400000000, 0.0000000000000000, 0.0002433100000000 ] - [ -0.0001174100000000, -0.0003001100000000, 0.0003918300000000 ] - [ 0.0004682600000000, 0.0000820900000000, 0.0002312400000000 ] - [ -0.0001174100000000, 0.0003001100000000, 0.0003918300000000 ] - [ 0.0004682600000000, -0.0000820900000000, 0.0002312400000000 ] - [ -0.0004266500000000, 0.0002806500000000, -0.0003371900000000 ] - [ 0.0002371500000000, -0.0000132500000000, -0.0002438200000000 ] - [ -0.0004266500000000, -0.0002806500000000, -0.0003371900000000 ] - [ 0.0002371500000000, 0.0000132500000000, -0.0002438200000000 ] - [ -0.0004944600000000, 0.0000000000000000, -0.0003772400000000 ] - [ 0.0001964100000000, 0.0000000000000000, -0.0002437800000000 ] - [ -0.0445920200000000, 0.0000000000000000, -0.0001847200000000 ] - [ -0.0005265800000000, 0.0000000000000000, -0.0000693100000000 ] - [ -0.0017684400000000, -0.0008269100000000, -0.0001489100000000 ] - [ -0.0005389900000000, -0.0000292000000000, -0.0000843500000000 ] - [ -0.0017684400000000, 0.0008269100000000, -0.0001489100000000 ] - [ -0.0005389900000000, 0.0000292000000000, -0.0000843500000000 ] - [ 0.0009353600000000, 0.0000197300000000, 0.0005455000000000 ] - [ 0.0006825100000000, -0.0000801800000000, 0.0001874200000000 ] - [ 0.0009353600000000, -0.0000197300000000, 0.0005455000000000 ] - [ 0.0006825100000000, 0.0000801800000000, 0.0001874200000000 ] - [ 0.0008743800000000, 0.0000000000000000, 0.0002555800000000 ] - [ 0.0007738800000000, 0.0000000000000000, 0.0007501100000000 ] - [ -0.0012579900000000, 0.0000000000000000, 0.0000156500000000 ] - [ -0.0011752100000000, 0.0000000000000000, 0.0005935100000000 ] - [ -0.0012247700000000, -0.0003123200000000, 0.0000792600000000 ] - [ -0.0010192600000000, 0.0001189900000000, 0.0006637100000000 ] - [ -0.0012247700000000, 0.0003123200000000, 0.0000792600000000 ] - [ -0.0010192600000000, -0.0001189900000000, 0.0006637100000000 ] - [ 0.0031269000000000, 0.0015243500000000, -0.0016403000000000 ] - [ 0.0020344500000000, -0.0000366200000000, -0.0001801700000000 ] - [ 0.0031269000000000, -0.0015243500000000, -0.0016403000000000 ] - [ 0.0020344500000000, 0.0000366200000000, -0.0001801700000000 ] - [ 0.0011622400000000, 0.0000000000000000, -0.0005571900000000 ] - [ 0.0020380300000000, 0.0000000000000000, -0.0001906900000000 ] - [ -0.0027840000000000, 0.0000000000000000, -0.0030542100000000 ] - [ -0.0013143500000000, 0.0000000000000000, -0.0020293700000000 ] - [ -0.0018409400000000, -0.0008795900000000, -0.0033203300000000 ] - [ -0.0013409800000000, -0.0000512700000000, -0.0020774600000000 ] - [ -0.0018409400000000, 0.0008795900000000, -0.0033203300000000 ] - [ -0.0013409800000000, 0.0000512700000000, -0.0020774600000000 ] - [ 0.0018270700000000, 0.0000141300000000, 0.0022731100000000 ] - [ 0.0045759400000000, -0.0047087800000000, 0.0064123300000000 ] - [ 0.0018270700000000, -0.0000141300000000, 0.0022731100000000 ] - [ 0.0045759400000000, 0.0047087800000000, 0.0064123300000000 ] - [ 0.0017914800000000, 0.0000000000000000, 0.0023011200000000 ] - [ 0.0010869300000000, 0.0000000000000000, 0.0020064100000000 ] - [ -0.0043472300000000, 0.0000000000000000, -0.0023919400000000 ] - [ -0.0026658700000000, 0.0000000000000000, -0.0023134100000000 ] - [ -0.0036915800000000, 0.0001287000000000, -0.0031231300000000 ] - [ -0.0026924700000000, -0.0000389400000000, -0.0023201100000000 ] - [ -0.0036915800000000, -0.0001287000000000, -0.0031231300000000 ] - [ -0.0026924700000000, 0.0000389400000000, -0.0023201100000000 ] - [ 0.0036095700000000, 0.0002695000000000, 0.0026372200000000 ] - [ 0.0042286300000000, -0.0011391100000000, 0.0029498200000000 ] - [ 0.0036095700000000, -0.0002695000000000, 0.0026372200000000 ] - [ 0.0042286300000000, 0.0011391100000000, 0.0029498200000000 ] - [ 0.0033996800000000, 0.0000000000000000, 0.0026594600000000 ] - [ 0.0032272100000000, 0.0000000000000000, 0.0025603800000000 ] - [ 0.0018007300000000, 0.0000000000000000, 0.0007213600000000 ] - [ 0.0012092900000000, 0.0000000000000000, -0.0021308500000000 ] - [ 0.0013199100000000, -0.0001708100000000, 0.0004106500000000 ] - [ 0.0008493200000000, 0.0002521000000000, 0.0001209100000000 ] - [ 0.0013199100000000, 0.0001708100000000, 0.0004106500000000 ] - [ 0.0008493200000000, -0.0002521000000000, 0.0001209100000000 ] - [ -0.0002782800000000, -0.0035438500000000, -0.0048613500000000 ] - [ -0.0005622300000000, 0.0000458600000000, -0.0000917800000000 ] - [ -0.0002782800000000, 0.0035438500000000, -0.0048613500000000 ] - [ -0.0005622300000000, -0.0000458600000000, -0.0000917800000000 ] - [ -0.0014279400000000, 0.0000000000000000, -0.0004266800000000 ] - [ -0.0005828200000000, 0.0000000000000000, -0.0000795200000000 ] - [ 0.0033326100000000, 0.0000000000000000, 0.0079479300000000 ] - [ -0.0017894700000000, 0.0000000000000000, 0.0004150000000000 ] - [ 0.0003685600000000, -0.0000011900000000, 0.0005289700000000 ] - [ -0.0017510600000000, 0.0000308900000000, 0.0003845700000000 ] - [ 0.0003685600000000, 0.0000011900000000, 0.0005289700000000 ] - [ -0.0017510600000000, -0.0000308900000000, 0.0003845700000000 ] - [ 0.0005480700000000, -0.0014128000000000, -0.0014493100000000 ] - [ 0.0005452900000000, 0.0002478800000000, -0.0003673300000000 ] - [ 0.0005480700000000, 0.0014128000000000, -0.0014493100000000 ] - [ 0.0005452900000000, -0.0002478800000000, -0.0003673300000000 ] - [ 0.0010850300000000, 0.0000000000000000, -0.0008666300000000 ] - [ 0.0009444600000000, 0.0000000000000000, -0.0006942400000000 ] - [ -0.0019774900000000, 0.0000000000000000, -0.0013615800000000 ] - [ 0.0160629500000000, 0.0000000000000000, -0.0030048600000000 ] - [ -0.0018713700000000, 0.0001249800000000, -0.0014677700000000 ] - [ -0.0008099300000000, -0.0010942400000000, -0.0013081400000000 ] - [ -0.0018713700000000, -0.0001249800000000, -0.0014677700000000 ] - [ -0.0008099300000000, 0.0010942400000000, -0.0013081400000000 ] - [ 0.0017233300000000, 0.0000431600000000, 0.0027783200000000 ] - [ 0.0008163000000000, -0.0001926300000000, 0.0010416400000000 ] - [ 0.0017233300000000, -0.0000431600000000, 0.0027783200000000 ] - [ 0.0008163000000000, 0.0001926300000000, 0.0010416400000000 ] - [ 0.0019319000000000, 0.0000000000000000, 0.0021323400000000 ] - [ 0.0009155000000000, 0.0000000000000000, 0.0011375600000000 ] - [ -0.0035582500000000, 0.0000000000000000, -0.0007556400000000 ] - [ -0.0025516700000000, 0.0000000000000000, -0.0017077000000000 ] - [ -0.0022940000000000, 0.0009178500000000, -0.0016513300000000 ] - [ -0.0024565100000000, -0.0003606600000000, -0.0016226800000000 ] - [ -0.0022940000000000, -0.0009178500000000, -0.0016513300000000 ] - [ -0.0024565100000000, 0.0003606600000000, -0.0016226800000000 ] - [ 0.0018332400000000, -0.0000726000000000, 0.0024754500000000 ] - [ 0.0013551300000000, -0.0000549300000000, 0.0009076300000000 ] - [ 0.0018332400000000, 0.0000726000000000, 0.0024754500000000 ] - [ 0.0013551300000000, 0.0000549300000000, 0.0009076300000000 ] - [ 0.0023214000000000, 0.0000000000000000, 0.0018053100000000 ] - [ 0.0013761200000000, 0.0000000000000000, 0.0009126100000000 ] - [ -0.0008729000000000, 0.0000000000000000, -0.0006489300000000 ] - [ 0.0001536900000000, 0.0000000000000000, -0.0014160300000000 ] - [ -0.0008373900000000, 0.0001091500000000, -0.0005965700000000 ] - [ -0.0001503200000000, -0.0010943700000000, -0.0012905800000000 ] - [ -0.0008373900000000, -0.0001091500000000, -0.0005965700000000 ] - [ -0.0001503200000000, 0.0010943700000000, -0.0012905800000000 ] - [ 0.0030544100000000, 0.0008906400000000, -0.0010434900000000 ] - [ -0.0000800300000000, -0.0000211500000000, 0.0003242500000000 ] - [ 0.0030544100000000, -0.0008906400000000, -0.0010434900000000 ] - [ -0.0000800300000000, 0.0000211500000000, 0.0003242500000000 ] - [ 0.0011626100000000, 0.0000000000000000, 0.0006181000000000 ] - [ -0.0000590900000000, 0.0000000000000000, 0.0003447000000000 ]- atom: 13 displacement: [ -0.0099999949782129, 0.0000000000000000, 0.0000100217621775 ] forces: - [ -0.0077911400000000, 0.0000000000000000, -0.0043204000000000 ] - [ -0.0002950300000000, 0.0000000000000000, 0.0003499800000000 ] - [ 0.0002983400000000, 0.0002749700000000, 0.0001965000000000 ] - [ -0.0002884300000000, -0.0001033400000000, 0.0003547900000000 ] - [ 0.0002983400000000, -0.0002749700000000, 0.0001965000000000 ] - [ -0.0002884300000000, 0.0001033400000000, 0.0003547900000000 ] - [ 0.0002514300000000, -0.0002939600000000, -0.0002435800000000 ] - [ -0.0004128600000000, -0.0000098300000000, -0.0003436900000000 ] - [ 0.0002514300000000, 0.0002939600000000, -0.0002435800000000 ] - [ -0.0004128600000000, 0.0000098300000000, -0.0003436900000000 ] - [ 0.0003102000000000, 0.0000000000000000, -0.0002163500000000 ] - [ -0.0003802400000000, 0.0000000000000000, -0.0003504600000000 ] - [ 0.0417389800000000, 0.0000000000000000, 0.0003270000000000 ] - [ -0.0010322900000000, 0.0000000000000000, -0.0002751400000000 ] - [ 0.0001984100000000, 0.0007844400000000, -0.0002183000000000 ] - [ -0.0010267900000000, -0.0000029200000000, -0.0002848100000000 ] - [ 0.0001984100000000, -0.0007844400000000, -0.0002183000000000 ] - [ -0.0010267900000000, 0.0000029200000000, -0.0002848100000000 ] - [ 0.0006333500000000, -0.0000508300000000, -0.0001749500000000 ] - [ 0.0008811600000000, 0.0000475800000000, 0.0001799900000000 ] - [ 0.0006333500000000, 0.0000508300000000, -0.0001749500000000 ] - [ 0.0008811600000000, -0.0000475800000000, 0.0001799900000000 ] - [ 0.0006875400000000, 0.0000000000000000, 0.0000902500000000 ] - [ 0.0007826100000000, 0.0000000000000000, -0.0004006200000000 ] - [ -0.0017363100000000, 0.0000000000000000, 0.0007221200000000 ] - [ -0.0018220300000000, 0.0000000000000000, 0.0001467600000000 ] - [ -0.0017709500000000, 0.0002735400000000, 0.0006570700000000 ] - [ -0.0019756200000000, -0.0001569800000000, 0.0000737900000000 ] - [ -0.0017709500000000, -0.0002735400000000, 0.0006570700000000 ] - [ -0.0019756200000000, 0.0001569800000000, 0.0000737900000000 ] - [ -0.0001444500000000, -0.0015788500000000, 0.0009197200000000 ] - [ 0.0009653500000000, -0.0000021000000000, -0.0005533600000000 ] - [ -0.0001444500000000, 0.0015788500000000, 0.0009197200000000 ] - [ 0.0009653500000000, 0.0000021000000000, -0.0005533600000000 ] - [ 0.0018372700000000, 0.0000000000000000, -0.0001818400000000 ] - [ 0.0009629000000000, 0.0000000000000000, -0.0005460500000000 ] - [ -0.0003810600000000, 0.0000000000000000, -0.0014027900000000 ] - [ -0.0018412000000000, 0.0000000000000000, -0.0024060200000000 ] - [ -0.0013229300000000, 0.0008293200000000, -0.0011344500000000 ] - [ -0.0018168100000000, 0.0000270000000000, -0.0023491200000000 ] - [ -0.0013229300000000, -0.0008293200000000, -0.0011344500000000 ] - [ -0.0018168100000000, -0.0000270000000000, -0.0023491200000000 ] - [ 0.0013337700000000, -0.0000372700000000, 0.0021541800000000 ] - [ -0.0013729600000000, 0.0046262400000000, -0.0019392700000000 ] - [ 0.0013337700000000, 0.0000372700000000, 0.0021541800000000 ] - [ -0.0013729600000000, -0.0046262400000000, -0.0019392700000000 ] - [ 0.0013672400000000, 0.0000000000000000, 0.0021349800000000 ] - [ 0.0020662500000000, 0.0000000000000000, 0.0024257200000000 ] - [ -0.0018849600000000, 0.0000000000000000, -0.0026438600000000 ] - [ -0.0035602700000000, 0.0000000000000000, -0.0027258100000000 ] - [ -0.0025491700000000, -0.0001506700000000, -0.0019036200000000 ] - [ -0.0035461400000000, 0.0000174500000000, -0.0027050700000000 ] - [ -0.0025491700000000, 0.0001506700000000, -0.0019036200000000 ] - [ -0.0035461400000000, -0.0000174500000000, -0.0027050700000000 ] - [ 0.0026346200000000, -0.0002885500000000, 0.0023900200000000 ] - [ 0.0020272400000000, 0.0010987100000000, 0.0020808900000000 ] - [ 0.0026346200000000, 0.0002885500000000, 0.0023900200000000 ] - [ 0.0020272400000000, -0.0010987100000000, 0.0020808900000000 ] - [ 0.0028305100000000, 0.0000000000000000, 0.0023808300000000 ] - [ 0.0029983600000000, 0.0000000000000000, 0.0024784900000000 ] - [ 0.0000346400000000, 0.0000000000000000, -0.0002442100000000 ] - [ 0.0006298000000000, 0.0000000000000000, 0.0025708700000000 ] - [ 0.0005152000000000, 0.0001535700000000, 0.0000875300000000 ] - [ 0.0009773000000000, -0.0002675200000000, 0.0003720900000000 ] - [ 0.0005152000000000, -0.0001535700000000, 0.0000875300000000 ] - [ 0.0009773000000000, 0.0002675200000000, 0.0003720900000000 ] - [ -0.0015688100000000, 0.0035098400000000, 0.0043430700000000 ] - [ -0.0012694100000000, -0.0000617800000000, -0.0004042700000000 ] - [ -0.0015688100000000, -0.0035098400000000, 0.0043430700000000 ] - [ -0.0012694100000000, 0.0000617800000000, -0.0004042700000000 ] - [ -0.0004110100000000, 0.0000000000000000, -0.0000522300000000 ] - [ -0.0012513500000000, 0.0000000000000000, -0.0003981900000000 ] - [ -0.0055881900000000, 0.0000000000000000, -0.0067371900000000 ] - [ -0.0005541900000000, 0.0000000000000000, 0.0007227500000000 ] - [ -0.0026883900000000, 0.0000193500000000, 0.0006058400000000 ] - [ -0.0005741200000000, -0.0000155900000000, 0.0007519900000000 ] - [ -0.0026883900000000, -0.0000193500000000, 0.0006058400000000 ] - [ -0.0005741200000000, 0.0000155900000000, 0.0007519900000000 ] - [ 0.0017642300000000, 0.0014244900000000, 0.0003073200000000 ] - [ 0.0017741900000000, -0.0002286500000000, -0.0007635400000000 ] - [ 0.0017642300000000, -0.0014244900000000, 0.0003073200000000 ] - [ 0.0017741900000000, 0.0002286500000000, -0.0007635400000000 ] - [ 0.0012541500000000, 0.0000000000000000, -0.0002725400000000 ] - [ 0.0014007000000000, 0.0000000000000000, -0.0004416400000000 ] - [ -0.0007565700000000, 0.0000000000000000, -0.0014197400000000 ] - [ -0.0176873900000000, 0.0000000000000000, -0.0000162200000000 ] - [ -0.0008644700000000, -0.0001096200000000, -0.0013238000000000 ] - [ -0.0019090900000000, 0.0011106800000000, -0.0014756200000000 ] - [ -0.0008644700000000, 0.0001096200000000, -0.0013238000000000 ] - [ -0.0019090900000000, -0.0011106800000000, -0.0014756200000000 ] - [ 0.0010173200000000, -0.0000228500000000, 0.0000220000000000 ] - [ 0.0019151600000000, 0.0002091300000000, 0.0017495700000000 ] - [ 0.0010173200000000, 0.0000228500000000, 0.0000220000000000 ] - [ 0.0019151600000000, -0.0002091300000000, 0.0017495700000000 ] - [ 0.0008018700000000, 0.0000000000000000, 0.0006580200000000 ] - [ 0.0018130900000000, 0.0000000000000000, 0.0016409500000000 ] - [ -0.0001168500000000, 0.0000000000000000, -0.0017772000000000 ] - [ -0.0011210500000000, 0.0000000000000000, -0.0008425400000000 ] - [ -0.0013685000000000, -0.0009118800000000, -0.0009005500000000 ] - [ -0.0012092800000000, 0.0003630200000000, -0.0009354300000000 ] - [ -0.0013685000000000, 0.0009118800000000, -0.0009005500000000 ] - [ -0.0012092800000000, -0.0003630200000000, -0.0009354300000000 ] - [ 0.0018293000000000, 0.0000771900000000, 0.0000724700000000 ] - [ 0.0023053900000000, 0.0000621200000000, 0.0016455500000000 ] - [ 0.0018293000000000, -0.0000771900000000, 0.0000724700000000 ] - [ 0.0023053900000000, -0.0000621200000000, 0.0016455500000000 ] - [ 0.0013443200000000, 0.0000000000000000, 0.0007389800000000 ] - [ 0.0022888200000000, 0.0000000000000000, 0.0016312800000000 ] - [ -0.0001418200000000, 0.0000000000000000, -0.0002682600000000 ] - [ -0.0011584400000000, 0.0000000000000000, 0.0004958300000000 ] - [ -0.0001774500000000, -0.0000891800000000, -0.0003165700000000 ] - [ -0.0008547600000000, 0.0011061600000000, 0.0003741800000000 ] - [ -0.0001774500000000, 0.0000891800000000, -0.0003165700000000 ] - [ -0.0008547600000000, -0.0011061600000000, 0.0003741800000000 ] - [ -0.0019781700000000, -0.0007309600000000, 0.0018221000000000 ] - [ 0.0010903700000000, 0.0000403700000000, 0.0005875600000000 ] - [ -0.0019781700000000, 0.0007309600000000, 0.0018221000000000 ] - [ 0.0010903700000000, -0.0000403700000000, 0.0005875600000000 ] - [ -0.0001505400000000, 0.0000000000000000, 0.0002960800000000 ] - [ 0.0010675200000000, 0.0000000000000000, 0.0005719600000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001221200000000, -0.0013330400000000, 0.0003091300000000 ] - [ 0.0000988600000000, -0.0001637800000000, 0.0003035900000000 ] - [ -0.0002414100000000, 0.0000680500000000, 0.0000646800000000 ] - [ 0.0001764100000000, 0.0000663200000000, 0.0002575400000000 ] - [ 0.0004325900000000, 0.0000938700000000, 0.0005318000000000 ] - [ 0.0000143600000000, 0.0000898400000000, 0.0003428100000000 ] - [ -0.0001088400000000, -0.0006556600000000, -0.0001709800000000 ] - [ -0.0001608700000000, -0.0000366200000000, -0.0003405700000000 ] - [ -0.0000774000000000, -0.0006459900000000, -0.0004210600000000 ] - [ -0.0000301100000000, -0.0000136700000000, -0.0002583400000000 ] - [ -0.0000990700000000, 0.0006208400000000, -0.0003024200000000 ] - [ -0.0000989300000000, 0.0000306100000000, -0.0003027200000000 ] - [ -0.0007070700000000, -0.0744761400000000, -0.0012472700000000 ] - [ -0.0007910700000000, -0.0000225600000000, -0.0001723100000000 ] - [ 0.0000172900000000, 0.0057455100000000, -0.0006014800000000 ] - [ -0.0007810500000000, -0.0000007100000000, -0.0001750800000000 ] - [ -0.0015931100000000, 0.0057146200000000, 0.0002196500000000 ] - [ -0.0008073400000000, 0.0000310700000000, -0.0001944100000000 ] - [ 0.0008302700000000, -0.0000095500000000, 0.0001996600000000 ] - [ 0.0007296800000000, -0.0004047800000000, 0.0000121000000000 ] - [ 0.0007598300000000, 0.0000216700000000, 0.0001730400000000 ] - [ 0.0008580200000000, -0.0003724900000000, 0.0003649700000000 ] - [ 0.0007910400000000, 0.0000332100000000, 0.0001727200000000 ] - [ 0.0007921100000000, 0.0015739900000000, 0.0001764200000000 ] - [ -0.0014984600000000, -0.0004601400000000, 0.0003720000000000 ] - [ -0.0014946900000000, -0.0002261300000000, 0.0003704400000000 ] - [ -0.0017231900000000, 0.0002388600000000, 0.0004882600000000 ] - [ -0.0007961600000000, 0.0002423000000000, 0.0005971300000000 ] - [ -0.0012726500000000, 0.0002771400000000, 0.0002528300000000 ] - [ -0.0021919900000000, 0.0002810000000000, 0.0001407700000000 ] - [ 0.0042283700000000, -0.0000949200000000, -0.0007996300000000 ] - [ 0.0014323500000000, -0.0000840400000000, -0.0003689400000000 ] - [ -0.0012550800000000, -0.0000534400000000, 0.0000612900000000 ] - [ 0.0015598600000000, -0.0000457600000000, -0.0003699500000000 ] - [ 0.0014931400000000, 0.0005523100000000, -0.0003705100000000 ] - [ 0.0014966400000000, 0.0001160600000000, -0.0003714000000000 ] - [ -0.0015711800000000, -0.0032220100000000, -0.0021989900000000 ] - [ -0.0015748100000000, -0.0000305800000000, -0.0022178200000000 ] - [ -0.0009592100000000, 0.0056886200000000, 0.0015530400000000 ] - [ -0.0015978500000000, 0.0000087500000000, -0.0022242300000000 ] - [ -0.0021831800000000, 0.0056931700000000, -0.0059647600000000 ] - [ -0.0015540600000000, 0.0000328800000000, -0.0022036500000000 ] - [ 0.0015882700000000, -0.0000290800000000, 0.0022113700000000 ] - [ -0.0039193300000000, 0.0024459000000000, -0.0013799500000000 ] - [ 0.0015635800000000, -0.0000055300000000, 0.0022173500000000 ] - [ 0.0071074100000000, 0.0024563600000000, 0.0058195500000000 ] - [ 0.0015749200000000, 0.0000424800000000, 0.0022185300000000 ] - [ 0.0015780900000000, 0.0012671100000000, 0.0022184400000000 ] - [ -0.0031327400000000, -0.0002680200000000, -0.0025139300000000 ] - [ -0.0031262300000000, -0.0000732500000000, -0.0025218300000000 ] - [ -0.0033807300000000, 0.0003194300000000, -0.0025656800000000 ] - [ -0.0031145800000000, 0.0000315800000000, -0.0025053400000000 ] - [ -0.0028869500000000, 0.0003453700000000, -0.0024598700000000 ] - [ -0.0031510100000000, 0.0000534100000000, -0.0025250100000000 ] - [ 0.0032294300000000, -0.0001940500000000, 0.0025931800000000 ] - [ 0.0028226300000000, -0.0004241800000000, 0.0026581900000000 ] - [ 0.0030356300000000, -0.0001741200000000, 0.0024347900000000 ] - [ 0.0034396500000000, -0.0004099500000000, 0.0023684700000000 ] - [ 0.0031257200000000, 0.0003124400000000, 0.0025215600000000 ] - [ 0.0031265600000000, 0.0003898600000000, 0.0025219900000000 ] - [ 0.0009257600000000, -0.0000609400000000, 0.0002394300000000 ] - [ 0.0009200000000000, -0.0004312900000000, 0.0002516900000000 ] - [ 0.0009154400000000, 0.0000072400000000, 0.0002218800000000 ] - [ 0.0011822300000000, 0.0004259800000000, 0.0003242000000000 ] - [ 0.0009306500000000, 0.0000249500000000, 0.0002742400000000 ] - [ 0.0006575300000000, 0.0004475500000000, 0.0001750900000000 ] - [ -0.0042514700000000, 0.0016804000000000, 0.0044813100000000 ] - [ -0.0009190400000000, -0.0000200000000000, -0.0002499300000000 ] - [ 0.0024123900000000, 0.0016680900000000, -0.0049777400000000 ] - [ -0.0009258000000000, -0.0000041400000000, -0.0002464200000000 ] - [ -0.0009228300000000, 0.0008691900000000, -0.0002389700000000 ] - [ -0.0009235300000000, 0.0000237800000000, -0.0002385100000000 ] - [ -0.0011697300000000, 0.0019278000000000, 0.0006192700000000 ] - [ -0.0011752000000000, 0.0000715400000000, 0.0005672300000000 ] - [ -0.0005541500000000, -0.0011465500000000, 0.0021929100000000 ] - [ -0.0012013800000000, -0.0000317200000000, 0.0005690300000000 ] - [ -0.0017865700000000, -0.0011766800000000, -0.0010456300000000 ] - [ -0.0011298800000000, -0.0000471500000000, 0.0005647400000000 ] - [ 0.0009301000000000, 0.0001159700000000, -0.0006922200000000 ] - [ 0.0013408200000000, 0.0001764400000000, -0.0005271400000000 ] - [ 0.0013940500000000, 0.0001106800000000, -0.0004441200000000 ] - [ 0.0009940300000000, 0.0001633200000000, -0.0006112800000000 ] - [ 0.0011753200000000, -0.0003732900000000, -0.0005672300000000 ] - [ 0.0011762400000000, -0.0002556900000000, -0.0005691400000000 ] - [ -0.0013674200000000, 0.0001133700000000, -0.0013958400000000 ] - [ -0.0013625300000000, 0.0066867900000000, -0.0013968400000000 ] - [ -0.0013495600000000, -0.0000479500000000, -0.0013998900000000 ] - [ -0.0026122200000000, -0.0012172200000000, -0.0008872700000000 ] - [ -0.0013864900000000, -0.0000638000000000, -0.0014034200000000 ] - [ -0.0001261600000000, -0.0012556000000000, -0.0019024500000000 ] - [ 0.0018305400000000, 0.0011010000000000, 0.0011255300000000 ] - [ 0.0013612600000000, 0.0000391200000000, 0.0014032400000000 ] - [ 0.0009186300000000, 0.0010837700000000, 0.0016420200000000 ] - [ 0.0013733200000000, 0.0000247700000000, 0.0014000700000000 ] - [ 0.0013691300000000, -0.0018506500000000, 0.0013892000000000 ] - [ 0.0013668000000000, -0.0000616000000000, 0.0013961700000000 ] - [ -0.0018314100000000, 0.0015988300000000, -0.0012681200000000 ] - [ -0.0018344100000000, 0.0004699400000000, -0.0012762900000000 ] - [ -0.0011776000000000, -0.0008770900000000, -0.0009652600000000 ] - [ -0.0021086100000000, -0.0002288800000000, -0.0011671800000000 ] - [ -0.0024807600000000, -0.0008804000000000, -0.0015928900000000 ] - [ -0.0015562800000000, -0.0002384200000000, -0.0013947100000000 ] - [ 0.0013191000000000, 0.0003674900000000, 0.0019089900000000 ] - [ 0.0019693500000000, 0.0002330100000000, 0.0013823600000000 ] - [ 0.0023538100000000, 0.0003623400000000, 0.0006402700000000 ] - [ 0.0016954000000000, 0.0002259100000000, 0.0011824000000000 ] - [ 0.0018366500000000, -0.0006840400000000, 0.0012751000000000 ] - [ 0.0018350200000000, -0.0004310200000000, 0.0012781500000000 ] - [ -0.0005053200000000, 0.0000517300000000, -0.0004622800000000 ] - [ -0.0005127800000000, 0.0028670600000000, -0.0004612400000000 ] - [ -0.0003726900000000, -0.0000153800000000, -0.0004635300000000 ] - [ -0.0016835200000000, -0.0017205300000000, -0.0018138600000000 ] - [ -0.0006397500000000, -0.0000362200000000, -0.0004560300000000 ] - [ 0.0006547400000000, -0.0017399000000000, 0.0008955900000000 ] - [ 0.0037127600000000, 0.0231075000000000, -0.0193899200000000 ] - [ 0.0005328100000000, 0.0000287800000000, 0.0004548300000000 ] - [ -0.0028584400000000, 0.0237466100000000, 0.0212678500000000 ] - [ 0.0004820200000000, 0.0000096700000000, 0.0004628900000000 ] - [ 0.0005087000000000, -0.0058433500000000, 0.0004591200000000 ] - [ 0.0005064100000000, -0.0000455700000000, 0.0004614000000000 ]- atom: 13 displacement: [ -0.0032316847127924, 0.0000000000000000, 0.0094634144956831 ] forces: - [ 0.0026008400000000, 0.0000000000000000, -0.0010815300000000 ] - [ 0.0000608400000000, 0.0000000000000000, 0.0003241800000000 ] - [ 0.0002440300000000, -0.0001981400000000, -0.0002816800000000 ] - [ 0.0000213900000000, -0.0000340900000000, 0.0003229200000000 ] - [ 0.0002440300000000, 0.0001981400000000, -0.0002816800000000 ] - [ 0.0000213900000000, 0.0000340900000000, 0.0003229200000000 ] - [ 0.0012583500000000, 0.0028137200000000, 0.0013387500000000 ] - [ -0.0000289800000000, -0.0000013400000000, -0.0002033200000000 ] - [ 0.0012583500000000, -0.0028137200000000, 0.0013387500000000 ] - [ -0.0000289800000000, 0.0000013400000000, -0.0002033200000000 ] - [ -0.0000346000000000, 0.0000000000000000, -0.0000735800000000 ] - [ 0.0000087800000000, 0.0000000000000000, -0.0001752000000000 ] - [ 0.0128173700000000, 0.0000000000000000, -0.1148822800000000 ] - [ -0.0007810600000000, 0.0000000000000000, -0.0001222200000000 ] - [ -0.0004497200000000, 0.0006296400000000, -0.0027419500000000 ] - [ -0.0007836900000000, -0.0000206600000000, -0.0001394900000000 ] - [ -0.0004497200000000, -0.0006296400000000, -0.0027419500000000 ] - [ -0.0007836900000000, 0.0000206600000000, -0.0001394900000000 ] - [ 0.0010905200000000, -0.0000146000000000, 0.0004854000000000 ] - [ 0.0008365700000000, -0.0001620800000000, 0.0007611200000000 ] - [ 0.0010905200000000, 0.0000146000000000, 0.0004854000000000 ] - [ 0.0008365700000000, 0.0001620800000000, 0.0007611200000000 ] - [ 0.0008435200000000, 0.0000000000000000, 0.0002669500000000 ] - [ 0.0013425100000000, 0.0000000000000000, 0.0009403100000000 ] - [ -0.0018048100000000, 0.0000000000000000, 0.0007875800000000 ] - [ -0.0009365000000000, 0.0000000000000000, 0.0003461600000000 ] - [ -0.0018817300000000, 0.0000952300000000, 0.0008356100000000 ] - [ -0.0009024200000000, 0.0000409500000000, 0.0004068600000000 ] - [ -0.0018817300000000, -0.0000952300000000, 0.0008356100000000 ] - [ -0.0009024200000000, -0.0000409500000000, 0.0004068600000000 ] - [ -0.0021307900000000, -0.0011872600000000, 0.0005180600000000 ] - [ 0.0015205500000000, -0.0000051800000000, -0.0004967300000000 ] - [ -0.0021307900000000, 0.0011872600000000, 0.0005180600000000 ] - [ 0.0015205500000000, 0.0000051800000000, -0.0004967300000000 ] - [ 0.0010692200000000, 0.0000000000000000, -0.0003608400000000 ] - [ 0.0014988900000000, 0.0000000000000000, -0.0005114400000000 ] - [ -0.0008897700000000, 0.0000000000000000, 0.0078697100000000 ] - [ -0.0014949200000000, 0.0000000000000000, -0.0021489500000000 ] - [ -0.0009039500000000, 0.0036626300000000, 0.0019388600000000 ] - [ -0.0015505500000000, -0.0000485900000000, -0.0021819300000000 ] - [ -0.0009039500000000, -0.0036626300000000, 0.0019388600000000 ] - [ -0.0015505500000000, 0.0000485900000000, -0.0021819300000000 ] - [ 0.0016077900000000, 0.0000050800000000, 0.0022839500000000 ] - [ 0.0047066900000000, -0.0017448700000000, 0.0012686400000000 ] - [ 0.0016077900000000, -0.0000050800000000, 0.0022839500000000 ] - [ 0.0047066900000000, 0.0017448700000000, 0.0012686400000000 ] - [ 0.0015817100000000, 0.0000000000000000, 0.0022828600000000 ] - [ 0.0016580800000000, 0.0000000000000000, 0.0016216100000000 ] - [ -0.0055040000000000, 0.0000000000000000, -0.0001271900000000 ] - [ -0.0029649200000000, 0.0000000000000000, -0.0024598700000000 ] - [ -0.0035502100000000, -0.0004853700000000, -0.0019130000000000 ] - [ -0.0029717800000000, -0.0000308700000000, -0.0024469100000000 ] - [ -0.0035502100000000, 0.0004853700000000, -0.0019130000000000 ] - [ -0.0029717800000000, 0.0000308700000000, -0.0024469100000000 ] - [ 0.0029650100000000, 0.0001415700000000, 0.0021672300000000 ] - [ 0.0023928000000000, 0.0008940400000000, 0.0019718600000000 ] - [ 0.0029650100000000, -0.0001415700000000, 0.0021672300000000 ] - [ 0.0023928000000000, -0.0008940400000000, 0.0019718600000000 ] - [ 0.0029009700000000, 0.0000000000000000, 0.0023458500000000 ] - [ 0.0030002700000000, 0.0000000000000000, 0.0024706900000000 ] - [ 0.0011343500000000, 0.0000000000000000, 0.0003091900000000 ] - [ 0.0004716900000000, 0.0000000000000000, 0.0019543800000000 ] - [ 0.0010430500000000, -0.0000848100000000, 0.0002325300000000 ] - [ 0.0004725200000000, -0.0005434300000000, 0.0006528900000000 ] - [ 0.0010430500000000, 0.0000848100000000, 0.0002325300000000 ] - [ 0.0004725200000000, 0.0005434300000000, 0.0006528900000000 ] - [ -0.0063246300000000, 0.0068106100000000, 0.0059850500000000 ] - [ -0.0008610200000000, 0.0000068300000000, -0.0002494000000000 ] - [ -0.0063246300000000, -0.0068106100000000, 0.0059850500000000 ] - [ -0.0008610200000000, -0.0000068300000000, -0.0002494000000000 ] - [ -0.0010587500000000, 0.0000000000000000, -0.0004412700000000 ] - [ -0.0008571200000000, 0.0000000000000000, -0.0002185000000000 ] - [ 0.0019988400000000, 0.0000000000000000, 0.0349567800000000 ] - [ -0.0012412300000000, 0.0000000000000000, 0.0004631200000000 ] - [ -0.0013535000000000, 0.0023185900000000, 0.0014172700000000 ] - [ -0.0012315900000000, 0.0000200900000000, 0.0004451500000000 ] - [ -0.0013535000000000, -0.0023185900000000, 0.0014172700000000 ] - [ -0.0012315900000000, -0.0000200900000000, 0.0004451500000000 ] - [ 0.0001199300000000, -0.0004572100000000, -0.0004818600000000 ] - [ 0.0013561100000000, -0.0000553300000000, -0.0010516300000000 ] - [ 0.0001199300000000, 0.0004572100000000, -0.0004818600000000 ] - [ 0.0013561100000000, 0.0000553300000000, -0.0010516300000000 ] - [ 0.0009044100000000, 0.0000000000000000, -0.0005354200000000 ] - [ 0.0011986700000000, 0.0000000000000000, -0.0009923200000000 ] - [ -0.0013483600000000, 0.0000000000000000, -0.0013929400000000 ] - [ -0.0052334200000000, 0.0000000000000000, 0.0055180500000000 ] - [ -0.0013255100000000, 0.0000311600000000, -0.0014316700000000 ] - [ -0.0010793200000000, 0.0013391300000000, 0.0009917500000000 ] - [ -0.0013255100000000, -0.0000311600000000, -0.0014316700000000 ] - [ -0.0010793200000000, -0.0013391300000000, 0.0009917500000000 ] - [ 0.0030316700000000, 0.0011507300000000, -0.0025213100000000 ] - [ 0.0011118000000000, -0.0000586400000000, 0.0014241600000000 ] - [ 0.0030316700000000, -0.0011507300000000, -0.0025213100000000 ] - [ 0.0011118000000000, 0.0000586400000000, 0.0014241600000000 ] - [ 0.0020362200000000, 0.0000000000000000, -0.0006845900000000 ] - [ 0.0012055000000000, 0.0000000000000000, 0.0013795200000000 ] - [ -0.0005049600000000, 0.0000000000000000, 0.0007142800000000 ] - [ -0.0017517700000000, 0.0000000000000000, -0.0009107600000000 ] - [ -0.0010344600000000, -0.0007772800000000, -0.0002818600000000 ] - [ -0.0017779400000000, 0.0001775500000000, -0.0008890100000000 ] - [ -0.0010344600000000, 0.0007772800000000, -0.0002818600000000 ] - [ -0.0017779400000000, -0.0001775500000000, -0.0008890100000000 ] - [ 0.0028563000000000, -0.0003845900000000, -0.0013194800000000 ] - [ 0.0015628800000000, -0.0000307100000000, 0.0011743900000000 ] - [ 0.0028563000000000, 0.0003845900000000, -0.0013194800000000 ] - [ 0.0015628800000000, 0.0000307100000000, 0.0011743900000000 ] - [ 0.0020048500000000, 0.0000000000000000, 0.0005963300000000 ] - [ 0.0015506000000000, 0.0000000000000000, 0.0011991900000000 ] - [ -0.0004186800000000, 0.0000000000000000, -0.0007559900000000 ] - [ -0.0025360900000000, 0.0000000000000000, -0.0007701200000000 ] - [ -0.0003866700000000, 0.0001572700000000, -0.0006738500000000 ] - [ -0.0017857700000000, -0.0004459000000000, -0.0007277800000000 ] - [ -0.0003866700000000, -0.0001572700000000, -0.0006738500000000 ] - [ -0.0017857700000000, 0.0004459000000000, -0.0007277800000000 ] - [ -0.0031637200000000, -0.0180387700000000, 0.0230500500000000 ] - [ 0.0004506500000000, -0.0000142900000000, 0.0003834700000000 ] - [ -0.0031637200000000, 0.0180387700000000, 0.0230500500000000 ] - [ 0.0004506500000000, 0.0000142900000000, 0.0003834700000000 ] - [ 0.0006594800000000, 0.0000000000000000, 0.0018421000000000 ] - [ 0.0004720500000000, 0.0000000000000000, 0.0004099900000000 ]- atom: 13 displacement: [ 0.0032316847127924, 0.0000000000000000, -0.0094634144956831 ] forces: - [ -0.0023583300000000, 0.0000000000000000, 0.0017102600000000 ] - [ 0.0001270300000000, 0.0000000000000000, 0.0002748100000000 ] - [ -0.0000651400000000, 0.0001743100000000, 0.0008742200000000 ] - [ 0.0001595100000000, 0.0000105900000000, 0.0002697000000000 ] - [ -0.0000651400000000, -0.0001743100000000, 0.0008742200000000 ] - [ 0.0001595100000000, -0.0000105900000000, 0.0002697000000000 ] - [ -0.0014542200000000, -0.0028632500000000, -0.0019314500000000 ] - [ -0.0001521100000000, -0.0000214700000000, -0.0003883600000000 ] - [ -0.0014542200000000, 0.0028632500000000, -0.0019314500000000 ] - [ -0.0001521100000000, 0.0000214700000000, -0.0003883600000000 ] - [ -0.0001535200000000, 0.0000000000000000, -0.0005222500000000 ] - [ -0.0001971800000000, 0.0000000000000000, -0.0004235300000000 ] - [ -0.0143438300000000, 0.0000000000000000, 0.1152742000000000 ] - [ -0.0007993500000000, 0.0000000000000000, -0.0002221000000000 ] - [ -0.0011330000000000, -0.0006682100000000, 0.0023682700000000 ] - [ -0.0008030000000000, -0.0000110300000000, -0.0002297300000000 ] - [ -0.0011330000000000, 0.0006682100000000, 0.0023682700000000 ] - [ -0.0008030000000000, 0.0000110300000000, -0.0002297300000000 ] - [ 0.0004928700000000, -0.0000166700000000, -0.0001153500000000 ] - [ 0.0007513200000000, 0.0001302400000000, -0.0003950000000000 ] - [ 0.0004928700000000, 0.0000166700000000, -0.0001153500000000 ] - [ 0.0007513200000000, -0.0001302400000000, -0.0003950000000000 ] - [ 0.0007346200000000, 0.0000000000000000, 0.0000775400000000 ] - [ 0.0002365400000000, 0.0000000000000000, -0.0006044600000000 ] - [ -0.0011892700000000, 0.0000000000000000, -0.0000510200000000 ] - [ -0.0020566500000000, 0.0000000000000000, 0.0003923600000000 ] - [ -0.0011110400000000, -0.0001320600000000, -0.0001008300000000 ] - [ -0.0020918000000000, -0.0000812700000000, 0.0003272800000000 ] - [ -0.0011110400000000, 0.0001320600000000, -0.0001008300000000 ] - [ -0.0020918000000000, 0.0000812700000000, 0.0003272800000000 ] - [ 0.0051108900000000, 0.0011399000000000, -0.0012528400000000 ] - [ 0.0014671900000000, -0.0000331700000000, -0.0002390000000000 ] - [ 0.0051108900000000, -0.0011399000000000, -0.0012528400000000 ] - [ 0.0014671900000000, 0.0000331700000000, -0.0002390000000000 ] - [ 0.0019237500000000, 0.0000000000000000, -0.0003796700000000 ] - [ 0.0014898800000000, 0.0000000000000000, -0.0002275100000000 ] - [ -0.0022517000000000, 0.0000000000000000, -0.0122009200000000 ] - [ -0.0016561200000000, 0.0000000000000000, -0.0022915100000000 ] - [ -0.0022439100000000, -0.0036867000000000, -0.0063643700000000 ] - [ -0.0016021600000000, 0.0000247600000000, -0.0022506400000000 ] - [ -0.0022439100000000, 0.0036867000000000, -0.0063643700000000 ] - [ -0.0016021600000000, -0.0000247600000000, -0.0022506400000000 ] - [ 0.0015421300000000, -0.0000287000000000, 0.0021480700000000 ] - [ -0.0015857500000000, 0.0017560900000000, 0.0031199700000000 ] - [ 0.0015421300000000, 0.0000287000000000, 0.0021480700000000 ] - [ -0.0015857500000000, -0.0017560900000000, 0.0031199700000000 ] - [ 0.0015665200000000, 0.0000000000000000, 0.0021576900000000 ] - [ 0.0014938300000000, 0.0000000000000000, 0.0028210200000000 ] - [ -0.0007425100000000, 0.0000000000000000, -0.0049238400000000 ] - [ -0.0032894700000000, 0.0000000000000000, -0.0025851700000000 ] - [ -0.0027136100000000, 0.0004649500000000, -0.0031161500000000 ] - [ -0.0032961600000000, 0.0000094400000000, -0.0025848300000000 ] - [ -0.0027136100000000, -0.0004649500000000, -0.0031161500000000 ] - [ -0.0032961600000000, -0.0000094400000000, -0.0025848300000000 ] - [ 0.0032990800000000, -0.0001622100000000, 0.0028626500000000 ] - [ 0.0038721800000000, -0.0009171300000000, 0.0030603800000000 ] - [ 0.0032990800000000, 0.0001622100000000, 0.0028626500000000 ] - [ 0.0038721800000000, 0.0009171300000000, 0.0030603800000000 ] - [ 0.0033504400000000, 0.0000000000000000, 0.0026977800000000 ] - [ 0.0032529400000000, 0.0000000000000000, 0.0025753900000000 ] - [ 0.0007113800000000, 0.0000000000000000, 0.0001669000000000 ] - [ 0.0013711000000000, 0.0000000000000000, -0.0014520400000000 ] - [ 0.0007961500000000, 0.0000676000000000, 0.0002598400000000 ] - [ 0.0013711300000000, 0.0005277200000000, -0.0001573000000000 ] - [ 0.0007961500000000, -0.0000676000000000, 0.0002598400000000 ] - [ 0.0013711300000000, -0.0005277200000000, -0.0001573000000000 ] - [ 0.0045429300000000, -0.0068995100000000, -0.0065241200000000 ] - [ -0.0009794700000000, -0.0000226000000000, -0.0002435900000000 ] - [ 0.0045429300000000, 0.0068995100000000, -0.0065241200000000 ] - [ -0.0009794700000000, 0.0000226000000000, -0.0002435900000000 ] - [ -0.0007795600000000, 0.0000000000000000, -0.0000281400000000 ] - [ -0.0009856900000000, 0.0000000000000000, -0.0002553400000000 ] - [ -0.0047314400000000, 0.0000000000000000, -0.0355335000000000 ] - [ -0.0011075900000000, 0.0000000000000000, 0.0006751300000000 ] - [ -0.0009850900000000, -0.0023133900000000, -0.0002911900000000 ] - [ -0.0010986200000000, -0.0000049000000000, 0.0006932200000000 ] - [ -0.0009850900000000, 0.0023133900000000, -0.0002911900000000 ] - [ -0.0010986200000000, 0.0000049000000000, 0.0006932200000000 ] - [ 0.0022166300000000, 0.0004594300000000, -0.0006632300000000 ] - [ 0.0009745700000000, 0.0000692400000000, -0.0000861000000000 ] - [ 0.0022166300000000, -0.0004594300000000, -0.0006632300000000 ] - [ 0.0009745700000000, -0.0000692400000000, -0.0000861000000000 ] - [ 0.0014489500000000, 0.0000000000000000, -0.0006022300000000 ] - [ 0.0011499200000000, 0.0000000000000000, -0.0001442600000000 ] - [ -0.0013861100000000, 0.0000000000000000, -0.0013926300000000 ] - [ 0.0028492900000000, 0.0000000000000000, -0.0084379400000000 ] - [ -0.0014098000000000, -0.0000154300000000, -0.0013655800000000 ] - [ -0.0016581400000000, -0.0013181400000000, -0.0038058300000000 ] - [ -0.0014098000000000, 0.0000154300000000, -0.0013655800000000 ] - [ -0.0016581400000000, 0.0013181400000000, -0.0038058300000000 ] - [ -0.0002990800000000, -0.0011256600000000, 0.0053037700000000 ] - [ 0.0016267000000000, 0.0000727100000000, 0.0013729700000000 ] - [ -0.0002990800000000, 0.0011256600000000, 0.0053037700000000 ] - [ 0.0016267000000000, -0.0000727100000000, 0.0013729700000000 ] - [ 0.0006935100000000, 0.0000000000000000, 0.0034745300000000 ] - [ 0.0015316500000000, 0.0000000000000000, 0.0014076400000000 ] - [ -0.0031620800000000, 0.0000000000000000, -0.0032514600000000 ] - [ -0.0019161900000000, 0.0000000000000000, -0.0016425000000000 ] - [ -0.0026284300000000, 0.0007830600000000, -0.0022748100000000 ] - [ -0.0018852900000000, -0.0001681000000000, -0.0016744100000000 ] - [ -0.0026284300000000, -0.0007830600000000, -0.0022748100000000 ] - [ -0.0018852900000000, 0.0001681000000000, -0.0016744100000000 ] - [ 0.0008094100000000, 0.0003948600000000, 0.0038881000000000 ] - [ 0.0021050800000000, 0.0000386200000000, 0.0013897300000000 ] - [ 0.0008094100000000, -0.0003948600000000, 0.0038881000000000 ] - [ 0.0021050800000000, -0.0000386200000000, 0.0013897300000000 ] - [ 0.0016655900000000, 0.0000000000000000, 0.0019572100000000 ] - [ 0.0021229800000000, 0.0000000000000000, 0.0013557100000000 ] - [ -0.0005883500000000, 0.0000000000000000, -0.0001592900000000 ] - [ 0.0015086500000000, 0.0000000000000000, -0.0001301200000000 ] - [ -0.0006229600000000, -0.0001374900000000, -0.0002371200000000 ] - [ 0.0007669200000000, 0.0004763400000000, -0.0001718500000000 ] - [ -0.0006229600000000, 0.0001374900000000, -0.0002371200000000 ] - [ 0.0007669200000000, -0.0004763400000000, -0.0001718500000000 ] - [ 0.0041373800000000, 0.0172207300000000, -0.0215737000000000 ] - [ 0.0005657800000000, 0.0000335400000000, 0.0005286700000000 ] - [ 0.0041373800000000, -0.0172207300000000, -0.0215737000000000 ] - [ 0.0005657800000000, -0.0000335400000000, 0.0005286700000000 ] - [ 0.0003462400000000, 0.0000000000000000, -0.0009224100000000 ] - [ 0.0005420200000000, 0.0000000000000000, 0.0005067300000000 ]- atom: 25 displacement: [ 0.0099999949782129, 0.0000000000000000, -0.0000100217621775 ] forces: - [ 0.0008615300000000, 0.0000000000000000, -0.0023712500000000 ] - [ 0.0008370900000000, 0.0000000000000000, 0.0005111700000000 ] - [ -0.0008683700000000, 0.0000493800000000, -0.0001223800000000 ] - [ 0.0007747800000000, -0.0000070700000000, 0.0004900200000000 ] - [ -0.0008683700000000, -0.0000493800000000, -0.0001223800000000 ] - [ 0.0007747800000000, 0.0000070700000000, 0.0004900200000000 ] - [ -0.0017430100000000, -0.0001425600000000, 0.0006345600000000 ] - [ 0.0005762000000000, 0.0000547100000000, -0.0002668400000000 ] - [ -0.0017430100000000, 0.0001425600000000, 0.0006345600000000 ] - [ 0.0005762000000000, -0.0000547100000000, -0.0002668400000000 ] - [ -0.0008495400000000, 0.0000000000000000, -0.0002073900000000 ] - [ 0.0004740000000000, 0.0000000000000000, -0.0001982900000000 ] - [ -0.0005489000000000, 0.0000000000000000, -0.0004183100000000 ] - [ -0.0004630900000000, 0.0000000000000000, 0.0005259200000000 ] - [ -0.0005172300000000, 0.0002091900000000, -0.0005017000000000 ] - [ -0.0003123200000000, -0.0007106600000000, 0.0006026000000000 ] - [ -0.0005172300000000, -0.0002091900000000, -0.0005017000000000 ] - [ -0.0003123200000000, 0.0007106600000000, 0.0006026000000000 ] - [ 0.0024173200000000, 0.0027140700000000, -0.0030671700000000 ] - [ 0.0013230000000000, -0.0000797900000000, 0.0003966300000000 ] - [ 0.0024173200000000, -0.0027140700000000, -0.0030671700000000 ] - [ 0.0013230000000000, 0.0000797900000000, 0.0003966300000000 ] - [ 0.0004505100000000, 0.0000000000000000, -0.0003908900000000 ] - [ 0.0013226700000000, 0.0000000000000000, 0.0003617700000000 ] - [ -0.1087350200000000, 0.0000000000000000, 0.0006565800000000 ] - [ -0.0005159700000000, 0.0000000000000000, 0.0005494300000000 ] - [ -0.0041613700000000, 0.0001494400000000, -0.0002713800000000 ] - [ -0.0006309400000000, -0.0000789800000000, 0.0005521700000000 ] - [ -0.0041613700000000, -0.0001494400000000, -0.0002713800000000 ] - [ -0.0006309400000000, 0.0000789800000000, 0.0005521700000000 ] - [ 0.0062200600000000, -0.0051186500000000, -0.0042552400000000 ] - [ 0.0029071500000000, 0.0001542700000000, -0.0000110600000000 ] - [ 0.0062200600000000, 0.0051186500000000, -0.0042552400000000 ] - [ 0.0029071500000000, -0.0001542700000000, -0.0000110600000000 ] - [ 0.0007851500000000, 0.0000000000000000, -0.0005342100000000 ] - [ 0.0022290900000000, 0.0000000000000000, -0.0001713100000000 ] - [ -0.0007903800000000, 0.0000000000000000, -0.0022208200000000 ] - [ 0.0062295500000000, 0.0000000000000000, -0.0020543700000000 ] - [ -0.0011746000000000, 0.0001781000000000, -0.0021933600000000 ] - [ -0.0015024200000000, -0.0005847800000000, -0.0023739800000000 ] - [ -0.0011746000000000, -0.0001781000000000, -0.0021933600000000 ] - [ -0.0015024200000000, 0.0005847800000000, -0.0023739800000000 ] - [ 0.0042217100000000, 0.0033874700000000, 0.0047846200000000 ] - [ 0.0021833000000000, -0.0000996700000000, 0.0022849500000000 ] - [ 0.0042217100000000, -0.0033874700000000, 0.0047846200000000 ] - [ 0.0021833000000000, 0.0000996700000000, 0.0022849500000000 ] - [ 0.0013249700000000, 0.0000000000000000, 0.0024384700000000 ] - [ 0.0018604900000000, 0.0000000000000000, 0.0023153300000000 ] - [ 0.0016173200000000, 0.0000000000000000, 0.0010421500000000 ] - [ -0.0020193700000000, 0.0000000000000000, -0.0027096000000000 ] - [ -0.0009235500000000, 0.0028193800000000, -0.0011730400000000 ] - [ -0.0026139100000000, -0.0001552200000000, -0.0023436500000000 ] - [ -0.0009235500000000, -0.0028193800000000, -0.0011730400000000 ] - [ -0.0026139100000000, 0.0001552200000000, -0.0023436500000000 ] - [ 0.0012363800000000, -0.0001768600000000, 0.0019973500000000 ] - [ 0.0039151800000000, 0.0000044200000000, 0.0028747700000000 ] - [ 0.0012363800000000, 0.0001768600000000, 0.0019973500000000 ] - [ 0.0039151800000000, -0.0000044200000000, 0.0028747700000000 ] - [ 0.0019854100000000, 0.0000000000000000, 0.0019085800000000 ] - [ 0.0038596700000000, 0.0000000000000000, 0.0028860400000000 ] - [ 0.0005209900000000, 0.0000000000000000, -0.0005367900000000 ] - [ 0.0018619400000000, 0.0000000000000000, 0.0008144200000000 ] - [ 0.0005966300000000, -0.0004500400000000, -0.0003983100000000 ] - [ 0.0016334300000000, 0.0000412600000000, 0.0007477000000000 ] - [ 0.0005966300000000, 0.0004500400000000, -0.0003983100000000 ] - [ 0.0016334300000000, -0.0000412600000000, 0.0007477000000000 ] - [ -0.0007077100000000, -0.0002503400000000, 0.0001043900000000 ] - [ -0.0007548100000000, 0.0001015000000000, -0.0001154900000000 ] - [ -0.0007077100000000, 0.0002503400000000, 0.0001043900000000 ] - [ -0.0007548100000000, -0.0001015000000000, -0.0001154900000000 ] - [ -0.0007154000000000, 0.0000000000000000, 0.0001416600000000 ] - [ -0.0007500100000000, 0.0000000000000000, -0.0000826200000000 ] - [ -0.0005525700000000, 0.0000000000000000, 0.0000925300000000 ] - [ -0.0021160900000000, 0.0000000000000000, 0.0002235900000000 ] - [ -0.0003154800000000, -0.0001034400000000, 0.0002984500000000 ] - [ -0.0019731200000000, 0.0000572800000000, -0.0000003500000000 ] - [ -0.0003154800000000, 0.0001034400000000, 0.0002984500000000 ] - [ -0.0019731200000000, -0.0000572800000000, -0.0000003500000000 ] - [ 0.0035941500000000, 0.0002208300000000, 0.0016411700000000 ] - [ -0.0000305300000000, 0.0000587500000000, -0.0010188200000000 ] - [ 0.0035941500000000, -0.0002208300000000, 0.0016411700000000 ] - [ -0.0000305300000000, -0.0000587500000000, -0.0010188200000000 ] - [ 0.0027143800000000, 0.0000000000000000, 0.0003431800000000 ] - [ 0.0000655600000000, 0.0000000000000000, -0.0010281500000000 ] - [ -0.0007574200000000, 0.0000000000000000, -0.0030373000000000 ] - [ -0.0021275000000000, 0.0000000000000000, -0.0016849400000000 ] - [ -0.0004004300000000, 0.0007222400000000, -0.0022287300000000 ] - [ -0.0021453300000000, -0.0000126000000000, -0.0016947200000000 ] - [ -0.0004004300000000, -0.0007222400000000, -0.0022287300000000 ] - [ -0.0021453300000000, 0.0000126000000000, -0.0016947200000000 ] - [ -0.0005064500000000, 0.0008779000000000, 0.0008820400000000 ] - [ 0.0001939600000000, -0.0005838600000000, 0.0025202200000000 ] - [ -0.0005064500000000, -0.0008779000000000, 0.0008820400000000 ] - [ 0.0001939600000000, 0.0005838600000000, 0.0025202200000000 ] - [ 0.0000122000000000, 0.0000000000000000, 0.0010666800000000 ] - [ 0.0011558100000000, 0.0000000000000000, 0.0016189700000000 ] - [ 0.0087139100000000, 0.0000000000000000, -0.0099985300000000 ] - [ -0.0028634200000000, 0.0000000000000000, -0.0019792700000000 ] - [ 0.0006499000000000, -0.0010692600000000, 0.0000827000000000 ] - [ -0.0027267700000000, 0.0001761000000000, -0.0018533000000000 ] - [ 0.0006499000000000, 0.0010692600000000, 0.0000827000000000 ] - [ -0.0027267700000000, -0.0001761000000000, -0.0018533000000000 ] - [ 0.0173435800000000, -0.0116254300000000, 0.0083426300000000 ] - [ 0.0008808300000000, -0.0002405700000000, 0.0009505100000000 ] - [ 0.0173435800000000, 0.0116254300000000, 0.0083426300000000 ] - [ 0.0008808300000000, 0.0002405700000000, 0.0009505100000000 ] - [ 0.0034636900000000, 0.0000000000000000, 0.0022244400000000 ] - [ 0.0011236600000000, 0.0000000000000000, 0.0008904700000000 ] - [ 0.0362208800000000, 0.0000000000000000, -0.0021406300000000 ] - [ -0.0017543900000000, 0.0000000000000000, -0.0005548200000000 ] - [ 0.0009800900000000, 0.0022356500000000, -0.0003561700000000 ] - [ -0.0015364000000000, -0.0000637600000000, -0.0005520100000000 ] - [ 0.0009800900000000, -0.0022356500000000, -0.0003561700000000 ] - [ -0.0015364000000000, 0.0000637600000000, -0.0005520100000000 ] - [ -0.0016795500000000, 0.0000829800000000, 0.0006442300000000 ] - [ -0.0016683700000000, -0.0014141000000000, -0.0006911500000000 ] - [ -0.0016795500000000, -0.0000829800000000, 0.0006442300000000 ] - [ -0.0016683700000000, 0.0014141000000000, -0.0006911500000000 ] - [ 0.0003600900000000, 0.0000000000000000, 0.0005117400000000 ] - [ -0.0000014500000000, 0.0000000000000000, 0.0005106800000000 ]- atom: 25 displacement: [ -0.0099999949782129, 0.0000000000000000, 0.0000100217621775 ] forces: - [ -0.0006740000000000, 0.0000000000000000, 0.0030155500000000 ] - [ -0.0006535100000000, 0.0000000000000000, 0.0000845500000000 ] - [ 0.0010544200000000, -0.0000751500000000, 0.0007137800000000 ] - [ -0.0005978200000000, -0.0000157400000000, 0.0000991600000000 ] - [ 0.0010544200000000, 0.0000751500000000, 0.0007137800000000 ] - [ -0.0005978200000000, 0.0000157400000000, 0.0000991600000000 ] - [ 0.0015600300000000, 0.0001331300000000, -0.0012448200000000 ] - [ -0.0007605100000000, -0.0000782500000000, -0.0003231700000000 ] - [ 0.0015600300000000, -0.0001331300000000, -0.0012448200000000 ] - [ -0.0007605100000000, 0.0000782500000000, -0.0003231700000000 ] - [ 0.0006649200000000, 0.0000000000000000, -0.0003909400000000 ] - [ -0.0006651900000000, 0.0000000000000000, -0.0003989100000000 ] - [ -0.0010231000000000, 0.0000000000000000, 0.0000685500000000 ] - [ -0.0011066100000000, 0.0000000000000000, -0.0008804300000000 ] - [ -0.0010587500000000, -0.0002416100000000, 0.0001260100000000 ] - [ -0.0012655100000000, 0.0006846100000000, -0.0009822700000000 ] - [ -0.0010587500000000, 0.0002416100000000, 0.0001260100000000 ] - [ -0.0012655100000000, -0.0006846100000000, -0.0009822700000000 ] - [ -0.0008541500000000, -0.0027703700000000, 0.0034725700000000 ] - [ 0.0002489800000000, 0.0000476800000000, -0.0000243600000000 ] - [ -0.0008541500000000, 0.0027703700000000, 0.0034725700000000 ] - [ 0.0002489800000000, -0.0000476800000000, -0.0000243600000000 ] - [ 0.0011221000000000, 0.0000000000000000, 0.0007434000000000 ] - [ 0.0002428900000000, 0.0000000000000000, -0.0000139800000000 ] - [ 0.1075539500000000, 0.0000000000000000, -0.0003162800000000 ] - [ -0.0024857000000000, 0.0000000000000000, 0.0001914300000000 ] - [ 0.0011775500000000, -0.0002078300000000, 0.0010107900000000 ] - [ -0.0023695000000000, 0.0000408100000000, 0.0001852300000000 ] - [ 0.0011775500000000, 0.0002078300000000, 0.0010107900000000 ] - [ -0.0023695000000000, -0.0000408100000000, 0.0001852300000000 ] - [ -0.0032027300000000, 0.0050335600000000, 0.0034870500000000 ] - [ 0.0000782100000000, -0.0001939400000000, -0.0007298800000000 ] - [ -0.0032027300000000, -0.0050335600000000, 0.0034870500000000 ] - [ 0.0000782100000000, 0.0001939400000000, -0.0007298800000000 ] - [ 0.0022100200000000, 0.0000000000000000, -0.0002046700000000 ] - [ 0.0007629300000000, 0.0000000000000000, -0.0005717200000000 ] - [ -0.0023662500000000, 0.0000000000000000, -0.0022187500000000 ] - [ -0.0094662500000000, 0.0000000000000000, -0.0023799600000000 ] - [ -0.0019858100000000, -0.0002028700000000, -0.0022387500000000 ] - [ -0.0016533000000000, 0.0005655900000000, -0.0020551700000000 ] - [ -0.0019858100000000, 0.0002028700000000, -0.0022387500000000 ] - [ -0.0016533000000000, -0.0005655900000000, -0.0020551700000000 ] - [ -0.0010944200000000, -0.0034480800000000, -0.0003827400000000 ] - [ 0.0009686500000000, 0.0000758100000000, 0.0021448000000000 ] - [ -0.0010944200000000, 0.0034480800000000, -0.0003827400000000 ] - [ 0.0009686500000000, -0.0000758100000000, 0.0021448000000000 ] - [ 0.0018337500000000, 0.0000000000000000, 0.0020002000000000 ] - [ 0.0012922000000000, 0.0000000000000000, 0.0021227900000000 ] - [ -0.0078300500000000, 0.0000000000000000, -0.0060549000000000 ] - [ -0.0042253100000000, 0.0000000000000000, -0.0023322800000000 ] - [ -0.0053359100000000, -0.0028580400000000, -0.0038651000000000 ] - [ -0.0036385600000000, 0.0001350500000000, -0.0026866700000000 ] - [ -0.0053359100000000, 0.0028580400000000, -0.0038651000000000 ] - [ -0.0036385600000000, -0.0001350500000000, -0.0026866700000000 ] - [ 0.0050275700000000, 0.0001689800000000, 0.0030532500000000 ] - [ 0.0023291100000000, -0.0000261600000000, 0.0021529900000000 ] - [ 0.0050275700000000, -0.0001689800000000, 0.0030532500000000 ] - [ 0.0023291100000000, 0.0000261600000000, 0.0021529900000000 ] - [ 0.0042604200000000, 0.0000000000000000, 0.0031392600000000 ] - [ 0.0023721800000000, 0.0000000000000000, 0.0021549000000000 ] - [ 0.0013207500000000, 0.0000000000000000, 0.0010186100000000 ] - [ -0.0000285900000000, 0.0000000000000000, -0.0003430300000000 ] - [ 0.0012428500000000, 0.0004349500000000, 0.0008975900000000 ] - [ 0.0001961800000000, -0.0000571700000000, -0.0002587400000000 ] - [ 0.0012428500000000, -0.0004349500000000, 0.0008975900000000 ] - [ 0.0001961800000000, 0.0000571700000000, -0.0002587400000000 ] - [ -0.0011309700000000, 0.0002337500000000, -0.0005998100000000 ] - [ -0.0010788000000000, -0.0001177500000000, -0.0003756700000000 ] - [ -0.0011309700000000, -0.0002337500000000, -0.0005998100000000 ] - [ -0.0010788000000000, 0.0001177500000000, -0.0003756700000000 ] - [ -0.0011269100000000, 0.0000000000000000, -0.0006208800000000 ] - [ -0.0010864900000000, 0.0000000000000000, -0.0003904600000000 ] - [ -0.0017787800000000, 0.0000000000000000, 0.0010599000000000 ] - [ -0.0002225500000000, 0.0000000000000000, 0.0009234300000000 ] - [ -0.0020071500000000, 0.0001241200000000, 0.0008526600000000 ] - [ -0.0003479100000000, -0.0000424700000000, 0.0011479200000000 ] - [ -0.0020071500000000, -0.0001241200000000, 0.0008526600000000 ] - [ -0.0003479100000000, 0.0000424700000000, 0.0011479200000000 ] - [ -0.0012891300000000, -0.0002144600000000, -0.0028124500000000 ] - [ 0.0023622400000000, -0.0000428000000000, -0.0001220100000000 ] - [ -0.0012891300000000, 0.0002144600000000, -0.0028124500000000 ] - [ 0.0023622400000000, 0.0000428000000000, -0.0001220100000000 ] - [ -0.0003818500000000, 0.0000000000000000, -0.0014961500000000 ] - [ 0.0022852500000000, 0.0000000000000000, -0.0001135900000000 ] - [ -0.0019888100000000, 0.0000000000000000, 0.0002664400000000 ] - [ -0.0005964700000000, 0.0000000000000000, -0.0010920700000000 ] - [ -0.0023449400000000, -0.0007104300000000, -0.0005550300000000 ] - [ -0.0005822000000000, 0.0000275900000000, -0.0010927000000000 ] - [ -0.0023449400000000, 0.0007104300000000, -0.0005550300000000 ] - [ -0.0005822000000000, -0.0000275900000000, -0.0010927000000000 ] - [ 0.0032433100000000, -0.0008602900000000, 0.0019094200000000 ] - [ 0.0025464100000000, 0.0006054600000000, 0.0002580000000000 ] - [ 0.0032433100000000, 0.0008602900000000, 0.0019094200000000 ] - [ 0.0025464100000000, -0.0006054600000000, 0.0002580000000000 ] - [ 0.0027314700000000, 0.0000000000000000, 0.0017145000000000 ] - [ 0.0015742200000000, 0.0000000000000000, 0.0011568600000000 ] - [ -0.0123515000000000, 0.0000000000000000, 0.0070931500000000 ] - [ -0.0007935300000000, 0.0000000000000000, -0.0005605800000000 ] - [ -0.0043091500000000, 0.0010852300000000, -0.0026450200000000 ] - [ -0.0009260000000000, -0.0001700600000000, -0.0006967300000000 ] - [ -0.0043091500000000, -0.0010852300000000, -0.0026450200000000 ] - [ -0.0009260000000000, 0.0001700600000000, -0.0006967300000000 ] - [ -0.0134830000000000, 0.0111394200000000, -0.0054934100000000 ] - [ 0.0027840400000000, 0.0002504600000000, 0.0016044300000000 ] - [ -0.0134830000000000, -0.0111394200000000, -0.0054934100000000 ] - [ 0.0027840400000000, -0.0002504600000000, 0.0016044300000000 ] - [ 0.0002002100000000, 0.0000000000000000, 0.0003199300000000 ] - [ 0.0025442300000000, 0.0000000000000000, 0.0016560200000000 ] - [ -0.0393695800000000, 0.0000000000000000, 0.0014081200000000 ] - [ 0.0007547400000000, 0.0000000000000000, -0.0003520000000000 ] - [ -0.0020067700000000, -0.0022353100000000, -0.0005476500000000 ] - [ 0.0005343000000000, 0.0000835200000000, -0.0003507400000000 ] - [ -0.0020067700000000, 0.0022353100000000, -0.0005476500000000 ] - [ 0.0005343000000000, -0.0000835200000000, -0.0003507400000000 ] - [ 0.0026957800000000, -0.0000657100000000, 0.0002601600000000 ] - [ 0.0026921000000000, 0.0014476300000000, 0.0016067400000000 ] - [ 0.0026957800000000, 0.0000657100000000, 0.0002601600000000 ] - [ 0.0026921000000000, -0.0014476300000000, 0.0016067400000000 ] - [ 0.0006481900000000, 0.0000000000000000, 0.0003973100000000 ] - [ 0.0010091200000000, 0.0000000000000000, 0.0003973600000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000719000000000, -0.0004880400000000, 0.0003176700000000 ] - [ 0.0000880000000000, -0.0000351000000000, 0.0002954500000000 ] - [ -0.0001415700000000, 0.0005056800000000, 0.0001113400000000 ] - [ 0.0000748100000000, 0.0000038100000000, 0.0002792100000000 ] - [ 0.0003011200000000, 0.0005308600000000, 0.0004719100000000 ] - [ 0.0000942600000000, 0.0000267600000000, 0.0003049600000000 ] - [ -0.0002585600000000, 0.0002418900000000, -0.0032891300000000 ] - [ -0.0000691900000000, -0.0000353400000000, -0.0003011300000000 ] - [ 0.0000807200000000, 0.0002603900000000, 0.0027201100000000 ] - [ -0.0000923400000000, -0.0000126600000000, -0.0002816100000000 ] - [ -0.0000893300000000, 0.0007265000000000, -0.0002919000000000 ] - [ -0.0000848000000000, 0.0000448200000000, -0.0002943300000000 ] - [ -0.0007691300000000, -0.0004598100000000, -0.0001733100000000 ] - [ -0.0007665600000000, -0.0002259000000000, -0.0001712400000000 ] - [ -0.0004790600000000, 0.0002422200000000, -0.0002051500000000 ] - [ -0.0009086000000000, 0.0002438700000000, -0.0002956000000000 ] - [ -0.0010648200000000, 0.0002738500000000, -0.0001662400000000 ] - [ -0.0006324500000000, 0.0002793700000000, -0.0000724600000000 ] - [ 0.0023218200000000, -0.0000837600000000, -0.0005167800000000 ] - [ 0.0007551200000000, -0.0000810600000000, 0.0001949500000000 ] - [ -0.0007793200000000, -0.0000643900000000, 0.0008829600000000 ] - [ 0.0007897700000000, -0.0000491300000000, 0.0001768100000000 ] - [ 0.0007667900000000, 0.0005521000000000, 0.0001725400000000 ] - [ 0.0007697100000000, 0.0001171400000000, 0.0001735300000000 ] - [ -0.0022523800000000, -0.0612882900000000, -0.0001577300000000 ] - [ -0.0014951000000000, -0.0000421400000000, 0.0003685300000000 ] - [ -0.0016800900000000, 0.0057618400000000, 0.0000550600000000 ] - [ -0.0014348800000000, 0.0000103200000000, 0.0003774600000000 ] - [ -0.0013222500000000, 0.0057373200000000, 0.0006715700000000 ] - [ -0.0015549000000000, 0.0000496100000000, 0.0003564100000000 ] - [ -0.0035640600000000, 0.0016200700000000, 0.0027272500000000 ] - [ 0.0016741900000000, -0.0000200300000000, -0.0003478900000000 ] - [ 0.0065820900000000, 0.0016483400000000, -0.0034803300000000 ] - [ 0.0013263400000000, 0.0000176500000000, -0.0003837700000000 ] - [ 0.0014982100000000, 0.0009665900000000, -0.0003711100000000 ] - [ 0.0014991800000000, 0.0000588200000000, -0.0003676900000000 ] - [ -0.0015775400000000, -0.0004607200000000, -0.0022156100000000 ] - [ -0.0015603500000000, 0.0001715500000000, -0.0022139400000000 ] - [ -0.0013554200000000, 0.0002014600000000, -0.0022071300000000 ] - [ -0.0018341600000000, 0.0001791700000000, -0.0022275000000000 ] - [ -0.0018004700000000, 0.0002257900000000, -0.0022148600000000 ] - [ -0.0013240500000000, 0.0002065300000000, -0.0021943300000000 ] - [ 0.0030335300000000, 0.0003421300000000, 0.0029077000000000 ] - [ 0.0011810800000000, -0.0000978600000000, 0.0021966900000000 ] - [ 0.0001250800000000, 0.0003561800000000, 0.0015132500000000 ] - [ 0.0019783800000000, -0.0000745100000000, 0.0022247700000000 ] - [ 0.0015770000000000, 0.0005684400000000, 0.0022143800000000 ] - [ 0.0015787400000000, 0.0001971500000000, 0.0022147400000000 ] - [ -0.0031079100000000, -0.0027668700000000, -0.0025146600000000 ] - [ -0.0031061100000000, -0.0001469900000000, -0.0025153100000000 ] - [ -0.0000480600000000, 0.0052556200000000, -0.0006003200000000 ] - [ -0.0031833700000000, 0.0000586100000000, -0.0025186600000000 ] - [ -0.0061689900000000, 0.0052527800000000, -0.0044080400000000 ] - [ -0.0030441000000000, 0.0000806300000000, -0.0024974900000000 ] - [ 0.0032581000000000, -0.0001441200000000, 0.0034883900000000 ] - [ 0.0030749000000000, -0.0000484600000000, 0.0025454900000000 ] - [ 0.0029707700000000, -0.0001323400000000, 0.0015266500000000 ] - [ 0.0031580900000000, -0.0000274100000000, 0.0024739600000000 ] - [ 0.0031068800000000, 0.0007761600000000, 0.0025143700000000 ] - [ 0.0031100100000000, 0.0000623300000000, 0.0025165300000000 ] - [ 0.0009117800000000, -0.0005137000000000, 0.0002394300000000 ] - [ 0.0009132300000000, -0.0001700300000000, 0.0002408200000000 ] - [ 0.0007598000000000, 0.0003651700000000, 0.0002269400000000 ] - [ 0.0010385000000000, 0.0001060700000000, 0.0002705400000000 ] - [ 0.0010613100000000, 0.0003850800000000, 0.0002713500000000 ] - [ 0.0007849000000000, 0.0001228300000000, 0.0002293100000000 ] - [ -0.0010293300000000, -0.0002712900000000, -0.0003182700000000 ] - [ -0.0008292900000000, -0.0001058200000000, -0.0002145900000000 ] - [ -0.0007902700000000, -0.0002547700000000, -0.0001784500000000 ] - [ -0.0009902300000000, -0.0000914300000000, -0.0002822700000000 ] - [ -0.0009108300000000, 0.0007642900000000, -0.0002373700000000 ] - [ -0.0009111200000000, 0.0001718900000000, -0.0002394700000000 ] - [ -0.0011637800000000, 0.0018118700000000, 0.0005677600000000 ] - [ -0.0011713700000000, 0.0001187800000000, 0.0005711800000000 ] - [ -0.0014381100000000, -0.0008659700000000, -0.0001697100000000 ] - [ -0.0011110300000000, -0.0000537800000000, 0.0006308100000000 ] - [ -0.0008750500000000, -0.0008819400000000, 0.0013071800000000 ] - [ -0.0012124600000000, -0.0000696900000000, 0.0005101300000000 ] - [ 0.0007934800000000, 0.0002922500000000, -0.0001571900000000 ] - [ 0.0011807500000000, 0.0000712100000000, -0.0005753700000000 ] - [ 0.0015319800000000, 0.0002852200000000, -0.0009875800000000 ] - [ 0.0011334900000000, 0.0000560000000000, -0.0005698100000000 ] - [ 0.0011731700000000, -0.0007733800000000, -0.0005715700000000 ] - [ 0.0011669300000000, -0.0001245400000000, -0.0005735300000000 ] - [ -0.0013648600000000, 0.0009995700000000, -0.0013940600000000 ] - [ -0.0013637100000000, 0.0002717800000000, -0.0013879400000000 ] - [ -0.0011415600000000, -0.0005025700000000, -0.0011018000000000 ] - [ -0.0014958700000000, -0.0001015200000000, -0.0013777800000000 ] - [ -0.0015841700000000, -0.0005240900000000, -0.0016870300000000 ] - [ -0.0012343000000000, -0.0001180500000000, -0.0014110400000000 ] - [ 0.0018405600000000, 0.0006764000000000, 0.0015650400000000 ] - [ 0.0008214400000000, 0.0002370300000000, 0.0014958800000000 ] - [ 0.0008762700000000, 0.0006619200000000, 0.0012188000000000 ] - [ 0.0019015500000000, 0.0002236600000000, 0.0012938900000000 ] - [ 0.0013562600000000, -0.0014508800000000, 0.0013876300000000 ] - [ 0.0013623100000000, -0.0003636400000000, 0.0013874600000000 ] - [ -0.0018459200000000, 0.0046637200000000, -0.0012272600000000 ] - [ -0.0018371300000000, 0.0001494500000000, -0.0012700400000000 ] - [ -0.0017346100000000, -0.0013713100000000, 0.0002037500000000 ] - [ -0.0018298000000000, -0.0000667800000000, -0.0012600100000000 ] - [ -0.0019282300000000, -0.0013900300000000, -0.0027386100000000 ] - [ -0.0018387500000000, -0.0000752000000000, -0.0012884400000000 ] - [ -0.0110125000000000, 0.0181921400000000, -0.0061525000000000 ] - [ 0.0018111400000000, 0.0000658100000000, 0.0013038900000000 ] - [ 0.0153408700000000, 0.0187552200000000, 0.0091782500000000 ] - [ 0.0018493600000000, 0.0000596600000000, 0.0012404600000000 ] - [ 0.0018367300000000, -0.0052247800000000, 0.0012679300000000 ] - [ 0.0018332800000000, -0.0001308200000000, 0.0012675100000000 ] - [ -0.0004315500000000, 0.0008315800000000, -0.0004628200000000 ] - [ -0.0005020100000000, 0.0002160900000000, -0.0004586800000000 ] - [ 0.0011930800000000, -0.0008993500000000, -0.0005604200000000 ] - [ -0.0007096700000000, -0.0001130600000000, -0.0005197000000000 ] - [ -0.0021786100000000, -0.0009327300000000, -0.0003507100000000 ] - [ -0.0002972100000000, -0.0001328800000000, -0.0003924700000000 ] - [ 0.0023336200000000, 0.0005071600000000, 0.0003843000000000 ] - [ -0.0002022500000000, 0.0000427200000000, 0.0003601300000000 ] - [ -0.0013298300000000, 0.0004886900000000, 0.0005301400000000 ] - [ 0.0011950700000000, 0.0000287600000000, 0.0005491400000000 ] - [ 0.0004988500000000, -0.0007587700000000, 0.0004586700000000 ] - [ 0.0004990600000000, -0.0003585900000000, 0.0004588000000000 ]- atom: 25 displacement: [ -0.0032316847127924, 0.0000000000000000, 0.0094634144956831 ] forces: - [ -0.0036678400000000, 0.0000000000000000, 0.0088048800000000 ] - [ 0.0000864200000000, 0.0000000000000000, 0.0003104300000000 ] - [ -0.0002834700000000, -0.0000412600000000, 0.0009605300000000 ] - [ 0.0001113700000000, -0.0000010600000000, 0.0002980500000000 ] - [ -0.0002834700000000, 0.0000412600000000, 0.0009605300000000 ] - [ 0.0001113700000000, 0.0000010600000000, 0.0002980500000000 ] - [ 0.0003017000000000, -0.0009525500000000, 0.0028800600000000 ] - [ -0.0001090100000000, -0.0000422400000000, -0.0002577800000000 ] - [ 0.0003017000000000, 0.0009525500000000, 0.0028800600000000 ] - [ -0.0001090100000000, 0.0000422400000000, -0.0002577800000000 ] - [ -0.0002725300000000, 0.0000000000000000, -0.0002368000000000 ] - [ -0.0000976700000000, 0.0000000000000000, -0.0002841300000000 ] - [ -0.0012026600000000, 0.0000000000000000, 0.0002105400000000 ] - [ -0.0006871300000000, 0.0000000000000000, -0.0003509400000000 ] - [ -0.0011561500000000, -0.0001992500000000, 0.0002899600000000 ] - [ -0.0006721600000000, -0.0000063600000000, -0.0003058900000000 ] - [ -0.0011561500000000, 0.0001992500000000, 0.0002899600000000 ] - [ -0.0006721600000000, 0.0000063600000000, -0.0003058900000000 ] - [ -0.0009442800000000, -0.0013094700000000, 0.0017117300000000 ] - [ 0.0007992500000000, 0.0000052500000000, 0.0000495700000000 ] - [ -0.0009442800000000, 0.0013094700000000, 0.0017117300000000 ] - [ 0.0007992500000000, -0.0000052500000000, 0.0000495700000000 ] - [ 0.0007260900000000, 0.0000000000000000, 0.0003041800000000 ] - [ 0.0007866100000000, 0.0000000000000000, 0.0000291000000000 ] - [ 0.0334979100000000, 0.0000000000000000, -0.0537358500000000 ] - [ -0.0016474500000000, 0.0000000000000000, 0.0003650600000000 ] - [ -0.0012407200000000, 0.0002055400000000, -0.0005759400000000 ] - [ -0.0016051700000000, -0.0000099000000000, 0.0003567900000000 ] - [ -0.0012407200000000, -0.0002055400000000, -0.0005759400000000 ] - [ -0.0016051700000000, 0.0000099000000000, 0.0003567900000000 ] - [ -0.0036668400000000, 0.0045379700000000, 0.0000934600000000 ] - [ 0.0013806300000000, -0.0000583200000000, -0.0004043900000000 ] - [ -0.0036668400000000, -0.0045379700000000, 0.0000934600000000 ] - [ 0.0013806300000000, 0.0000583200000000, -0.0004043900000000 ] - [ 0.0015715800000000, 0.0000000000000000, -0.0007247100000000 ] - [ 0.0014499900000000, 0.0000000000000000, -0.0003741300000000 ] - [ -0.0019008000000000, 0.0000000000000000, -0.0027272900000000 ] - [ -0.0044266600000000, 0.0000000000000000, -0.0020335700000000 ] - [ -0.0017479200000000, -0.0001628900000000, -0.0025566300000000 ] - [ -0.0016530400000000, 0.0001665000000000, -0.0022857500000000 ] - [ -0.0017479200000000, 0.0001628900000000, -0.0025566300000000 ] - [ -0.0016530400000000, -0.0001665000000000, -0.0022857500000000 ] - [ 0.0021777000000000, -0.0002137400000000, 0.0013027500000000 ] - [ 0.0011686700000000, 0.0000652700000000, 0.0022319500000000 ] - [ 0.0021777000000000, 0.0002137400000000, 0.0013027500000000 ] - [ 0.0011686700000000, -0.0000652700000000, 0.0022319500000000 ] - [ 0.0015826900000000, 0.0000000000000000, 0.0019331200000000 ] - [ 0.0014925300000000, 0.0000000000000000, 0.0022641100000000 ] - [ -0.0008423100000000, 0.0000000000000000, -0.0018839600000000 ] - [ -0.0034693600000000, 0.0000000000000000, -0.0023074400000000 ] - [ -0.0022957900000000, 0.0012071600000000, -0.0018586800000000 ] - [ -0.0031375400000000, 0.0000615600000000, -0.0024786400000000 ] - [ -0.0022957900000000, -0.0012071600000000, -0.0018586800000000 ] - [ -0.0031375400000000, -0.0000615600000000, -0.0024786400000000 ] - [ 0.0043097100000000, 0.0021490400000000, 0.0047571500000000 ] - [ 0.0030731500000000, -0.0000125100000000, 0.0025662500000000 ] - [ 0.0043097100000000, -0.0021490400000000, 0.0047571500000000 ] - [ 0.0030731500000000, 0.0000125100000000, 0.0025662500000000 ] - [ 0.0033979900000000, 0.0000000000000000, 0.0027359100000000 ] - [ 0.0031116200000000, 0.0000000000000000, 0.0025586300000000 ] - [ 0.0011931000000000, 0.0000000000000000, 0.0008907900000000 ] - [ 0.0011064300000000, 0.0000000000000000, 0.0003288400000000 ] - [ 0.0011600900000000, -0.0000645000000000, 0.0009876900000000 ] - [ 0.0010095900000000, 0.0000081400000000, 0.0003023700000000 ] - [ 0.0011600900000000, 0.0000645000000000, 0.0009876900000000 ] - [ 0.0010095900000000, -0.0000081400000000, 0.0003023700000000 ] - [ -0.0007736300000000, 0.0000424700000000, -0.0000278300000000 ] - [ -0.0007122800000000, 0.0000024900000000, -0.0000099300000000 ] - [ -0.0007736300000000, -0.0000424700000000, -0.0000278300000000 ] - [ -0.0007122800000000, -0.0000024900000000, -0.0000099300000000 ] - [ -0.0005738000000000, 0.0000000000000000, 0.0003202800000000 ] - [ -0.0008294000000000, 0.0000000000000000, -0.0001382600000000 ] - [ -0.0004578800000000, 0.0000000000000000, -0.0011176900000000 ] - [ -0.0012135500000000, 0.0000000000000000, 0.0004920900000000 ] - [ -0.0014576000000000, -0.0005718200000000, -0.0001890100000000 ] - [ -0.0012474200000000, 0.0000109100000000, 0.0005705400000000 ] - [ -0.0014576000000000, 0.0005718200000000, -0.0001890100000000 ] - [ -0.0012474200000000, -0.0000109100000000, 0.0005705400000000 ] - [ 0.0012066500000000, -0.0010935100000000, -0.0034374900000000 ] - [ 0.0011280000000000, 0.0000425900000000, -0.0005249600000000 ] - [ 0.0012066500000000, 0.0010935100000000, -0.0034374900000000 ] - [ 0.0011280000000000, -0.0000425900000000, -0.0005249600000000 ] - [ 0.0011768900000000, 0.0000000000000000, -0.0009209300000000 ] - [ 0.0011334000000000, 0.0000000000000000, -0.0005013400000000 ] - [ -0.0028586500000000, 0.0000000000000000, -0.0018824400000000 ] - [ -0.0011701100000000, 0.0000000000000000, -0.0017409600000000 ] - [ -0.0022478500000000, 0.0004666800000000, -0.0013892600000000 ] - [ -0.0012481900000000, 0.0000939700000000, -0.0016833900000000 ] - [ -0.0022478500000000, -0.0004666800000000, -0.0013892600000000 ] - [ -0.0012481900000000, -0.0000939700000000, -0.0016833900000000 ] - [ 0.0007598000000000, 0.0003117300000000, 0.0016058100000000 ] - [ 0.0019975700000000, 0.0001603600000000, 0.0006781400000000 ] - [ 0.0007598000000000, -0.0003117300000000, 0.0016058100000000 ] - [ 0.0019975700000000, -0.0001603600000000, 0.0006781400000000 ] - [ 0.0008638200000000, 0.0000000000000000, 0.0016967900000000 ] - [ 0.0013544700000000, 0.0000000000000000, 0.0011586900000000 ] - [ -0.0139354700000000, 0.0000000000000000, 0.0194737300000000 ] - [ -0.0017366700000000, 0.0000000000000000, -0.0012568000000000 ] - [ -0.0024805900000000, 0.0017261400000000, -0.0013888100000000 ] - [ -0.0017782100000000, -0.0000135000000000, -0.0012736800000000 ] - [ -0.0024805900000000, -0.0017261400000000, -0.0013888100000000 ] - [ -0.0017782100000000, 0.0000135000000000, -0.0012736800000000 ] - [ 0.0045876000000000, -0.0041195500000000, 0.0079894400000000 ] - [ 0.0019732000000000, 0.0001175400000000, 0.0012917700000000 ] - [ 0.0045876000000000, 0.0041195500000000, 0.0079894400000000 ] - [ 0.0019732000000000, -0.0001175400000000, 0.0012917700000000 ] - [ 0.0020125300000000, 0.0000000000000000, 0.0018324500000000 ] - [ 0.0018927400000000, 0.0000000000000000, 0.0012588700000000 ] - [ -0.0161037400000000, 0.0000000000000000, 0.0010885500000000 ] - [ -0.0002956900000000, 0.0000000000000000, -0.0003518800000000 ] - [ -0.0005520300000000, -0.0006020700000000, 0.0003092200000000 ] - [ -0.0003334900000000, 0.0000843400000000, -0.0003585800000000 ] - [ -0.0005520300000000, 0.0006020700000000, 0.0003092200000000 ] - [ -0.0003334900000000, -0.0000843400000000, -0.0003585800000000 ] - [ 0.0026439500000000, 0.0000142500000000, 0.0004856800000000 ] - [ 0.0003305800000000, 0.0004885200000000, 0.0009832400000000 ] - [ 0.0026439500000000, -0.0000142500000000, 0.0004856800000000 ] - [ 0.0003305800000000, -0.0004885200000000, 0.0009832400000000 ] - [ 0.0008769400000000, 0.0000000000000000, 0.0004765100000000 ] - [ 0.0005239700000000, 0.0000000000000000, 0.0006445200000000 ]- atom: 25 displacement: [ 0.0032316847127924, 0.0000000000000000, -0.0094634144956831 ] forces: - [ 0.0039177600000000, 0.0000000000000000, -0.0083018100000000 ] - [ 0.0001156500000000, 0.0000000000000000, 0.0002938100000000 ] - [ 0.0004823700000000, 0.0000220000000000, -0.0003637100000000 ] - [ 0.0000835600000000, -0.0000219800000000, 0.0002993300000000 ] - [ 0.0004823700000000, -0.0000220000000000, -0.0003637100000000 ] - [ 0.0000835600000000, 0.0000219800000000, 0.0002993300000000 ] - [ -0.0004820800000000, 0.0009085300000000, -0.0034683700000000 ] - [ -0.0000886400000000, 0.0000194900000000, -0.0003401900000000 ] - [ -0.0004820800000000, -0.0009085300000000, -0.0034683700000000 ] - [ -0.0000886400000000, -0.0000194900000000, -0.0003401900000000 ] - [ 0.0000729600000000, 0.0000000000000000, -0.0003725400000000 ] - [ -0.0001069700000000, 0.0000000000000000, -0.0003207200000000 ] - [ -0.0003856600000000, 0.0000000000000000, -0.0005566500000000 ] - [ -0.0009064000000000, 0.0000000000000000, 0.0000056700000000 ] - [ -0.0004394600000000, 0.0001689800000000, -0.0006623600000000 ] - [ -0.0009270000000000, -0.0000256300000000, -0.0000638500000000 ] - [ -0.0004394600000000, -0.0001689800000000, -0.0006623600000000 ] - [ -0.0009270000000000, 0.0000256300000000, -0.0000638500000000 ] - [ 0.0025379500000000, 0.0012771200000000, -0.0013458700000000 ] - [ 0.0007977900000000, -0.0000370400000000, 0.0003223200000000 ] - [ 0.0025379500000000, -0.0012771200000000, -0.0013458700000000 ] - [ 0.0007977900000000, 0.0000370400000000, 0.0003223200000000 ] - [ 0.0008686000000000, 0.0000000000000000, 0.0000393400000000 ] - [ 0.0008038200000000, 0.0000000000000000, 0.0003187700000000 ] - [ -0.0372151500000000, 0.0000000000000000, 0.0563707400000000 ] - [ -0.0013505300000000, 0.0000000000000000, 0.0003733600000000 ] - [ -0.0017523400000000, -0.0002625600000000, 0.0013191400000000 ] - [ -0.0013916300000000, -0.0000286800000000, 0.0003777400000000 ] - [ -0.0017523400000000, 0.0002625600000000, 0.0013191400000000 ] - [ -0.0013916300000000, 0.0000286800000000, 0.0003777400000000 ] - [ 0.0067053000000000, -0.0046147900000000, -0.0008189000000000 ] - [ 0.0016157200000000, 0.0000202200000000, -0.0003308500000000 ] - [ 0.0067053000000000, 0.0046147900000000, -0.0008189000000000 ] - [ 0.0016157200000000, -0.0000202200000000, -0.0003308500000000 ] - [ 0.0014243900000000, 0.0000000000000000, -0.0000079600000000 ] - [ 0.0015460700000000, 0.0000000000000000, -0.0003652000000000 ] - [ -0.0012610600000000, 0.0000000000000000, -0.0017080900000000 ] - [ 0.0012843600000000, 0.0000000000000000, -0.0023977600000000 ] - [ -0.0014157400000000, 0.0001403200000000, -0.0018714200000000 ] - [ -0.0015105200000000, -0.0001903200000000, -0.0021472100000000 ] - [ -0.0014157400000000, -0.0001403200000000, -0.0018714200000000 ] - [ -0.0015105200000000, 0.0001903200000000, -0.0021472100000000 ] - [ 0.0009913300000000, 0.0001927600000000, 0.0031357300000000 ] - [ 0.0019978700000000, -0.0000898700000000, 0.0021999800000000 ] - [ 0.0009913300000000, -0.0001927600000000, 0.0031357300000000 ] - [ 0.0019978700000000, 0.0000898700000000, 0.0021999800000000 ] - [ 0.0015808500000000, 0.0000000000000000, 0.0025093500000000 ] - [ 0.0016700400000000, 0.0000000000000000, 0.0021758100000000 ] - [ -0.0054259200000000, 0.0000000000000000, -0.0031932800000000 ] - [ -0.0027802200000000, 0.0000000000000000, -0.0027496500000000 ] - [ -0.0039913900000000, -0.0012544400000000, -0.0031935900000000 ] - [ -0.0031244900000000, -0.0000832400000000, -0.0025647500000000 ] - [ -0.0039913900000000, 0.0012544400000000, -0.0031935900000000 ] - [ -0.0031244900000000, 0.0000832400000000, -0.0025647500000000 ] - [ 0.0019421400000000, -0.0021958000000000, 0.0002620300000000 ] - [ 0.0031866900000000, -0.0000093100000000, 0.0024750800000000 ] - [ 0.0019421400000000, 0.0021958000000000, 0.0002620300000000 ] - [ 0.0031866900000000, 0.0000093100000000, 0.0024750800000000 ] - [ 0.0028498500000000, 0.0000000000000000, 0.0023207700000000 ] - [ 0.0031351200000000, 0.0000000000000000, 0.0024959800000000 ] - [ 0.0006455200000000, 0.0000000000000000, -0.0004215500000000 ] - [ 0.0007326300000000, 0.0000000000000000, 0.0001415500000000 ] - [ 0.0006765800000000, 0.0000515100000000, -0.0005004000000000 ] - [ 0.0008275600000000, -0.0000240500000000, 0.0001873700000000 ] - [ 0.0006765800000000, -0.0000515100000000, -0.0005004000000000 ] - [ 0.0008275600000000, 0.0000240500000000, 0.0001873700000000 ] - [ -0.0010660000000000, -0.0000590000000000, -0.0004676900000000 ] - [ -0.0011300900000000, -0.0000192200000000, -0.0004833200000000 ] - [ -0.0010660000000000, 0.0000590000000000, -0.0004676900000000 ] - [ -0.0011300900000000, 0.0000192200000000, -0.0004833200000000 ] - [ -0.0012671800000000, 0.0000000000000000, -0.0007976400000000 ] - [ -0.0010145400000000, 0.0000000000000000, -0.0003353500000000 ] - [ -0.0019172900000000, 0.0000000000000000, 0.0022753100000000 ] - [ -0.0011386200000000, 0.0000000000000000, 0.0006505400000000 ] - [ -0.0008852200000000, 0.0005845200000000, 0.0013358000000000 ] - [ -0.0010855400000000, 0.0000041900000000, 0.0005707400000000 ] - [ -0.0008852200000000, -0.0005845200000000, 0.0013358000000000 ] - [ -0.0010855400000000, -0.0000041900000000, 0.0005707400000000 ] - [ 0.0011321700000000, 0.0011235800000000, 0.0023129400000000 ] - [ 0.0012109500000000, -0.0000272900000000, -0.0006160500000000 ] - [ 0.0011321700000000, -0.0011235800000000, 0.0023129400000000 ] - [ 0.0012109500000000, 0.0000272900000000, -0.0006160500000000 ] - [ 0.0011756700000000, 0.0000000000000000, -0.0002183500000000 ] - [ 0.0012243100000000, 0.0000000000000000, -0.0006410300000000 ] - [ 0.0001419400000000, 0.0000000000000000, -0.0009005700000000 ] - [ -0.0015621200000000, 0.0000000000000000, -0.0010399200000000 ] - [ -0.0004756800000000, -0.0004565900000000, -0.0014075000000000 ] - [ -0.0014844500000000, -0.0000790300000000, -0.0011091700000000 ] - [ -0.0004756800000000, 0.0004565900000000, -0.0014075000000000 ] - [ -0.0014844500000000, 0.0000790300000000, -0.0011091700000000 ] - [ 0.0019836000000000, -0.0002981200000000, 0.0011883000000000 ] - [ 0.0007354700000000, -0.0001460800000000, 0.0021222200000000 ] - [ 0.0019836000000000, 0.0002981200000000, 0.0011883000000000 ] - [ 0.0007354700000000, 0.0001460800000000, 0.0021222200000000 ] - [ 0.0018800600000000, 0.0000000000000000, 0.0010871500000000 ] - [ 0.0013772600000000, 0.0000000000000000, 0.0016286000000000 ] - [ 0.0110440500000000, 0.0000000000000000, -0.0234847900000000 ] - [ -0.0019318600000000, 0.0000000000000000, -0.0012909600000000 ] - [ -0.0011820000000000, -0.0017298200000000, -0.0011806100000000 ] - [ -0.0018849400000000, 0.0000211900000000, -0.0012825100000000 ] - [ -0.0011820000000000, 0.0017298200000000, -0.0011806100000000 ] - [ -0.0018849400000000, -0.0000211900000000, -0.0012825100000000 ] - [ -0.0008945000000000, 0.0041293800000000, -0.0055219600000000 ] - [ 0.0016922200000000, -0.0001104600000000, 0.0012671200000000 ] - [ -0.0008945000000000, -0.0041293800000000, -0.0055219600000000 ] - [ 0.0016922200000000, 0.0001104600000000, 0.0012671200000000 ] - [ 0.0016558500000000, 0.0000000000000000, 0.0007149400000000 ] - [ 0.0017780200000000, 0.0000000000000000, 0.0012908100000000 ] - [ 0.0148885500000000, 0.0000000000000000, -0.0021481800000000 ] - [ -0.0007034400000000, 0.0000000000000000, -0.0005587400000000 ] - [ -0.0004615300000000, 0.0006221700000000, -0.0012123500000000 ] - [ -0.0006678100000000, -0.0000658300000000, -0.0005474000000000 ] - [ -0.0004615300000000, -0.0006221700000000, -0.0012123500000000 ] - [ -0.0006678100000000, 0.0000658300000000, -0.0005474000000000 ] - [ -0.0016522600000000, 0.0000065100000000, 0.0004161800000000 ] - [ 0.0006716500000000, -0.0004718500000000, -0.0000807400000000 ] - [ -0.0016522600000000, -0.0000065100000000, 0.0004161800000000 ] - [ 0.0006716500000000, 0.0004718500000000, -0.0000807400000000 ] - [ 0.0001218000000000, 0.0000000000000000, 0.0004307500000000 ] - [ 0.0004766000000000, 0.0000000000000000, 0.0002649200000000 ]- atom: 37 displacement: [ 0.0099999949782129, 0.0000000000000000, -0.0000100217621775 ] forces: - [ 0.0004353500000000, 0.0000000000000000, 0.0005531300000000 ] - [ 0.0004528800000000, 0.0000000000000000, 0.0001245000000000 ] - [ 0.0001615800000000, -0.0001186400000000, 0.0004466000000000 ] - [ 0.0001308000000000, 0.0001853500000000, 0.0003277100000000 ] - [ 0.0001615800000000, 0.0001186400000000, 0.0004466000000000 ] - [ 0.0001308000000000, -0.0001853500000000, 0.0003277100000000 ] - [ 0.0002471700000000, 0.0004016500000000, -0.0006167900000000 ] - [ 0.0004232700000000, -0.0000596600000000, 0.0000511600000000 ] - [ 0.0002471700000000, -0.0004016500000000, -0.0006167900000000 ] - [ 0.0004232700000000, 0.0000596600000000, 0.0000511600000000 ] - [ -0.0001328300000000, 0.0000000000000000, -0.0003477100000000 ] - [ 0.0000029200000000, 0.0000000000000000, -0.0002311300000000 ] - [ -0.0019923800000000, 0.0000000000000000, 0.0001319600000000 ] - [ -0.0005254800000000, 0.0000000000000000, 0.0000080200000000 ] - [ -0.0010491200000000, -0.0006332800000000, 0.0004433400000000 ] - [ -0.0005540600000000, 0.0000060900000000, -0.0000711300000000 ] - [ -0.0010491200000000, 0.0006332800000000, 0.0004433400000000 ] - [ -0.0005540600000000, -0.0000060900000000, -0.0000711300000000 ] - [ 0.0010399600000000, -0.0000034400000000, 0.0002988000000000 ] - [ 0.0037756200000000, -0.0055527600000000, 0.0045444300000000 ] - [ 0.0010399600000000, 0.0000034400000000, 0.0002988000000000 ] - [ 0.0037756200000000, 0.0055527600000000, 0.0045444300000000 ] - [ 0.0010022700000000, 0.0000000000000000, 0.0002480600000000 ] - [ 0.0002973100000000, 0.0000000000000000, 0.0000875600000000 ] - [ -0.0007087900000000, 0.0000000000000000, 0.0003023200000000 ] - [ 0.0064034000000000, 0.0000000000000000, 0.0000313300000000 ] - [ -0.0010898800000000, -0.0002436900000000, 0.0003314700000000 ] - [ -0.0014242300000000, 0.0002370800000000, 0.0003175200000000 ] - [ -0.0010898800000000, 0.0002436900000000, 0.0003314700000000 ] - [ -0.0014242300000000, -0.0002370800000000, 0.0003175200000000 ] - [ 0.0041438500000000, 0.0014272900000000, 0.0011594600000000 ] - [ 0.0021078800000000, -0.0004207700000000, -0.0006000700000000 ] - [ 0.0041438500000000, -0.0014272900000000, 0.0011594600000000 ] - [ 0.0021078800000000, 0.0004207700000000, -0.0006000700000000 ] - [ 0.0012454500000000, 0.0000000000000000, -0.0004540200000000 ] - [ 0.0017832900000000, 0.0000000000000000, -0.0003661900000000 ] - [ -0.0776565100000000, 0.0000000000000000, 0.0032756200000000 ] - [ -0.0012156700000000, 0.0000000000000000, -0.0021349500000000 ] - [ -0.0024413800000000, -0.0008321200000000, -0.0023577200000000 ] - [ -0.0013147100000000, 0.0000035800000000, -0.0021305000000000 ] - [ -0.0024413800000000, 0.0008321200000000, -0.0023577200000000 ] - [ -0.0013147100000000, -0.0000035800000000, -0.0021305000000000 ] - [ 0.0019005100000000, -0.0000070400000000, 0.0023077900000000 ] - [ 0.0017450700000000, -0.0026405500000000, -0.0007017600000000 ] - [ 0.0019005100000000, 0.0000070400000000, 0.0023077900000000 ] - [ 0.0017450700000000, 0.0026405500000000, -0.0007017600000000 ] - [ 0.0018302500000000, 0.0000000000000000, 0.0023011400000000 ] - [ 0.0011717900000000, 0.0000000000000000, 0.0019179900000000 ] - [ 0.0081829300000000, 0.0000000000000000, -0.0122144300000000 ] - [ -0.0023949400000000, 0.0000000000000000, -0.0021669300000000 ] - [ -0.0034148500000000, -0.0003056200000000, -0.0027355500000000 ] - [ -0.0026565100000000, 0.0001911300000000, -0.0022895000000000 ] - [ -0.0034148500000000, 0.0003056200000000, -0.0027355500000000 ] - [ -0.0026565100000000, -0.0001911300000000, -0.0022895000000000 ] - [ 0.0037850000000000, 0.0001218400000000, 0.0028378200000000 ] - [ 0.0030430200000000, -0.0001279700000000, 0.0022545000000000 ] - [ 0.0037850000000000, -0.0001218400000000, 0.0028378200000000 ] - [ 0.0030430200000000, 0.0001279700000000, 0.0022545000000000 ] - [ 0.0037290700000000, 0.0000000000000000, 0.0028192900000000 ] - [ 0.0029112000000000, 0.0000000000000000, 0.0023473300000000 ] - [ 0.0013088100000000, 0.0000000000000000, 0.0004655300000000 ] - [ 0.0003029900000000, 0.0000000000000000, 0.0003179800000000 ] - [ 0.0012632000000000, -0.0000198900000000, 0.0004572000000000 ] - [ 0.0000595900000000, -0.0002844200000000, -0.0000742600000000 ] - [ 0.0012632000000000, 0.0000198900000000, 0.0004572000000000 ] - [ 0.0000595900000000, 0.0002844200000000, -0.0000742600000000 ] - [ -0.0014993100000000, 0.0001046400000000, -0.0006061100000000 ] - [ -0.0004967700000000, -0.0000493200000000, -0.0000038900000000 ] - [ -0.0014993100000000, -0.0001046400000000, -0.0006061100000000 ] - [ -0.0004967700000000, 0.0000493200000000, -0.0000038900000000 ] - [ -0.0015104300000000, 0.0000000000000000, -0.0004885900000000 ] - [ -0.0005557300000000, 0.0000000000000000, -0.0000379800000000 ] - [ -0.0007365100000000, 0.0000000000000000, 0.0015773200000000 ] - [ -0.0017994600000000, 0.0000000000000000, 0.0001653300000000 ] - [ -0.0007392400000000, 0.0002155300000000, 0.0007392000000000 ] - [ -0.0016582300000000, -0.0002061100000000, 0.0002287600000000 ] - [ -0.0007392400000000, -0.0002155300000000, 0.0007392000000000 ] - [ -0.0016582300000000, 0.0002061100000000, 0.0002287600000000 ] - [ 0.0005765700000000, -0.0000801400000000, -0.0008354700000000 ] - [ 0.0012943600000000, 0.0000706000000000, -0.0019314900000000 ] - [ 0.0005765700000000, 0.0000801400000000, -0.0008354700000000 ] - [ 0.0012943600000000, -0.0000706000000000, -0.0019314900000000 ] - [ 0.0008064500000000, 0.0000000000000000, -0.0008607700000000 ] - [ 0.0015292100000000, 0.0000000000000000, -0.0006543400000000 ] - [ -0.0020385100000000, 0.0000000000000000, -0.0016150000000000 ] - [ -0.0003107100000000, 0.0000000000000000, -0.0003569100000000 ] - [ -0.0019863200000000, 0.0000316700000000, -0.0016109000000000 ] - [ -0.0005710300000000, -0.0004200100000000, -0.0005002900000000 ] - [ -0.0019863200000000, -0.0000316700000000, -0.0016109000000000 ] - [ -0.0005710300000000, 0.0004200100000000, -0.0005002900000000 ] - [ 0.0055195400000000, -0.0005789700000000, 0.0025246000000000 ] - [ 0.0007462800000000, 0.0000929800000000, 0.0012211700000000 ] - [ 0.0055195400000000, 0.0005789700000000, 0.0025246000000000 ] - [ 0.0007462800000000, -0.0000929800000000, 0.0012211700000000 ] - [ 0.0020211200000000, 0.0000000000000000, 0.0018122300000000 ] - [ 0.0008391200000000, 0.0000000000000000, 0.0012188300000000 ] - [ -0.0029939700000000, 0.0000000000000000, -0.0022872100000000 ] - [ -0.0024705700000000, 0.0000000000000000, 0.0001993100000000 ] - [ -0.0024211900000000, 0.0007951900000000, -0.0017149300000000 ] - [ -0.0018339400000000, -0.0003025500000000, -0.0011292400000000 ] - [ -0.0024211900000000, -0.0007951900000000, -0.0017149300000000 ] - [ -0.0018339400000000, 0.0003025500000000, -0.0011292400000000 ] - [ 0.0012270800000000, -0.0010370800000000, 0.0013782300000000 ] - [ 0.0007983200000000, 0.0013913400000000, 0.0004904400000000 ] - [ 0.0012270800000000, 0.0010370800000000, 0.0013782300000000 ] - [ 0.0007983200000000, -0.0013913400000000, 0.0004904400000000 ] - [ 0.0019191900000000, 0.0000000000000000, 0.0014065200000000 ] - [ 0.0015152100000000, 0.0000000000000000, 0.0010966800000000 ] - [ -0.0012821900000000, 0.0000000000000000, -0.0005418000000000 ] - [ 0.0349542900000000, 0.0000000000000000, -0.0018693800000000 ] - [ -0.0010724700000000, 0.0000363500000000, -0.0005425500000000 ] - [ 0.0002607000000000, -0.0012766200000000, 0.0003817000000000 ] - [ -0.0010724700000000, -0.0000363500000000, -0.0005425500000000 ] - [ 0.0002607000000000, 0.0012766200000000, 0.0003817000000000 ] - [ 0.0033671000000000, -0.0019396900000000, -0.0009444700000000 ] - [ -0.0001930200000000, 0.0000443300000000, 0.0003440900000000 ] - [ 0.0033671000000000, 0.0019396900000000, -0.0009444700000000 ] - [ -0.0001930200000000, -0.0000443300000000, 0.0003440900000000 ] - [ 0.0012323300000000, 0.0000000000000000, 0.0004887500000000 ] - [ 0.0000474700000000, 0.0000000000000000, 0.0003519000000000 ]- atom: 37 displacement: [ -0.0099999949782129, 0.0000000000000000, 0.0000100217621775 ] forces: - [ -0.0002389200000000, 0.0000000000000000, 0.0000481000000000 ] - [ -0.0002575500000000, 0.0000000000000000, 0.0004729000000000 ] - [ 0.0000287400000000, 0.0000958300000000, 0.0001480100000000 ] - [ 0.0000558900000000, -0.0002074600000000, 0.0002659100000000 ] - [ 0.0000287400000000, -0.0000958300000000, 0.0001480100000000 ] - [ 0.0000558900000000, 0.0002074600000000, 0.0002659100000000 ] - [ -0.0004331200000000, -0.0004252200000000, 0.0000189500000000 ] - [ -0.0006111900000000, 0.0000358300000000, -0.0006425500000000 ] - [ -0.0004331200000000, 0.0004252200000000, 0.0000189500000000 ] - [ -0.0006111900000000, -0.0000358300000000, -0.0006425500000000 ] - [ -0.0000601200000000, 0.0000000000000000, -0.0002541300000000 ] - [ -0.0001993700000000, 0.0000000000000000, -0.0003692500000000 ] - [ 0.0004139400000000, 0.0000000000000000, -0.0004738800000000 ] - [ -0.0010464500000000, 0.0000000000000000, -0.0003499000000000 ] - [ -0.0005291500000000, 0.0005837900000000, -0.0007958100000000 ] - [ -0.0010242200000000, -0.0000375100000000, -0.0002957000000000 ] - [ -0.0005291500000000, -0.0005837900000000, -0.0007958100000000 ] - [ -0.0010242200000000, 0.0000375100000000, -0.0002957000000000 ] - [ 0.0005411000000000, -0.0000279900000000, 0.0000687500000000 ] - [ -0.0021792700000000, 0.0054668700000000, -0.0041307100000000 ] - [ 0.0005411000000000, 0.0000279900000000, 0.0000687500000000 ] - [ -0.0021792700000000, -0.0054668700000000, -0.0041307100000000 ] - [ 0.0005725600000000, 0.0000000000000000, 0.0000948700000000 ] - [ 0.0012703800000000, 0.0000000000000000, 0.0002547700000000 ] - [ -0.0022815400000000, 0.0000000000000000, 0.0004407100000000 ] - [ -0.0092877800000000, 0.0000000000000000, 0.0007090200000000 ] - [ -0.0018978500000000, 0.0002020500000000, 0.0004065000000000 ] - [ -0.0015723100000000, -0.0002726500000000, 0.0004180800000000 ] - [ -0.0018978500000000, -0.0002020500000000, 0.0004065000000000 ] - [ -0.0015723100000000, 0.0002726500000000, 0.0004180800000000 ] - [ -0.0011733400000000, -0.0014798500000000, -0.0019125700000000 ] - [ 0.0008909400000000, 0.0003773200000000, -0.0001399600000000 ] - [ -0.0011733400000000, 0.0014798500000000, -0.0019125700000000 ] - [ 0.0008909400000000, -0.0003773200000000, -0.0001399600000000 ] - [ 0.0017518400000000, 0.0000000000000000, -0.0002844400000000 ] - [ 0.0012125000000000, 0.0000000000000000, -0.0003744500000000 ] - [ 0.0726805100000000, 0.0000000000000000, -0.0078585700000000 ] - [ -0.0019348000000000, 0.0000000000000000, -0.0023016400000000 ] - [ -0.0007182100000000, 0.0007912000000000, -0.0020697200000000 ] - [ -0.0018382700000000, -0.0000270700000000, -0.0022976600000000 ] - [ -0.0007182100000000, -0.0007912000000000, -0.0020697200000000 ] - [ -0.0018382700000000, 0.0000270700000000, -0.0022976600000000 ] - [ 0.0012563500000000, -0.0000167200000000, 0.0021216200000000 ] - [ 0.0014162200000000, 0.0025866300000000, 0.0050989900000000 ] - [ 0.0012563500000000, 0.0000167200000000, 0.0021216200000000 ] - [ 0.0014162200000000, -0.0025866300000000, 0.0050989900000000 ] - [ 0.0013242500000000, 0.0000000000000000, 0.0021367100000000 ] - [ 0.0019771600000000, 0.0000000000000000, 0.0025188500000000 ] - [ -0.0145651000000000, 0.0000000000000000, 0.0073221200000000 ] - [ -0.0038459900000000, 0.0000000000000000, -0.0028719800000000 ] - [ -0.0028427300000000, 0.0002779500000000, -0.0022947200000000 ] - [ -0.0036009400000000, -0.0002101500000000, -0.0027383600000000 ] - [ -0.0028427300000000, -0.0002779500000000, -0.0022947200000000 ] - [ -0.0036009400000000, 0.0002101500000000, -0.0027383600000000 ] - [ 0.0024782500000000, -0.0001439000000000, 0.0021938100000000 ] - [ 0.0032148000000000, 0.0001064600000000, 0.0027705200000000 ] - [ 0.0024782500000000, 0.0001439000000000, 0.0021938100000000 ] - [ 0.0032148000000000, -0.0001064600000000, 0.0027705200000000 ] - [ 0.0025210100000000, 0.0000000000000000, 0.0022257600000000 ] - [ 0.0033335500000000, 0.0000000000000000, 0.0026936000000000 ] - [ 0.0005347200000000, 0.0000000000000000, 0.0000171400000000 ] - [ 0.0015270300000000, 0.0000000000000000, 0.0001399300000000 ] - [ 0.0005777400000000, 0.0000035900000000, 0.0000448500000000 ] - [ 0.0017695800000000, 0.0002623900000000, 0.0005685700000000 ] - [ 0.0005777400000000, -0.0000035900000000, 0.0000448500000000 ] - [ 0.0017695800000000, -0.0002623900000000, 0.0005685700000000 ] - [ -0.0003404500000000, -0.0001201600000000, 0.0000951800000000 ] - [ -0.0013404500000000, 0.0000328200000000, -0.0004954200000000 ] - [ -0.0003404500000000, 0.0001201600000000, 0.0000951800000000 ] - [ -0.0013404500000000, -0.0000328200000000, -0.0004954200000000 ] - [ -0.0003356100000000, 0.0000000000000000, 0.0000056300000000 ] - [ -0.0012836600000000, 0.0000000000000000, -0.0004427600000000 ] - [ -0.0016178100000000, 0.0000000000000000, -0.0004218900000000 ] - [ -0.0005398500000000, 0.0000000000000000, 0.0009699800000000 ] - [ -0.0015820400000000, -0.0002009600000000, 0.0003965200000000 ] - [ -0.0006622300000000, 0.0002198700000000, 0.0009062200000000 ] - [ -0.0015820400000000, 0.0002009600000000, 0.0003965200000000 ] - [ -0.0006622300000000, -0.0002198700000000, 0.0009062200000000 ] - [ 0.0017387700000000, 0.0000964800000000, -0.0003026200000000 ] - [ 0.0010326100000000, -0.0000576100000000, 0.0007897400000000 ] - [ 0.0017387700000000, -0.0000964800000000, -0.0003026200000000 ] - [ 0.0010326100000000, 0.0000576100000000, 0.0007897400000000 ] - [ 0.0015278700000000, 0.0000000000000000, -0.0002784100000000 ] - [ 0.0008160000000000, 0.0000000000000000, -0.0004834400000000 ] - [ -0.0006948300000000, 0.0000000000000000, -0.0011804600000000 ] - [ -0.0024187500000000, 0.0000000000000000, -0.0024218900000000 ] - [ -0.0007487400000000, -0.0000166900000000, -0.0011954400000000 ] - [ -0.0021557000000000, 0.0004313200000000, -0.0022960800000000 ] - [ -0.0007487400000000, 0.0000166900000000, -0.0011954400000000 ] - [ -0.0021557000000000, -0.0004313200000000, -0.0022960800000000 ] - [ -0.0027708600000000, 0.0005729400000000, 0.0003010000000000 ] - [ 0.0019814400000000, -0.0000756100000000, 0.0015826800000000 ] - [ -0.0027708600000000, -0.0005729400000000, 0.0003010000000000 ] - [ 0.0019814400000000, 0.0000756100000000, 0.0015826800000000 ] - [ 0.0007136100000000, 0.0000000000000000, 0.0009875200000000 ] - [ 0.0018876800000000, 0.0000000000000000, 0.0015743600000000 ] - [ -0.0006946600000000, 0.0000000000000000, -0.0002812500000000 ] - [ -0.0012157200000000, 0.0000000000000000, -0.0027375900000000 ] - [ -0.0012590000000000, -0.0007854600000000, -0.0008615900000000 ] - [ -0.0018391500000000, 0.0003070300000000, -0.0014373500000000 ] - [ -0.0012590000000000, 0.0007854600000000, -0.0008615900000000 ] - [ -0.0018391500000000, -0.0003070300000000, -0.0014373500000000 ] - [ 0.0024254100000000, 0.0010307800000000, 0.0011952800000000 ] - [ 0.0028668800000000, -0.0013636000000000, 0.0020690600000000 ] - [ 0.0024254100000000, -0.0010307800000000, 0.0011952800000000 ] - [ 0.0028668800000000, 0.0013636000000000, 0.0020690600000000 ] - [ 0.0017576000000000, 0.0000000000000000, 0.0011522500000000 ] - [ 0.0021644700000000, 0.0000000000000000, 0.0014643500000000 ] - [ 0.0002558200000000, 0.0000000000000000, -0.0003834200000000 ] - [ -0.0341333100000000, 0.0000000000000000, 0.0007687400000000 ] - [ 0.0000449700000000, -0.0000174300000000, -0.0003784200000000 ] - [ -0.0012720500000000, 0.0012907800000000, -0.0013015900000000 ] - [ 0.0000449700000000, 0.0000174300000000, -0.0003784200000000 ] - [ -0.0012720500000000, -0.0012907800000000, -0.0013015900000000 ] - [ -0.0023139400000000, 0.0020298900000000, 0.0019327300000000 ] - [ 0.0012103300000000, -0.0000243500000000, 0.0005757500000000 ] - [ -0.0023139400000000, -0.0020298900000000, 0.0019327300000000 ] - [ 0.0012103300000000, 0.0000243500000000, 0.0005757500000000 ] - [ -0.0002106700000000, 0.0000000000000000, 0.0004348300000000 ] - [ 0.0009704500000000, 0.0000000000000000, 0.0005722700000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001048000000000, -0.0001862600000000, 0.0002982800000000 ] - [ 0.0001027600000000, -0.0005827500000000, 0.0003007500000000 ] - [ -0.0001699400000000, 0.0000726000000000, 0.0000589800000000 ] - [ 0.0002771600000000, 0.0002516700000000, 0.0003315100000000 ] - [ 0.0003679500000000, 0.0000966800000000, 0.0005311000000000 ] - [ -0.0000751000000000, 0.0002763100000000, 0.0002610600000000 ] - [ -0.0001029500000000, -0.0003593400000000, -0.0003034400000000 ] - [ -0.0006842500000000, -0.0001686800000000, -0.0005051800000000 ] - [ -0.0000964200000000, -0.0003416700000000, -0.0002888200000000 ] - [ 0.0004830700000000, -0.0001466500000000, -0.0000902900000000 ] - [ -0.0001045100000000, 0.0004702000000000, -0.0002992000000000 ] - [ -0.0001030700000000, 0.0001511700000000, -0.0002993200000000 ] - [ -0.0007771800000000, -0.0032212200000000, -0.0001489900000000 ] - [ -0.0007807800000000, -0.0000303900000000, -0.0001756600000000 ] - [ 0.0000719100000000, 0.0056867000000000, -0.0037860600000000 ] - [ -0.0007449600000000, 0.0000045300000000, -0.0001353400000000 ] - [ -0.0016294900000000, 0.0056944200000000, 0.0033974900000000 ] - [ -0.0008233500000000, 0.0000371100000000, -0.0002400900000000 ] - [ 0.0008086900000000, -0.0000327400000000, 0.0002143600000000 ] - [ -0.0038785500000000, 0.0024433600000000, -0.0032498500000000 ] - [ 0.0007575900000000, -0.0000017500000000, 0.0001608300000000 ] - [ 0.0054620700000000, 0.0024588200000000, 0.0036398900000000 ] - [ 0.0007798100000000, 0.0000423700000000, 0.0001750000000000 ] - [ 0.0007825400000000, 0.0012677700000000, 0.0001769400000000 ] - [ -0.0015039400000000, -0.0004606300000000, 0.0003692800000000 ] - [ -0.0015408500000000, 0.0001718100000000, 0.0003729400000000 ] - [ -0.0016936700000000, 0.0001935900000000, 0.0004621300000000 ] - [ -0.0009257200000000, 0.0001716900000000, 0.0003753300000000 ] - [ -0.0013129700000000, 0.0002331900000000, 0.0002715900000000 ] - [ -0.0020764300000000, 0.0002137000000000, 0.0003593900000000 ] - [ 0.0049117600000000, 0.0003307700000000, 0.0005829900000000 ] - [ 0.0014123100000000, -0.0001029600000000, -0.0003132700000000 ] - [ -0.0019247300000000, 0.0003674700000000, -0.0013220000000000 ] - [ 0.0015877600000000, -0.0000695000000000, -0.0004171900000000 ] - [ 0.0014997300000000, 0.0005684700000000, -0.0003690200000000 ] - [ 0.0015021900000000, 0.0001971800000000, -0.0003685100000000 ] - [ -0.0014568800000000, -0.0616105100000000, -0.0018429800000000 ] - [ -0.0015797700000000, -0.0000518900000000, -0.0022185000000000 ] - [ -0.0007635000000000, 0.0074530300000000, -0.0021654200000000 ] - [ -0.0015959700000000, 0.0000088300000000, -0.0022207100000000 ] - [ -0.0023858300000000, 0.0074079700000000, -0.0022605300000000 ] - [ -0.0015650400000000, 0.0000334000000000, -0.0022076400000000 ] - [ 0.0015839800000000, -0.0000398600000000, 0.0021918100000000 ] - [ -0.0010239900000000, 0.0020982000000000, 0.0051022200000000 ] - [ 0.0015742200000000, -0.0000168700000000, 0.0022361500000000 ] - [ 0.0041964800000000, 0.0021057200000000, -0.0006863400000000 ] - [ 0.0015783200000000, 0.0000698000000000, 0.0022182300000000 ] - [ 0.0015813400000000, 0.0016940800000000, 0.0022182600000000 ] - [ -0.0030812400000000, -0.0035095300000000, -0.0025433100000000 ] - [ -0.0031154200000000, -0.0001549100000000, -0.0025215700000000 ] - [ -0.0038835500000000, 0.0006535600000000, -0.0025691800000000 ] - [ -0.0030641200000000, 0.0000904600000000, -0.0025098500000000 ] - [ -0.0023602500000000, 0.0006761900000000, -0.0024596400000000 ] - [ -0.0031773800000000, 0.0001140600000000, -0.0025181200000000 ] - [ 0.0033235300000000, -0.0001838800000000, 0.0026329100000000 ] - [ 0.0024142400000000, -0.0004160900000000, 0.0027608700000000 ] - [ 0.0029125900000000, -0.0001626500000000, 0.0023925700000000 ] - [ 0.0038287400000000, -0.0003975800000000, 0.0022674300000000 ] - [ 0.0031118600000000, 0.0004004900000000, 0.0025194800000000 ] - [ 0.0031145400000000, 0.0005527700000000, 0.0025211000000000 ] - [ 0.0009177600000000, -0.0000755900000000, 0.0002374900000000 ] - [ 0.0009212700000000, -0.0019701100000000, 0.0002305500000000 ] - [ 0.0008973700000000, 0.0000311900000000, 0.0002277400000000 ] - [ 0.0018591900000000, 0.0016459200000000, 0.0009417200000000 ] - [ 0.0009354400000000, 0.0000482500000000, 0.0002665200000000 ] - [ -0.0000182100000000, 0.0016591500000000, -0.0004425900000000 ] - [ -0.0002098700000000, -0.0006820700000000, -0.0009026100000000 ] - [ -0.0009521200000000, -0.0000494800000000, -0.0002878500000000 ] - [ -0.0016301400000000, -0.0006722700000000, 0.0004127600000000 ] - [ -0.0008842700000000, -0.0000341700000000, -0.0002083800000000 ] - [ -0.0009180100000000, 0.0012029200000000, -0.0002371100000000 ] - [ -0.0009192300000000, 0.0000788200000000, -0.0002389700000000 ] - [ -0.0011599600000000, 0.0004519800000000, 0.0005782800000000 ] - [ -0.0011585000000000, 0.0004290200000000, 0.0005789900000000 ] - [ -0.0006240400000000, -0.0002474600000000, 0.0016184500000000 ] - [ -0.0013151500000000, -0.0002322600000000, 0.0005081100000000 ] - [ -0.0016751100000000, -0.0002655500000000, -0.0004593900000000 ] - [ -0.0009848100000000, -0.0002491800000000, 0.0006474200000000 ] - [ 0.0010701800000000, 0.0001433200000000, -0.0006807600000000 ] - [ 0.0015008300000000, 0.0006008200000000, 0.0008964500000000 ] - [ 0.0012319900000000, 0.0001295700000000, -0.0004718400000000 ] - [ 0.0007999900000000, 0.0005895100000000, -0.0020422800000000 ] - [ 0.0011617900000000, -0.0002969800000000, -0.0005767000000000 ] - [ 0.0011579600000000, -0.0010740800000000, -0.0005787300000000 ] - [ -0.0013597900000000, 0.0002285300000000, -0.0013899900000000 ] - [ -0.0013607200000000, 0.0021132500000000, -0.0013919400000000 ] - [ -0.0013271900000000, -0.0001059300000000, -0.0013899900000000 ] - [ -0.0017211700000000, -0.0011274900000000, -0.0007644100000000 ] - [ -0.0013943300000000, -0.0001211400000000, -0.0014008800000000 ] - [ -0.0010079400000000, -0.0011477000000000, -0.0020315200000000 ] - [ 0.0012315500000000, 0.0045750900000000, 0.0028686500000000 ] - [ 0.0013772800000000, 0.0000542000000000, 0.0013845500000000 ] - [ 0.0014540300000000, 0.0047886600000000, 0.0001826100000000 ] - [ 0.0013510100000000, 0.0000396100000000, 0.0014083600000000 ] - [ 0.0013633900000000, -0.0027783100000000, 0.0013815700000000 ] - [ 0.0013629200000000, -0.0000927000000000, 0.0013907700000000 ] - [ -0.0018461000000000, 0.0020848000000000, -0.0012720800000000 ] - [ -0.0018450300000000, 0.0008882100000000, -0.0012850700000000 ] - [ -0.0012244300000000, -0.0009530400000000, -0.0009529900000000 ] - [ -0.0020872700000000, -0.0003456400000000, -0.0012815200000000 ] - [ -0.0024616100000000, -0.0009602800000000, -0.0016035300000000 ] - [ -0.0016050200000000, -0.0003558100000000, -0.0012812300000000 ] - [ 0.0011368700000000, 0.0006331300000000, 0.0021518600000000 ] - [ 0.0020828300000000, 0.0002124900000000, 0.0012000800000000 ] - [ 0.0025537400000000, 0.0006359900000000, 0.0003992600000000 ] - [ 0.0016154600000000, 0.0002200800000000, 0.0013683600000000 ] - [ 0.0018506000000000, -0.0009419000000000, 0.0012747800000000 ] - [ 0.0018479300000000, -0.0004713000000000, 0.0012757400000000 ] - [ -0.0005034900000000, 0.0000796100000000, -0.0004605300000000 ] - [ -0.0005484100000000, 0.0065147300000000, -0.0004697100000000 ] - [ -0.0003735500000000, -0.0000286600000000, -0.0004777400000000 ] - [ -0.0018520300000000, -0.0018961700000000, -0.0002024600000000 ] - [ -0.0006351300000000, -0.0000482900000000, -0.0004388500000000 ] - [ 0.0008290400000000, -0.0019369900000000, -0.0007202700000000 ] - [ 0.0012109300000000, 0.0111536500000000, 0.0078894100000000 ] - [ 0.0005507900000000, 0.0000484800000000, 0.0004632500000000 ] - [ -0.0002772900000000, 0.0116370200000000, -0.0075873600000000 ] - [ 0.0004661300000000, 0.0000295900000000, 0.0004531400000000 ] - [ 0.0005053900000000, -0.0062094100000000, 0.0004670100000000 ] - [ 0.0005061000000000, -0.0000894300000000, 0.0004605800000000 ]- atom: 37 displacement: [ -0.0032316847127924, 0.0000000000000000, 0.0094634144956831 ] forces: - [ 0.0001965200000000, 0.0000000000000000, 0.0005481500000000 ] - [ 0.0002303500000000, 0.0000000000000000, 0.0007068700000000 ] - [ 0.0002283900000000, 0.0000431000000000, 0.0004861300000000 ] - [ 0.0002319200000000, 0.0000034600000000, 0.0005751000000000 ] - [ 0.0002283900000000, -0.0000431000000000, 0.0004861300000000 ] - [ 0.0002319200000000, -0.0000034600000000, 0.0005751000000000 ] - [ -0.0005384000000000, -0.0004026500000000, 0.0003046500000000 ] - [ 0.0001944100000000, 0.0000334100000000, -0.0003367700000000 ] - [ -0.0005384000000000, 0.0004026500000000, 0.0003046500000000 ] - [ 0.0001944100000000, -0.0000334100000000, -0.0003367700000000 ] - [ -0.0001160500000000, 0.0000000000000000, -0.0000573800000000 ] - [ 0.0000524800000000, 0.0000000000000000, -0.0003719300000000 ] - [ -0.0011567100000000, 0.0000000000000000, 0.0094400900000000 ] - [ -0.0006752400000000, 0.0000000000000000, -0.0001065400000000 ] - [ -0.0017151500000000, -0.0033750700000000, 0.0034024800000000 ] - [ -0.0007201300000000, -0.0000131500000000, -0.0001513200000000 ] - [ -0.0017151500000000, 0.0033750700000000, 0.0034024800000000 ] - [ -0.0007201300000000, 0.0000131500000000, -0.0001513200000000 ] - [ 0.0007483800000000, -0.0000222500000000, 0.0002426900000000 ] - [ 0.0037513800000000, -0.0016281000000000, -0.0008012700000000 ] - [ 0.0007483800000000, 0.0000222500000000, 0.0002426900000000 ] - [ 0.0037513800000000, 0.0016281000000000, -0.0008012700000000 ] - [ 0.0007792500000000, 0.0000000000000000, 0.0002448900000000 ] - [ 0.0007280100000000, 0.0000000000000000, -0.0004609700000000 ] - [ -0.0017399600000000, 0.0000000000000000, -0.0001153700000000 ] - [ -0.0038784100000000, 0.0000000000000000, 0.0007177800000000 ] - [ -0.0015935500000000, 0.0000486900000000, 0.0000471100000000 ] - [ -0.0016598100000000, -0.0000873800000000, 0.0002688600000000 ] - [ -0.0015935500000000, -0.0000486900000000, 0.0000471100000000 ] - [ -0.0016598100000000, 0.0000873800000000, 0.0002688600000000 ] - [ 0.0030781500000000, 0.0001770200000000, -0.0009431200000000 ] - [ 0.0013548900000000, 0.0000972100000000, -0.0002570800000000 ] - [ 0.0030781500000000, -0.0001770200000000, -0.0009431200000000 ] - [ 0.0013548900000000, -0.0000972100000000, -0.0002570800000000 ] - [ 0.0017752400000000, 0.0000000000000000, -0.0005646500000000 ] - [ 0.0014846400000000, 0.0000000000000000, -0.0002987300000000 ] - [ 0.0280583300000000, 0.0000000000000000, -0.0706963200000000 ] - [ -0.0016027600000000, 0.0000000000000000, -0.0021796500000000 ] - [ -0.0014280000000000, 0.0001956400000000, -0.0043791900000000 ] - [ -0.0015720900000000, -0.0000107200000000, -0.0021874700000000 ] - [ -0.0014280000000000, -0.0001956400000000, -0.0043791900000000 ] - [ -0.0015720900000000, 0.0000107200000000, -0.0021874700000000 ] - [ 0.0015504500000000, -0.0000339400000000, 0.0022023400000000 ] - [ -0.0012188000000000, 0.0035576700000000, 0.0040506500000000 ] - [ 0.0015504500000000, 0.0000339400000000, 0.0022023400000000 ] - [ -0.0012188000000000, -0.0035576700000000, 0.0040506500000000 ] - [ 0.0015617800000000, 0.0000000000000000, 0.0022099700000000 ] - [ 0.0014088900000000, 0.0000000000000000, 0.0018014800000000 ] - [ -0.0184141300000000, 0.0000000000000000, 0.0064264700000000 ] - [ -0.0031704000000000, 0.0000000000000000, -0.0026180900000000 ] - [ -0.0037474500000000, 0.0008288600000000, -0.0026120400000000 ] - [ -0.0031610600000000, -0.0000459300000000, -0.0025535100000000 ] - [ -0.0037474500000000, -0.0008288600000000, -0.0026120400000000 ] - [ -0.0031610600000000, 0.0000459300000000, -0.0025535100000000 ] - [ 0.0032862700000000, 0.0000076700000000, 0.0025850000000000 ] - [ 0.0025648000000000, -0.0003967500000000, 0.0032623200000000 ] - [ 0.0032862700000000, -0.0000076700000000, 0.0025850000000000 ] - [ 0.0025648000000000, 0.0003967500000000, 0.0032623200000000 ] - [ 0.0032660600000000, 0.0000000000000000, 0.0025525800000000 ] - [ 0.0029459100000000, 0.0000000000000000, 0.0028209400000000 ] - [ 0.0009624100000000, 0.0000000000000000, 0.0002563800000000 ] - [ 0.0023261000000000, 0.0000000000000000, 0.0048740300000000 ] - [ 0.0009629100000000, 0.0000019200000000, 0.0002723400000000 ] - [ 0.0020076300000000, 0.0017657100000000, 0.0011012600000000 ] - [ 0.0009629100000000, -0.0000019200000000, 0.0002723400000000 ] - [ 0.0020076300000000, -0.0017657100000000, 0.0011012600000000 ] - [ -0.0018607000000000, 0.0002039200000000, 0.0013231900000000 ] - [ -0.0008047700000000, -0.0000108000000000, -0.0002081700000000 ] - [ -0.0018607000000000, -0.0002039200000000, 0.0013231900000000 ] - [ -0.0008047700000000, 0.0000108000000000, -0.0002081700000000 ] - [ -0.0013872400000000, 0.0000000000000000, 0.0007313000000000 ] - [ -0.0008379700000000, 0.0000000000000000, -0.0002186600000000 ] - [ -0.0013515700000000, 0.0000000000000000, -0.0037762800000000 ] - [ -0.0013621600000000, 0.0000000000000000, 0.0005857800000000 ] - [ -0.0014356000000000, -0.0004369400000000, -0.0010285600000000 ] - [ -0.0013380800000000, -0.0000448600000000, 0.0005906300000000 ] - [ -0.0014356000000000, 0.0004369400000000, -0.0010285600000000 ] - [ -0.0013380800000000, 0.0000448600000000, 0.0005906300000000 ] - [ 0.0012514400000000, -0.0000430300000000, -0.0008650500000000 ] - [ -0.0001880600000000, 0.0006184700000000, -0.0014936700000000 ] - [ 0.0012514400000000, 0.0000430300000000, -0.0008650500000000 ] - [ -0.0001880600000000, -0.0006184700000000, -0.0014936700000000 ] - [ 0.0011008000000000, 0.0000000000000000, -0.0007280100000000 ] - [ 0.0004984700000000, 0.0000000000000000, -0.0006611100000000 ] - [ -0.0015128800000000, 0.0000000000000000, -0.0013568000000000 ] - [ 0.0009622200000000, 0.0000000000000000, -0.0038096600000000 ] - [ -0.0014942700000000, 0.0000008000000000, -0.0013591900000000 ] - [ -0.0003495000000000, 0.0002941000000000, -0.0028458700000000 ] - [ -0.0014942700000000, -0.0000008000000000, -0.0013591900000000 ] - [ -0.0003495000000000, -0.0002941000000000, -0.0028458700000000 ] - [ -0.0004234800000000, 0.0022967600000000, 0.0037116800000000 ] - [ 0.0013803100000000, 0.0000043200000000, 0.0013360100000000 ] - [ -0.0004234800000000, -0.0022967600000000, 0.0037116800000000 ] - [ 0.0013803100000000, -0.0000043200000000, 0.0013360100000000 ] - [ 0.0017882300000000, 0.0000000000000000, 0.0019310700000000 ] - [ 0.0013597700000000, 0.0000000000000000, 0.0013357200000000 ] - [ -0.0024922400000000, 0.0000000000000000, -0.0013642300000000 ] - [ -0.0013274300000000, 0.0000000000000000, -0.0018731000000000 ] - [ -0.0022225800000000, 0.0002206700000000, -0.0013694900000000 ] - [ -0.0017195400000000, 0.0001165800000000, -0.0015595900000000 ] - [ -0.0022225800000000, -0.0002206700000000, -0.0013694900000000 ] - [ -0.0017195400000000, -0.0001165800000000, -0.0015595900000000 ] - [ 0.0029763500000000, 0.0016385700000000, 0.0031483900000000 ] - [ 0.0020559500000000, -0.0003377300000000, 0.0016662500000000 ] - [ 0.0029763500000000, -0.0016385700000000, 0.0031483900000000 ] - [ 0.0020559500000000, 0.0003377300000000, 0.0016662500000000 ] - [ 0.0021494800000000, 0.0000000000000000, 0.0016917900000000 ] - [ 0.0018654200000000, 0.0000000000000000, 0.0013530200000000 ] - [ -0.0003189800000000, 0.0000000000000000, -0.0005028300000000 ] - [ -0.0118534600000000, 0.0000000000000000, 0.0049763100000000 ] - [ -0.0004189800000000, -0.0000225100000000, -0.0004878900000000 ] - [ -0.0004190100000000, 0.0003160300000000, 0.0016292400000000 ] - [ -0.0004189800000000, 0.0000225100000000, -0.0004878900000000 ] - [ -0.0004190100000000, -0.0003160300000000, 0.0016292400000000 ] - [ 0.0003436600000000, 0.0072810600000000, 0.0147366400000000 ] - [ 0.0005651700000000, 0.0000309500000000, 0.0003800200000000 ] - [ 0.0003436600000000, -0.0072810600000000, 0.0147366400000000 ] - [ 0.0005651700000000, -0.0000309500000000, 0.0003800200000000 ] - [ 0.0002051600000000, 0.0000000000000000, 0.0024004200000000 ] - [ 0.0004851600000000, 0.0000000000000000, 0.0003878200000000 ]- atom: 37 displacement: [ 0.0032316847127924, 0.0000000000000000, -0.0094634144956831 ] forces: - [ -0.0000243100000000, 0.0000000000000000, 0.0000498500000000 ] - [ -0.0000503600000000, 0.0000000000000000, -0.0001104600000000 ] - [ -0.0000620500000000, -0.0000658500000000, 0.0001060900000000 ] - [ -0.0000605800000000, -0.0000276100000000, 0.0000143700000000 ] - [ -0.0000620500000000, 0.0000658500000000, 0.0001060900000000 ] - [ -0.0000605800000000, 0.0000276100000000, 0.0000143700000000 ] - [ 0.0003667200000000, 0.0003744700000000, -0.0008950600000000 ] - [ -0.0003641800000000, -0.0000566200000000, -0.0002542100000000 ] - [ 0.0003667200000000, -0.0003744700000000, -0.0008950600000000 ] - [ -0.0003641800000000, 0.0000566200000000, -0.0002542100000000 ] - [ -0.0000606400000000, 0.0000000000000000, -0.0005389100000000 ] - [ -0.0002271300000000, 0.0000000000000000, -0.0002236600000000 ] - [ -0.0004251500000000, 0.0000000000000000, -0.0098969400000000 ] - [ -0.0008970500000000, 0.0000000000000000, -0.0002506800000000 ] - [ 0.0001437000000000, 0.0033418300000000, -0.0037899300000000 ] - [ -0.0008586900000000, -0.0000184200000000, -0.0002307400000000 ] - [ 0.0001437000000000, -0.0033418300000000, -0.0037899300000000 ] - [ -0.0008586900000000, 0.0000184200000000, -0.0002307400000000 ] - [ 0.0008305100000000, -0.0000091300000000, 0.0001385000000000 ] - [ -0.0021916000000000, 0.0016223700000000, 0.0011507600000000 ] - [ 0.0008305100000000, 0.0000091300000000, 0.0001385000000000 ] - [ -0.0021916000000000, -0.0016223700000000, 0.0011507600000000 ] - [ 0.0007938100000000, 0.0000000000000000, 0.0001116000000000 ] - [ 0.0008448600000000, 0.0000000000000000, 0.0008160400000000 ] - [ -0.0012453200000000, 0.0000000000000000, 0.0008561000000000 ] - [ 0.0008660800000000, 0.0000000000000000, 0.0000245200000000 ] - [ -0.0013912500000000, -0.0000881800000000, 0.0006900800000000 ] - [ -0.0013261000000000, 0.0000471100000000, 0.0004733900000000 ] - [ -0.0013912500000000, 0.0000881800000000, 0.0006900800000000 ] - [ -0.0013261000000000, -0.0000471100000000, 0.0004733900000000 ] - [ -0.0000739700000000, -0.0002025600000000, 0.0002175900000000 ] - [ 0.0016308700000000, -0.0001344500000000, -0.0004798900000000 ] - [ -0.0000739700000000, 0.0002025600000000, 0.0002175900000000 ] - [ 0.0016308700000000, 0.0001344500000000, -0.0004798900000000 ] - [ 0.0012129000000000, 0.0000000000000000, -0.0001798200000000 ] - [ 0.0015027700000000, 0.0000000000000000, -0.0004430700000000 ] - [ -0.0309276700000000, 0.0000000000000000, 0.0663182900000000 ] - [ -0.0015468400000000, 0.0000000000000000, -0.0022661000000000 ] - [ -0.0017263500000000, -0.0002390700000000, -0.0000600800000000 ] - [ -0.0015793900000000, -0.0000130600000000, -0.0022495000000000 ] - [ -0.0017263500000000, 0.0002390700000000, -0.0000600800000000 ] - [ -0.0015793900000000, 0.0000130600000000, -0.0022495000000000 ] - [ 0.0016008100000000, 0.0000103300000000, 0.0022341200000000 ] - [ 0.0043910000000000, -0.0036077900000000, 0.0003838200000000 ] - [ 0.0016008100000000, -0.0000103300000000, 0.0022341200000000 ] - [ 0.0043910000000000, 0.0036077900000000, 0.0003838200000000 ] - [ 0.0015880200000000, 0.0000000000000000, 0.0022354300000000 ] - [ 0.0017374400000000, 0.0000000000000000, 0.0026488400000000 ] - [ 0.0119682100000000, 0.0000000000000000, -0.0113700600000000 ] - [ -0.0030750900000000, 0.0000000000000000, -0.0024290200000000 ] - [ -0.0025135900000000, -0.0008475300000000, -0.0024236300000000 ] - [ -0.0030956700000000, 0.0000233400000000, -0.0024787500000000 ] - [ -0.0025135900000000, 0.0008475300000000, -0.0024236300000000 ] - [ -0.0030956700000000, -0.0000233400000000, -0.0024787500000000 ] - [ 0.0029731800000000, -0.0000300800000000, 0.0024494200000000 ] - [ 0.0036917800000000, 0.0003745100000000, 0.0017732000000000 ] - [ 0.0029731800000000, 0.0000300800000000, 0.0024494200000000 ] - [ 0.0036917800000000, -0.0003745100000000, 0.0017732000000000 ] - [ 0.0029819200000000, 0.0000000000000000, 0.0024953000000000 ] - [ 0.0032984600000000, 0.0000000000000000, 0.0022278900000000 ] - [ 0.0008624600000000, 0.0000000000000000, 0.0002070200000000 ] - [ -0.0004822900000000, 0.0000000000000000, -0.0043521700000000 ] - [ 0.0008601900000000, -0.0000186100000000, 0.0002102300000000 ] - [ -0.0001695100000000, -0.0017636100000000, -0.0006132800000000 ] - [ 0.0008601900000000, 0.0000186100000000, 0.0002102300000000 ] - [ -0.0001695100000000, 0.0017636100000000, -0.0006132800000000 ] - [ 0.0000328100000000, -0.0002217600000000, -0.0018022000000000 ] - [ -0.0010182600000000, -0.0000049000000000, -0.0002738700000000 ] - [ 0.0000328100000000, 0.0002217600000000, -0.0018022000000000 ] - [ -0.0010182600000000, 0.0000049000000000, -0.0002738700000000 ] - [ -0.0004403800000000, 0.0000000000000000, -0.0011942000000000 ] - [ -0.0009877000000000, 0.0000000000000000, -0.0002442300000000 ] - [ -0.0009943600000000, 0.0000000000000000, 0.0049402600000000 ] - [ -0.0009797600000000, 0.0000000000000000, 0.0005707100000000 ] - [ -0.0008846400000000, 0.0004484500000000, 0.0021807100000000 ] - [ -0.0009856000000000, 0.0000611300000000, 0.0005640300000000 ] - [ -0.0008846400000000, -0.0004484500000000, 0.0021807100000000 ] - [ -0.0009856000000000, -0.0000611300000000, 0.0005640300000000 ] - [ 0.0010745800000000, 0.0000593900000000, -0.0002893700000000 ] - [ 0.0024965700000000, -0.0005970900000000, 0.0003476200000000 ] - [ 0.0010745800000000, -0.0000593900000000, -0.0002893700000000 ] - [ 0.0024965700000000, 0.0005970900000000, 0.0003476200000000 ] - [ 0.0012426600000000, 0.0000000000000000, -0.0004277800000000 ] - [ 0.0018351600000000, 0.0000000000000000, -0.0004924400000000 ] - [ -0.0012184400000000, 0.0000000000000000, -0.0014120400000000 ] - [ -0.0036945900000000, 0.0000000000000000, 0.0010335200000000 ] - [ -0.0012388800000000, 0.0000142100000000, -0.0014203500000000 ] - [ -0.0023802600000000, -0.0002794000000000, 0.0000612600000000 ] - [ -0.0012388800000000, -0.0000142100000000, -0.0014203500000000 ] - [ -0.0023802600000000, 0.0002794000000000, 0.0000612600000000 ] - [ 0.0030918900000000, -0.0025372400000000, -0.0006061000000000 ] - [ 0.0013523600000000, 0.0000109900000000, 0.0014432300000000 ] - [ 0.0030918900000000, 0.0025372400000000, -0.0006061000000000 ] - [ 0.0013523600000000, -0.0000109900000000, 0.0014432300000000 ] - [ 0.0009438300000000, 0.0000000000000000, 0.0008538800000000 ] - [ 0.0013704100000000, 0.0000000000000000, 0.0014323400000000 ] - [ -0.0011923500000000, 0.0000000000000000, -0.0011938500000000 ] - [ -0.0023506000000000, 0.0000000000000000, -0.0006862500000000 ] - [ -0.0014535200000000, -0.0002081400000000, -0.0011943800000000 ] - [ -0.0019548700000000, -0.0001081800000000, -0.0010039600000000 ] - [ -0.0014535200000000, 0.0002081400000000, -0.0011943800000000 ] - [ -0.0019548700000000, 0.0001081800000000, -0.0010039600000000 ] - [ 0.0006880600000000, -0.0016307300000000, -0.0005726900000000 ] - [ 0.0016178500000000, 0.0003405700000000, 0.0008945700000000 ] - [ 0.0006880600000000, 0.0016307300000000, -0.0005726900000000 ] - [ 0.0016178500000000, -0.0003405700000000, 0.0008945700000000 ] - [ 0.0015293900000000, 0.0000000000000000, 0.0008639500000000 ] - [ 0.0018107500000000, 0.0000000000000000, 0.0011975500000000 ] - [ -0.0006742300000000, 0.0000000000000000, -0.0004075600000000 ] - [ 0.0110665500000000, 0.0000000000000000, -0.0058133700000000 ] - [ -0.0005766000000000, 0.0000416000000000, -0.0004179100000000 ] - [ -0.0005700800000000, -0.0002952100000000, -0.0025477100000000 ] - [ -0.0005766000000000, -0.0000416000000000, -0.0004179100000000 ] - [ -0.0005700800000000, 0.0002952100000000, -0.0025477100000000 ] - [ 0.0005733400000000, -0.0077759000000000, -0.0142433600000000 ] - [ 0.0004304000000000, -0.0000114400000000, 0.0005263400000000 ] - [ 0.0005733400000000, 0.0077759000000000, -0.0142433600000000 ] - [ 0.0004304000000000, 0.0000114400000000, 0.0005263400000000 ] - [ 0.0007892900000000, 0.0000000000000000, -0.0014984800000000 ] - [ 0.0005072800000000, 0.0000000000000000, 0.0005232600000000 ]- atom: 49 displacement: [ 0.0099999949782129, 0.0000000000000000, -0.0000100217621775 ] forces: - [ 0.0006352600000000, 0.0000000000000000, 0.0000745800000000 ] - [ 0.0009840200000000, 0.0000000000000000, 0.0006150100000000 ] - [ 0.0000121600000000, -0.0004781600000000, -0.0001582600000000 ] - [ 0.0006841900000000, 0.0001294700000000, 0.0005328700000000 ] - [ 0.0000121600000000, 0.0004781600000000, -0.0001582600000000 ] - [ 0.0006841900000000, -0.0001294700000000, 0.0005328700000000 ] - [ 0.0035932200000000, 0.0037164300000000, -0.0036564600000000 ] - [ 0.0005581700000000, -0.0000443200000000, -0.0002234600000000 ] - [ 0.0035932200000000, -0.0037164300000000, -0.0036564600000000 ] - [ 0.0005581700000000, 0.0000443200000000, -0.0002234600000000 ] - [ -0.0008529900000000, 0.0000000000000000, -0.0005111000000000 ] - [ 0.0004232500000000, 0.0000000000000000, -0.0002636300000000 ] - [ -0.0020197000000000, 0.0000000000000000, -0.0031092100000000 ] - [ -0.0003374200000000, 0.0000000000000000, 0.0001538500000000 ] - [ -0.0013606700000000, 0.0002306600000000, -0.0008224100000000 ] - [ -0.0003611500000000, -0.0000339400000000, 0.0001343200000000 ] - [ -0.0013606700000000, -0.0002306600000000, -0.0008224100000000 ] - [ -0.0003611500000000, 0.0000339400000000, 0.0001343200000000 ] - [ 0.0012769300000000, 0.0000808500000000, 0.0001742800000000 ] - [ 0.0018885600000000, -0.0003258800000000, -0.0002240700000000 ] - [ 0.0012769300000000, -0.0000808500000000, 0.0001742800000000 ] - [ 0.0018885600000000, 0.0003258800000000, -0.0002240700000000 ] - [ 0.0010707100000000, 0.0000000000000000, 0.0000309400000000 ] - [ 0.0008997200000000, 0.0000000000000000, 0.0000757400000000 ] - [ 0.0032136400000000, 0.0000000000000000, 0.0043786200000000 ] - [ -0.0003904700000000, 0.0000000000000000, 0.0003788100000000 ] - [ 0.0007099500000000, -0.0030811200000000, 0.0020171300000000 ] - [ -0.0009807400000000, 0.0000507000000000, 0.0005329600000000 ] - [ 0.0007099500000000, 0.0030811200000000, 0.0020171300000000 ] - [ -0.0009807400000000, -0.0000507000000000, 0.0005329600000000 ] - [ -0.0003984600000000, 0.0001285100000000, 0.0002474700000000 ] - [ 0.0022875600000000, -0.0000609600000000, -0.0001534800000000 ] - [ -0.0003984600000000, -0.0001285100000000, 0.0002474700000000 ] - [ 0.0022875600000000, 0.0000609600000000, -0.0001534800000000 ] - [ 0.0003559700000000, 0.0000000000000000, -0.0004648400000000 ] - [ 0.0022387900000000, 0.0000000000000000, -0.0001242600000000 ] - [ 0.0098626600000000, 0.0000000000000000, -0.0144859400000000 ] - [ -0.0008521700000000, 0.0000000000000000, -0.0020265700000000 ] - [ -0.0018673000000000, 0.0007507700000000, -0.0029720500000000 ] - [ -0.0011066300000000, -0.0000684500000000, -0.0020933800000000 ] - [ -0.0018673000000000, -0.0007507700000000, -0.0029720500000000 ] - [ -0.0011066300000000, 0.0000684500000000, -0.0020933800000000 ] - [ 0.0022330100000000, 0.0001931000000000, 0.0026086700000000 ] - [ 0.0014928600000000, -0.0007221300000000, 0.0015928200000000 ] - [ 0.0022330100000000, -0.0001931000000000, 0.0026086700000000 ] - [ 0.0014928600000000, 0.0007221300000000, 0.0015928200000000 ] - [ 0.0021835300000000, 0.0000000000000000, 0.0025807000000000 ] - [ 0.0013665800000000, 0.0000000000000000, 0.0019649900000000 ] - [ -0.0804508900000000, 0.0000000000000000, -0.0041166200000000 ] - [ -0.0024784800000000, 0.0000000000000000, -0.0023053000000000 ] - [ -0.0057007700000000, 0.0000171300000000, -0.0034139700000000 ] - [ -0.0025265300000000, 0.0000109300000000, -0.0022957100000000 ] - [ -0.0057007700000000, -0.0000171300000000, -0.0034139700000000 ] - [ -0.0025265300000000, -0.0000109300000000, -0.0022957100000000 ] - [ 0.0033024900000000, 0.0001836400000000, 0.0026219700000000 ] - [ 0.0034470700000000, -0.0001770600000000, 0.0028691000000000 ] - [ 0.0033024900000000, -0.0001836400000000, 0.0026219700000000 ] - [ 0.0034470700000000, 0.0001770600000000, 0.0028691000000000 ] - [ 0.0032513000000000, 0.0000000000000000, 0.0027696400000000 ] - [ 0.0034973100000000, 0.0000000000000000, 0.0030365800000000 ] - [ 0.0013588900000000, 0.0000000000000000, 0.0003765000000000 ] - [ 0.0050799700000000, 0.0000000000000000, 0.0029647900000000 ] - [ 0.0013024500000000, -0.0001060600000000, 0.0003730200000000 ] - [ 0.0013197100000000, 0.0017567800000000, 0.0016332000000000 ] - [ 0.0013024500000000, 0.0001060600000000, 0.0003730200000000 ] - [ 0.0013197100000000, -0.0017567800000000, 0.0016332000000000 ] - [ -0.0024228600000000, -0.0010664100000000, 0.0012595900000000 ] - [ -0.0004221700000000, -0.0000102100000000, -0.0000143800000000 ] - [ -0.0024228600000000, 0.0010664100000000, 0.0012595900000000 ] - [ -0.0004221700000000, 0.0000102100000000, -0.0000143800000000 ] - [ -0.0018496600000000, 0.0000000000000000, -0.0006986400000000 ] - [ -0.0004430400000000, 0.0000000000000000, 0.0000024000000000 ] - [ 0.0106062400000000, 0.0000000000000000, -0.0026561900000000 ] - [ -0.0021999000000000, 0.0000000000000000, 0.0002834500000000 ] - [ 0.0014339100000000, 0.0008248500000000, 0.0019546200000000 ] - [ -0.0020846300000000, -0.0000501800000000, 0.0002069400000000 ] - [ 0.0014339100000000, -0.0008248500000000, 0.0019546200000000 ] - [ -0.0020846300000000, 0.0000501800000000, 0.0002069400000000 ] - [ -0.0001479800000000, 0.0000362900000000, -0.0001567600000000 ] - [ -0.0004004700000000, 0.0008227200000000, -0.0011069000000000 ] - [ -0.0001479800000000, -0.0000362900000000, -0.0001567600000000 ] - [ -0.0004004700000000, -0.0008227200000000, -0.0011069000000000 ] - [ 0.0010310700000000, 0.0000000000000000, -0.0008284000000000 ] - [ 0.0000423400000000, 0.0000000000000000, -0.0006656600000000 ] - [ -0.0020023600000000, 0.0000000000000000, -0.0018266300000000 ] - [ -0.0006523800000000, 0.0000000000000000, -0.0019474800000000 ] - [ -0.0018948300000000, 0.0000487600000000, -0.0018000300000000 ] - [ -0.0009348800000000, -0.0003753100000000, -0.0012831600000000 ] - [ -0.0018948300000000, -0.0000487600000000, -0.0018000300000000 ] - [ -0.0009348800000000, 0.0003753100000000, -0.0012831600000000 ] - [ 0.0078410500000000, 0.0003955000000000, 0.0003663200000000 ] - [ 0.0005294300000000, -0.0000335900000000, 0.0013195800000000 ] - [ 0.0078410500000000, -0.0003955000000000, 0.0003663200000000 ] - [ 0.0005294300000000, 0.0000335900000000, 0.0013195800000000 ] - [ 0.0028696300000000, 0.0000000000000000, 0.0020389000000000 ] - [ 0.0006561800000000, 0.0000000000000000, 0.0012415000000000 ] - [ -0.0007354500000000, 0.0000000000000000, -0.0023842800000000 ] - [ -0.0024812300000000, 0.0000000000000000, -0.0017335300000000 ] - [ -0.0011281900000000, 0.0001041400000000, -0.0017256300000000 ] - [ -0.0024238600000000, -0.0000470700000000, -0.0018102600000000 ] - [ -0.0011281900000000, -0.0001041400000000, -0.0017256300000000 ] - [ -0.0024238600000000, 0.0000470700000000, -0.0018102600000000 ] - [ 0.0146907100000000, 0.0064611900000000, 0.0066555900000000 ] - [ 0.0010619100000000, 0.0001500300000000, 0.0008834500000000 ] - [ 0.0146907100000000, -0.0064611900000000, 0.0066555900000000 ] - [ 0.0010619100000000, -0.0001500300000000, 0.0008834500000000 ] - [ 0.0038222000000000, 0.0000000000000000, 0.0025658200000000 ] - [ 0.0012040100000000, 0.0000000000000000, 0.0009131700000000 ] - [ -0.0031345700000000, 0.0000000000000000, -0.0003960000000000 ] - [ -0.0027483500000000, 0.0000000000000000, 0.0000762800000000 ] - [ -0.0019150800000000, 0.0001508100000000, -0.0004410400000000 ] - [ -0.0008505700000000, -0.0005371700000000, -0.0000883000000000 ] - [ -0.0019150800000000, -0.0001508100000000, -0.0004410400000000 ] - [ -0.0008505700000000, 0.0005371700000000, -0.0000883000000000 ] - [ 0.0026850900000000, 0.0016175600000000, 0.0026713900000000 ] - [ -0.0005333800000000, -0.0000237300000000, 0.0001673500000000 ] - [ 0.0026850900000000, -0.0016175600000000, 0.0026713900000000 ] - [ -0.0005333800000000, 0.0000237300000000, 0.0001673500000000 ] - [ 0.0016723200000000, 0.0000000000000000, 0.0010166000000000 ] - [ -0.0004751300000000, 0.0000000000000000, 0.0002396300000000 ]- atom: 49 displacement: [ -0.0099999949782129, 0.0000000000000000, 0.0000100217621775 ] forces: - [ -0.0004345700000000, 0.0000000000000000, 0.0005218700000000 ] - [ -0.0007866100000000, 0.0000000000000000, -0.0000151300000000 ] - [ 0.0001741500000000, 0.0004545500000000, 0.0007518900000000 ] - [ -0.0004965700000000, -0.0001516900000000, 0.0000588500000000 ] - [ 0.0001741500000000, -0.0004545500000000, 0.0007518900000000 ] - [ -0.0004965700000000, 0.0001516900000000, 0.0000588500000000 ] - [ -0.0038126900000000, -0.0037772400000000, 0.0030881700000000 ] - [ -0.0007417500000000, 0.0000212500000000, -0.0003668100000000 ] - [ -0.0038126900000000, 0.0037772400000000, 0.0030881700000000 ] - [ -0.0007417500000000, -0.0000212500000000, -0.0003668100000000 ] - [ 0.0006616100000000, 0.0000000000000000, -0.0000874900000000 ] - [ -0.0006142800000000, 0.0000000000000000, -0.0003332400000000 ] - [ 0.0004517000000000, 0.0000000000000000, 0.0027624700000000 ] - [ -0.0012292100000000, 0.0000000000000000, -0.0005022600000000 ] - [ -0.0002153300000000, -0.0002628600000000, 0.0004447700000000 ] - [ -0.0012125900000000, 0.0000023300000000, -0.0005077100000000 ] - [ -0.0002153300000000, 0.0002628600000000, 0.0004447700000000 ] - [ -0.0012125900000000, -0.0000023300000000, -0.0005077100000000 ] - [ 0.0002994700000000, -0.0001128400000000, 0.0002014700000000 ] - [ -0.0003134600000000, 0.0002913500000000, 0.0005948800000000 ] - [ 0.0002994700000000, 0.0001128400000000, 0.0002014700000000 ] - [ -0.0003134600000000, -0.0002913500000000, 0.0005948800000000 ] - [ 0.0004994000000000, 0.0000000000000000, 0.0003189700000000 ] - [ 0.0006680600000000, 0.0000000000000000, 0.0002725500000000 ] - [ -0.0062444100000000, 0.0000000000000000, -0.0036840200000000 ] - [ -0.0026063900000000, 0.0000000000000000, 0.0003599700000000 ] - [ -0.0037128800000000, 0.0030357400000000, -0.0012741200000000 ] - [ -0.0020151800000000, -0.0000890700000000, 0.0002027000000000 ] - [ -0.0037128800000000, -0.0030357400000000, -0.0012741200000000 ] - [ -0.0020151800000000, 0.0000890700000000, 0.0002027000000000 ] - [ 0.0034003100000000, -0.0001574100000000, -0.0009614800000000 ] - [ 0.0007114900000000, 0.0000221200000000, -0.0005809200000000 ] - [ 0.0034003100000000, 0.0001574100000000, -0.0009614800000000 ] - [ 0.0007114900000000, -0.0000221200000000, -0.0005809200000000 ] - [ 0.0026397500000000, 0.0000000000000000, -0.0002727600000000 ] - [ 0.0007611800000000, 0.0000000000000000, -0.0006134900000000 ] - [ -0.0128847600000000, 0.0000000000000000, 0.0098819900000000 ] - [ -0.0023075400000000, 0.0000000000000000, -0.0024117400000000 ] - [ -0.0012987800000000, -0.0007728200000000, -0.0014621100000000 ] - [ -0.0020556500000000, 0.0000446600000000, -0.0023367300000000 ] - [ -0.0012987800000000, 0.0007728200000000, -0.0014621100000000 ] - [ -0.0020556500000000, -0.0000446600000000, -0.0023367300000000 ] - [ 0.0009307700000000, -0.0002177900000000, 0.0018221900000000 ] - [ 0.0016699300000000, 0.0006930000000000, 0.0028338300000000 ] - [ 0.0009307700000000, 0.0002177900000000, 0.0018221900000000 ] - [ 0.0016699300000000, -0.0006930000000000, 0.0028338300000000 ] - [ 0.0009796700000000, 0.0000000000000000, 0.0018591600000000 ] - [ 0.0017937100000000, 0.0000000000000000, 0.0024718600000000 ] - [ 0.0739072600000000, 0.0000000000000000, -0.0007439700000000 ] - [ -0.0037524700000000, 0.0000000000000000, -0.0027405700000000 ] - [ -0.0005489900000000, -0.0000613700000000, -0.0016227200000000 ] - [ -0.0037174200000000, -0.0000324200000000, -0.0027365300000000 ] - [ -0.0005489900000000, 0.0000613700000000, -0.0016227200000000 ] - [ -0.0037174200000000, 0.0000324200000000, -0.0027365300000000 ] - [ 0.0029473500000000, -0.0002056700000000, 0.0024131300000000 ] - [ 0.0027971300000000, 0.0001551900000000, 0.0021641300000000 ] - [ 0.0029473500000000, 0.0002056700000000, 0.0024131300000000 ] - [ 0.0027971300000000, -0.0001551900000000, 0.0021641300000000 ] - [ 0.0029862700000000, 0.0000000000000000, 0.0022809500000000 ] - [ 0.0027340600000000, 0.0000000000000000, 0.0020121300000000 ] - [ 0.0004765300000000, 0.0000000000000000, 0.0001002800000000 ] - [ -0.0031889500000000, 0.0000000000000000, -0.0024563200000000 ] - [ 0.0005307200000000, 0.0000899000000000, 0.0001233200000000 ] - [ 0.0005140700000000, -0.0017571300000000, -0.0011247700000000 ] - [ 0.0005307200000000, -0.0000899000000000, 0.0001233200000000 ] - [ 0.0005140700000000, 0.0017571300000000, -0.0011247700000000 ] - [ 0.0005771900000000, 0.0010655100000000, -0.0017791000000000 ] - [ -0.0014076900000000, -0.0000058600000000, -0.0004795500000000 ] - [ 0.0005771900000000, -0.0010655100000000, -0.0017791000000000 ] - [ -0.0014076900000000, 0.0000058600000000, -0.0004795500000000 ] - [ 0.0000115100000000, 0.0000000000000000, 0.0002198000000000 ] - [ -0.0013892600000000, 0.0000000000000000, -0.0004773100000000 ] - [ -0.0130811800000000, 0.0000000000000000, 0.0040967400000000 ] - [ -0.0001415300000000, 0.0000000000000000, 0.0008641400000000 ] - [ -0.0037563800000000, -0.0008080400000000, -0.0008018700000000 ] - [ -0.0002374600000000, 0.0000652100000000, 0.0009387600000000 ] - [ -0.0037563800000000, 0.0008080400000000, -0.0008018700000000 ] - [ -0.0002374600000000, -0.0000652100000000, 0.0009387600000000 ] - [ 0.0024636800000000, -0.0000228300000000, -0.0009903200000000 ] - [ 0.0027137800000000, -0.0008013600000000, -0.0000399000000000 ] - [ 0.0024636800000000, 0.0000228300000000, -0.0009903200000000 ] - [ 0.0027137800000000, 0.0008013600000000, -0.0000399000000000 ] - [ 0.0013057000000000, 0.0000000000000000, -0.0003202500000000 ] - [ 0.0022912300000000, 0.0000000000000000, -0.0004811900000000 ] - [ -0.0007254300000000, 0.0000000000000000, -0.0009533600000000 ] - [ -0.0020656900000000, 0.0000000000000000, -0.0008268300000000 ] - [ -0.0008355200000000, -0.0000341300000000, -0.0009918200000000 ] - [ -0.0017842700000000, 0.0003934200000000, -0.0015052600000000 ] - [ -0.0008355200000000, 0.0000341300000000, -0.0009918200000000 ] - [ -0.0017842700000000, -0.0003934200000000, -0.0015052600000000 ] - [ -0.0047455100000000, -0.0006993800000000, 0.0024777000000000 ] - [ 0.0021962600000000, 0.0000492700000000, 0.0014710500000000 ] - [ -0.0047455100000000, 0.0006993800000000, 0.0024777000000000 ] - [ 0.0021962600000000, -0.0000492700000000, 0.0014710500000000 ] - [ -0.0001271200000000, 0.0000000000000000, 0.0007485500000000 ] - [ 0.0020672500000000, 0.0000000000000000, 0.0015380200000000 ] - [ -0.0029538400000000, 0.0000000000000000, -0.0001631200000000 ] - [ -0.0011967200000000, 0.0000000000000000, -0.0008151900000000 ] - [ -0.0025470400000000, -0.0000906400000000, -0.0008386800000000 ] - [ -0.0012488300000000, 0.0000544100000000, -0.0007473200000000 ] - [ -0.0025470400000000, 0.0000906400000000, -0.0008386800000000 ] - [ -0.0012488300000000, -0.0000544100000000, -0.0007473200000000 ] - [ -0.0112180300000000, -0.0068516300000000, -0.0043418900000000 ] - [ 0.0026076300000000, -0.0001421700000000, 0.0016714200000000 ] - [ -0.0112180300000000, 0.0068516300000000, -0.0043418900000000 ] - [ 0.0026076300000000, 0.0001421700000000, 0.0016714200000000 ] - [ -0.0001498100000000, 0.0000000000000000, -0.0000209300000000 ] - [ 0.0024712200000000, 0.0000000000000000, 0.0016331000000000 ] - [ 0.0021350200000000, 0.0000000000000000, -0.0005229600000000 ] - [ 0.0017487400000000, 0.0000000000000000, -0.0009936800000000 ] - [ 0.0009056300000000, -0.0001322200000000, -0.0004709300000000 ] - [ -0.0001540400000000, 0.0005533700000000, -0.0008224400000000 ] - [ 0.0009056300000000, 0.0001322200000000, -0.0004709300000000 ] - [ -0.0001540400000000, -0.0005533700000000, -0.0008224400000000 ] - [ -0.0016603700000000, -0.0015915000000000, -0.0017598800000000 ] - [ 0.0015365700000000, 0.0000432100000000, 0.0007429000000000 ] - [ -0.0016603700000000, 0.0015915000000000, -0.0017598800000000 ] - [ 0.0015365700000000, -0.0000432100000000, 0.0007429000000000 ] - [ -0.0006649600000000, 0.0000000000000000, -0.0000990300000000 ] - [ 0.0014755000000000, 0.0000000000000000, 0.0006757500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001145000000000, -0.0007195200000000, 0.0002994600000000 ] - [ 0.0000997700000000, -0.0001810300000000, 0.0003032500000000 ] - [ -0.0002597600000000, 0.0005925400000000, 0.0004777500000000 ] - [ 0.0001820600000000, 0.0000784700000000, 0.0003211800000000 ] - [ 0.0004568400000000, 0.0006182400000000, 0.0001181200000000 ] - [ 0.0000122100000000, 0.0001020700000000, 0.0002785600000000 ] - [ 0.0051279300000000, 0.0016694900000000, -0.0040226800000000 ] - [ -0.0001894600000000, -0.0000253800000000, -0.0003469300000000 ] - [ -0.0053554500000000, 0.0016736300000000, 0.0034466800000000 ] - [ -0.0000051500000000, -0.0000026000000000, -0.0002525000000000 ] - [ -0.0001019900000000, 0.0011815500000000, -0.0002998600000000 ] - [ -0.0001006000000000, 0.0000385800000000, -0.0003031100000000 ] - [ -0.0007955600000000, -0.0002680200000000, -0.0001896300000000 ] - [ -0.0007931100000000, -0.0000732300000000, -0.0001704000000000 ] - [ -0.0009341700000000, 0.0003142300000000, 0.0002700500000000 ] - [ -0.0007680400000000, 0.0000264600000000, -0.0001519200000000 ] - [ -0.0006559000000000, 0.0003503000000000, -0.0006393400000000 ] - [ -0.0008242700000000, 0.0000585100000000, -0.0002137300000000 ] - [ 0.0010755100000000, -0.0001991000000000, 0.0004388000000000 ] - [ -0.0003184600000000, -0.0004304600000000, 0.0007547200000000 ] - [ 0.0005169200000000, -0.0001688500000000, -0.0000731400000000 ] - [ 0.0019179500000000, -0.0004036100000000, -0.0003957200000000 ] - [ 0.0007920400000000, 0.0003122800000000, 0.0001709400000000 ] - [ 0.0007939000000000, 0.0003899500000000, 0.0001696300000000 ] - [ -0.0014864800000000, -0.0027666100000000, 0.0003804000000000 ] - [ -0.0014989500000000, -0.0001471100000000, 0.0003706800000000 ] - [ -0.0043426700000000, 0.0052445900000000, -0.0019056000000000 ] - [ -0.0013514300000000, 0.0000501600000000, 0.0003415900000000 ] - [ 0.0013390900000000, 0.0052628900000000, 0.0026357600000000 ] - [ -0.0016418600000000, 0.0000889300000000, 0.0003953500000000 ] - [ 0.0013282000000000, -0.0001544400000000, 0.0018650400000000 ] - [ 0.0015114500000000, -0.0000567400000000, -0.0003655700000000 ] - [ 0.0016692100000000, -0.0001217300000000, -0.0026095400000000 ] - [ 0.0014809800000000, -0.0000188000000000, -0.0003724000000000 ] - [ 0.0014987800000000, 0.0007758800000000, -0.0003723500000000 ] - [ 0.0014966800000000, 0.0000618800000000, -0.0003709500000000 ] - [ -0.0016078800000000, -0.0035099100000000, -0.0021950900000000 ] - [ -0.0015772600000000, -0.0001550200000000, -0.0022184400000000 ] - [ -0.0012874100000000, 0.0006520100000000, -0.0030051300000000 ] - [ -0.0017797000000000, 0.0000901500000000, -0.0022466000000000 ] - [ -0.0018691700000000, 0.0006777400000000, -0.0014326100000000 ] - [ -0.0013782800000000, 0.0001142100000000, -0.0021826000000000 ] - [ 0.0017112800000000, -0.0001842100000000, 0.0022796000000000 ] - [ 0.0014595900000000, -0.0004152300000000, 0.0017667400000000 ] - [ 0.0014453800000000, -0.0001620800000000, 0.0021485600000000 ] - [ 0.0016947400000000, -0.0003983600000000, 0.0026626400000000 ] - [ 0.0015768100000000, 0.0004003500000000, 0.0022179800000000 ] - [ 0.0015781300000000, 0.0005526200000000, 0.0022178200000000 ] - [ -0.0029009700000000, -0.0666419600000000, -0.0022365400000000 ] - [ -0.0031276300000000, -0.0000527900000000, -0.0025241500000000 ] - [ -0.0031715200000000, 0.0075465600000000, -0.0020747000000000 ] - [ -0.0031558500000000, 0.0000168500000000, -0.0025133200000000 ] - [ -0.0030936700000000, 0.0075005800000000, -0.0029531400000000 ] - [ -0.0031126000000000, 0.0000388000000000, -0.0025216600000000 ] - [ 0.0033288600000000, -0.0002311800000000, 0.0024026800000000 ] - [ 0.0029663500000000, -0.0001904100000000, 0.0023790300000000 ] - [ 0.0029399500000000, -0.0002119000000000, 0.0026323100000000 ] - [ 0.0032988400000000, -0.0001693300000000, 0.0026558800000000 ] - [ 0.0031276400000000, 0.0006465500000000, 0.0025236000000000 ] - [ 0.0031268300000000, 0.0005577000000000, 0.0025237900000000 ] - [ 0.0009230400000000, -0.0003147200000000, 0.0002404000000000 ] - [ 0.0009148300000000, -0.0017801600000000, 0.0002386300000000 ] - [ 0.0008388200000000, 0.0001529500000000, 0.0002432800000000 ] - [ 0.0017154700000000, 0.0016580000000000, 0.0014103200000000 ] - [ 0.0010041300000000, 0.0001700000000000, 0.0002564600000000 ] - [ 0.0001292200000000, 0.0016739700000000, -0.0009048700000000 ] - [ -0.0028771900000000, 0.0022923200000000, -0.0058425800000000 ] - [ -0.0009137300000000, -0.0000407400000000, -0.0002635200000000 ] - [ 0.0010377200000000, 0.0023009200000000, 0.0053649600000000 ] - [ -0.0009293000000000, -0.0000247800000000, -0.0002364500000000 ] - [ -0.0009224500000000, 0.0010301300000000, -0.0002391900000000 ] - [ -0.0009226900000000, 0.0000649700000000, -0.0002404200000000 ] - [ -0.0011668600000000, 0.0070000000000000, 0.0005585100000000 ] - [ -0.0011743800000000, 0.0000992900000000, 0.0005678100000000 ] - [ -0.0011020900000000, -0.0016565400000000, -0.0006027500000000 ] - [ -0.0011963800000000, -0.0000459800000000, 0.0005601000000000 ] - [ -0.0012309200000000, -0.0016869900000000, 0.0017328200000000 ] - [ -0.0011334600000000, -0.0000614900000000, 0.0005746300000000 ] - [ -0.0003451200000000, 0.0006156800000000, 0.0002354800000000 ] - [ 0.0014243100000000, 0.0003739200000000, -0.0003229700000000 ] - [ 0.0026714900000000, 0.0006069400000000, -0.0013753500000000 ] - [ 0.0009087100000000, 0.0003622600000000, -0.0008121100000000 ] - [ 0.0011749200000000, -0.0007431200000000, -0.0005691100000000 ] - [ 0.0011745800000000, -0.0007266300000000, -0.0005679100000000 ] - [ -0.0013666400000000, 0.0002920200000000, -0.0013945600000000 ] - [ -0.0013613100000000, 0.0023840300000000, -0.0013920100000000 ] - [ -0.0012652800000000, -0.0001380100000000, -0.0013505500000000 ] - [ -0.0018884900000000, -0.0009696400000000, -0.0018942600000000 ] - [ -0.0014689600000000, -0.0001542900000000, -0.0014492400000000 ] - [ -0.0008388500000000, -0.0009950500000000, -0.0009012800000000 ] - [ 0.0015998400000000, 0.0059385300000000, 0.0025170600000000 ] - [ 0.0012104600000000, 0.0000723900000000, 0.0014823000000000 ] - [ 0.0014330300000000, 0.0061865300000000, 0.0003329600000000 ] - [ 0.0015246200000000, 0.0000575500000000, 0.0013180200000000 ] - [ 0.0013563200000000, -0.0029179600000000, 0.0013941800000000 ] - [ 0.0013670600000000, -0.0001431100000000, 0.0013943100000000 ] - [ -0.0018358000000000, 0.0016551100000000, -0.0012713300000000 ] - [ -0.0018350000000000, 0.0002355700000000, -0.0012741400000000 ] - [ -0.0017671900000000, -0.0008849300000000, -0.0002328000000000 ] - [ -0.0018962200000000, -0.0001123600000000, -0.0012886400000000 ] - [ -0.0019018200000000, -0.0008943000000000, -0.0023178500000000 ] - [ -0.0017694400000000, -0.0001208000000000, -0.0012681000000000 ] - [ 0.0086623200000000, 0.0123034700000000, 0.0043951100000000 ] - [ 0.0018909200000000, 0.0000708100000000, 0.0012589700000000 ] - [ -0.0054928800000000, 0.0128043700000000, -0.0022157200000000 ] - [ 0.0017763500000000, 0.0000646900000000, 0.0012995300000000 ] - [ 0.0018406400000000, -0.0058996300000000, 0.0012758500000000 ] - [ 0.0018362000000000, -0.0001376900000000, 0.0012744100000000 ] - [ -0.0005036100000000, 0.0005694600000000, -0.0004601700000000 ] - [ -0.0004942300000000, 0.0009091400000000, -0.0004581500000000 ] - [ 0.0009118400000000, -0.0002541500000000, -0.0004774600000000 ] - [ -0.0008887500000000, -0.0004310200000000, -0.0002994300000000 ] - [ -0.0019088600000000, -0.0002751800000000, -0.0004392600000000 ] - [ -0.0001171000000000, -0.0004524500000000, -0.0006133500000000 ] - [ 0.0012685500000000, 0.0008249200000000, 0.0005052000000000 ] - [ 0.0004131900000000, 0.0000800500000000, 0.0004279800000000 ] - [ -0.0002708900000000, 0.0008278700000000, 0.0004139800000000 ] - [ 0.0005924900000000, 0.0000614200000000, 0.0004882200000000 ] - [ 0.0004994700000000, -0.0013590100000000, 0.0004641700000000 ] - [ 0.0005021700000000, -0.0001436800000000, 0.0004606500000000 ]- atom: 49 displacement: [ -0.0032316847127924, 0.0000000000000000, 0.0094634144956831 ] forces: - [ -0.0030253000000000, 0.0000000000000000, 0.0014426400000000 ] - [ 0.0001910600000000, 0.0000000000000000, 0.0003390100000000 ] - [ -0.0000199300000000, 0.0001151500000000, 0.0008517200000000 ] - [ 0.0001954300000000, -0.0000069800000000, 0.0002925300000000 ] - [ -0.0000199300000000, -0.0001151500000000, 0.0008517200000000 ] - [ 0.0001954300000000, 0.0000069800000000, 0.0002925300000000 ] - [ -0.0026271000000000, -0.0025605800000000, -0.0010726000000000 ] - [ -0.0000660800000000, -0.0000067200000000, -0.0003310700000000 ] - [ -0.0026271000000000, 0.0025605800000000, -0.0010726000000000 ] - [ -0.0000660800000000, 0.0000067200000000, -0.0003310700000000 ] - [ -0.0001451200000000, 0.0000000000000000, -0.0005876100000000 ] - [ -0.0000698400000000, 0.0000000000000000, -0.0003157200000000 ] - [ -0.0002734400000000, 0.0000000000000000, 0.0032357900000000 ] - [ -0.0007500200000000, 0.0000000000000000, -0.0001472100000000 ] - [ -0.0011947600000000, -0.0000455500000000, 0.0004279700000000 ] - [ -0.0007593700000000, -0.0000192200000000, -0.0001555100000000 ] - [ -0.0011947600000000, 0.0000455500000000, 0.0004279700000000 ] - [ -0.0007593700000000, 0.0000192200000000, -0.0001555100000000 ] - [ 0.0007622900000000, 0.0000274800000000, -0.0001221700000000 ] - [ 0.0008541400000000, 0.0002216500000000, -0.0000879700000000 ] - [ 0.0007622900000000, -0.0000274800000000, -0.0001221700000000 ] - [ 0.0008541400000000, -0.0002216500000000, -0.0000879700000000 ] - [ 0.0008397500000000, 0.0000000000000000, 0.0000853100000000 ] - [ 0.0008011100000000, 0.0000000000000000, 0.0001636800000000 ] - [ 0.0003329200000000, 0.0000000000000000, 0.0008687500000000 ] - [ -0.0020388900000000, 0.0000000000000000, 0.0005254600000000 ] - [ -0.0009371400000000, -0.0008371100000000, 0.0009437600000000 ] - [ -0.0015056000000000, -0.0000318900000000, 0.0004118100000000 ] - [ -0.0009371400000000, 0.0008371100000000, 0.0009437600000000 ] - [ -0.0015056000000000, 0.0000318900000000, 0.0004118100000000 ] - [ 0.0016173900000000, 0.0008572600000000, 0.0015102900000000 ] - [ 0.0015861400000000, 0.0000277000000000, -0.0002740500000000 ] - [ 0.0016173900000000, -0.0008572600000000, 0.0015102900000000 ] - [ 0.0015861400000000, -0.0000277000000000, -0.0002740500000000 ] - [ 0.0012884000000000, 0.0000000000000000, -0.0003278400000000 ] - [ 0.0016070800000000, 0.0000000000000000, -0.0002985400000000 ] - [ -0.0144167900000000, 0.0000000000000000, 0.0074034000000000 ] - [ -0.0014881900000000, 0.0000000000000000, -0.0022732500000000 ] - [ -0.0017042200000000, -0.0002089400000000, -0.0021445700000000 ] - [ -0.0015283700000000, 0.0000024900000000, -0.0022308000000000 ] - [ -0.0017042200000000, 0.0002089400000000, -0.0021445700000000 ] - [ -0.0015283700000000, -0.0000024900000000, -0.0022308000000000 ] - [ 0.0016812600000000, 0.0000352600000000, 0.0022709000000000 ] - [ 0.0013732300000000, 0.0004485000000000, 0.0030899900000000 ] - [ 0.0016812600000000, -0.0000352600000000, 0.0022709000000000 ] - [ 0.0013732300000000, -0.0004485000000000, 0.0030899900000000 ] - [ 0.0016727400000000, 0.0000000000000000, 0.0022381700000000 ] - [ 0.0014913100000000, 0.0000000000000000, 0.0025546300000000 ] - [ 0.0204062100000000, 0.0000000000000000, -0.0561972400000000 ] - [ -0.0031271500000000, 0.0000000000000000, -0.0025443600000000 ] - [ -0.0031453000000000, -0.0004453500000000, -0.0031506000000000 ] - [ -0.0031171300000000, -0.0000218000000000, -0.0025289200000000 ] - [ -0.0031453000000000, 0.0004453500000000, -0.0031506000000000 ] - [ -0.0031171300000000, 0.0000218000000000, -0.0025289200000000 ] - [ 0.0031730300000000, -0.0001843100000000, 0.0028695000000000 ] - [ 0.0033612900000000, -0.0000876100000000, 0.0027561000000000 ] - [ 0.0031730300000000, 0.0001843100000000, 0.0028695000000000 ] - [ 0.0033612900000000, 0.0000876100000000, 0.0027561000000000 ] - [ 0.0033145300000000, 0.0000000000000000, 0.0028151600000000 ] - [ 0.0034886600000000, 0.0000000000000000, 0.0025564700000000 ] - [ 0.0007654100000000, 0.0000000000000000, 0.0001523100000000 ] - [ 0.0016718900000000, 0.0000000000000000, 0.0003823100000000 ] - [ 0.0008891800000000, 0.0000643800000000, 0.0002829900000000 ] - [ 0.0008472800000000, -0.0002719400000000, -0.0001527400000000 ] - [ 0.0008891800000000, -0.0000643800000000, 0.0002829900000000 ] - [ 0.0008472800000000, 0.0002719400000000, -0.0001527400000000 ] - [ 0.0017607900000000, -0.0046733200000000, 0.0050904100000000 ] - [ -0.0008989600000000, -0.0000230600000000, -0.0002095500000000 ] - [ 0.0017607900000000, 0.0046733200000000, 0.0050904100000000 ] - [ -0.0008989600000000, 0.0000230600000000, -0.0002095500000000 ] - [ -0.0009932200000000, 0.0000000000000000, -0.0003857200000000 ] - [ -0.0008952200000000, 0.0000000000000000, -0.0002069400000000 ] - [ -0.0107739500000000, 0.0000000000000000, 0.0173327200000000 ] - [ -0.0012522100000000, 0.0000000000000000, 0.0005686500000000 ] - [ -0.0009454200000000, -0.0009049100000000, 0.0005871400000000 ] - [ -0.0012502000000000, 0.0000088100000000, 0.0005575300000000 ] - [ -0.0009454200000000, 0.0009049100000000, 0.0005871400000000 ] - [ -0.0012502000000000, -0.0000088100000000, 0.0005575300000000 ] - [ 0.0019613600000000, 0.0004504200000000, -0.0005695500000000 ] - [ 0.0009293000000000, 0.0001755800000000, -0.0004518600000000 ] - [ 0.0019613600000000, -0.0004504200000000, -0.0005695500000000 ] - [ 0.0009293000000000, -0.0001755800000000, -0.0004518600000000 ] - [ 0.0013319500000000, 0.0000000000000000, -0.0005891800000000 ] - [ 0.0011620600000000, 0.0000000000000000, -0.0004832400000000 ] - [ -0.0014195200000000, 0.0000000000000000, -0.0015146800000000 ] - [ -0.0021945400000000, 0.0000000000000000, -0.0023439500000000 ] - [ -0.0014600100000000, -0.0000333300000000, -0.0014622700000000 ] - [ -0.0019050300000000, -0.0007043600000000, -0.0018888100000000 ] - [ -0.0014600100000000, 0.0000333300000000, -0.0014622700000000 ] - [ -0.0019050300000000, 0.0007043600000000, -0.0018888100000000 ] - [ -0.0003514300000000, 0.0011683700000000, 0.0045070100000000 ] - [ 0.0014009700000000, 0.0000600000000000, 0.0014218700000000 ] - [ -0.0003514300000000, -0.0011683700000000, 0.0045070100000000 ] - [ 0.0014009700000000, -0.0000600000000000, 0.0014218700000000 ] - [ 0.0014690300000000, 0.0000000000000000, 0.0015931200000000 ] - [ 0.0013402000000000, 0.0000000000000000, 0.0014082100000000 ] - [ -0.0021135800000000, 0.0000000000000000, -0.0032033100000000 ] - [ -0.0019134600000000, 0.0000000000000000, -0.0015874800000000 ] - [ -0.0022090300000000, 0.0006809100000000, -0.0022282600000000 ] - [ -0.0019787700000000, 0.0000071700000000, -0.0014564500000000 ] - [ -0.0022090300000000, -0.0006809100000000, -0.0022282600000000 ] - [ -0.0019787700000000, -0.0000071700000000, -0.0014564500000000 ] - [ 0.0027905800000000, 0.0013490200000000, 0.0052934300000000 ] - [ 0.0018828600000000, -0.0001170400000000, 0.0013258300000000 ] - [ 0.0027905800000000, -0.0013490200000000, 0.0052934300000000 ] - [ 0.0018828600000000, 0.0001170400000000, 0.0013258300000000 ] - [ 0.0019650600000000, 0.0000000000000000, 0.0016928900000000 ] - [ 0.0018157300000000, 0.0000000000000000, 0.0012304400000000 ] - [ -0.0012431600000000, 0.0000000000000000, -0.0001273100000000 ] - [ 0.0008404900000000, 0.0000000000000000, -0.0004494700000000 ] - [ -0.0008920500000000, -0.0000669600000000, -0.0002909400000000 ] - [ -0.0003924000000000, 0.0001243300000000, -0.0005446200000000 ] - [ -0.0008920500000000, 0.0000669600000000, -0.0002909400000000 ] - [ -0.0003924000000000, -0.0001243300000000, -0.0005446200000000 ] - [ 0.0009946600000000, -0.0009728200000000, -0.0013883900000000 ] - [ 0.0003933800000000, 0.0000134300000000, 0.0004692400000000 ] - [ 0.0009946600000000, 0.0009728200000000, -0.0013883900000000 ] - [ 0.0003933800000000, -0.0000134300000000, 0.0004692400000000 ] - [ 0.0008302700000000, 0.0000000000000000, 0.0000848400000000 ] - [ 0.0003752100000000, 0.0000000000000000, 0.0004725100000000 ]- atom: 49 displacement: [ 0.0032316847127924, 0.0000000000000000, -0.0094634144956831 ] forces: - [ 0.0031833400000000, 0.0000000000000000, -0.0008209200000000 ] - [ 0.0000164300000000, 0.0000000000000000, 0.0002663100000000 ] - [ 0.0002225100000000, -0.0001352300000000, -0.0002504300000000 ] - [ 0.0000055100000000, -0.0000163900000000, 0.0003064400000000 ] - [ 0.0002225100000000, 0.0001352300000000, -0.0002504300000000 ] - [ 0.0000055100000000, 0.0000163900000000, 0.0003064400000000 ] - [ 0.0024094900000000, 0.0025146700000000, 0.0004685300000000 ] - [ -0.0001386100000000, -0.0000162000000000, -0.0002698900000000 ] - [ 0.0024094900000000, -0.0025146700000000, 0.0004685300000000 ] - [ -0.0001386100000000, 0.0000162000000000, -0.0002698900000000 ] - [ -0.0000604300000000, 0.0000000000000000, -0.0000221300000000 ] - [ -0.0001415200000000, 0.0000000000000000, -0.0002916100000000 ] - [ -0.0012972800000000, 0.0000000000000000, -0.0035443500000000 ] - [ -0.0008342100000000, 0.0000000000000000, -0.0001980300000000 ] - [ -0.0003943800000000, 0.0000139400000000, -0.0007951700000000 ] - [ -0.0008311300000000, -0.0000124300000000, -0.0002145600000000 ] - [ -0.0003943800000000, -0.0000139400000000, -0.0007951700000000 ] - [ -0.0008311300000000, 0.0000124300000000, -0.0002145600000000 ] - [ 0.0008272500000000, -0.0000595800000000, 0.0004886400000000 ] - [ 0.0007266200000000, -0.0002518700000000, 0.0004593400000000 ] - [ 0.0008272500000000, 0.0000595800000000, 0.0004886400000000 ] - [ 0.0007266200000000, 0.0002518700000000, 0.0004593400000000 ] - [ 0.0007434400000000, 0.0000000000000000, 0.0002584200000000 ] - [ 0.0007807200000000, 0.0000000000000000, 0.0001827000000000 ] - [ -0.0033246400000000, 0.0000000000000000, -0.0001254400000000 ] - [ -0.0009627600000000, 0.0000000000000000, 0.0002144700000000 ] - [ -0.0020536900000000, 0.0007883700000000, -0.0001942300000000 ] - [ -0.0014927500000000, -0.0000067100000000, 0.0003249500000000 ] - [ -0.0020536900000000, -0.0007883700000000, -0.0001942300000000 ] - [ -0.0014927500000000, 0.0000067100000000, 0.0003249500000000 ] - [ 0.0013810600000000, -0.0009067100000000, -0.0022561300000000 ] - [ 0.0014094300000000, -0.0000662800000000, -0.0004633700000000 ] - [ 0.0013810600000000, 0.0009067100000000, -0.0022561300000000 ] - [ 0.0014094300000000, 0.0000662800000000, -0.0004633700000000 ] - [ 0.0017114500000000, 0.0000000000000000, -0.0004103900000000 ] - [ 0.0013897000000000, 0.0000000000000000, -0.0004424500000000 ] - [ 0.0114178200000000, 0.0000000000000000, -0.0119306300000000 ] - [ -0.0016717400000000, 0.0000000000000000, -0.0021643800000000 ] - [ -0.0014573300000000, 0.0001801600000000, -0.0022778800000000 ] - [ -0.0016334100000000, -0.0000257300000000, -0.0021985600000000 ] - [ -0.0014573300000000, -0.0001801600000000, -0.0022778800000000 ] - [ -0.0016334100000000, 0.0000257300000000, -0.0021985600000000 ] - [ 0.0014790900000000, -0.0000592700000000, 0.0021574400000000 ] - [ 0.0017897300000000, -0.0004748300000000, 0.0013422300000000 ] - [ 0.0014790900000000, 0.0000592700000000, 0.0021574400000000 ] - [ 0.0017897300000000, 0.0004748300000000, 0.0013422300000000 ] - [ 0.0014866200000000, 0.0000000000000000, 0.0021984100000000 ] - [ 0.0016674200000000, 0.0000000000000000, 0.0018858400000000 ] - [ -0.0261891200000000, 0.0000000000000000, 0.0499725100000000 ] - [ -0.0031243900000000, 0.0000000000000000, -0.0025082900000000 ] - [ -0.0031109100000000, 0.0004111900000000, -0.0018875600000000 ] - [ -0.0031469100000000, 0.0000001200000000, -0.0025099900000000 ] - [ -0.0031109100000000, -0.0004111900000000, -0.0018875600000000 ] - [ -0.0031469100000000, -0.0000001200000000, -0.0025099900000000 ] - [ 0.0030867200000000, 0.0001586900000000, 0.0021699500000000 ] - [ 0.0029009300000000, 0.0000672500000000, 0.0022800500000000 ] - [ 0.0030867200000000, -0.0001586900000000, 0.0021699500000000 ] - [ 0.0029009300000000, -0.0000672500000000, 0.0022800500000000 ] - [ 0.0029347100000000, 0.0000000000000000, 0.0022373300000000 ] - [ 0.0027628400000000, 0.0000000000000000, 0.0024933300000000 ] - [ 0.0010772600000000, 0.0000000000000000, 0.0003274500000000 ] - [ 0.0001614600000000, 0.0000000000000000, 0.0000858400000000 ] - [ 0.0009533500000000, -0.0000797600000000, 0.0002173100000000 ] - [ 0.0009918500000000, 0.0002463800000000, 0.0006454500000000 ] - [ 0.0009533500000000, 0.0000797600000000, 0.0002173100000000 ] - [ 0.0009918500000000, -0.0002463800000000, 0.0006454500000000 ] - [ -0.0035743500000000, 0.0046058900000000, -0.0055367200000000 ] - [ -0.0009471900000000, 0.0000066400000000, -0.0002919100000000 ] - [ -0.0035743500000000, -0.0046058900000000, -0.0055367200000000 ] - [ -0.0009471900000000, -0.0000066400000000, -0.0002919100000000 ] - [ -0.0008520700000000, 0.0000000000000000, -0.0000974600000000 ] - [ -0.0009529600000000, 0.0000000000000000, -0.0002754000000000 ] - [ 0.0077675900000000, 0.0000000000000000, -0.0152313600000000 ] - [ -0.0010891800000000, 0.0000000000000000, 0.0005676100000000 ] - [ -0.0013904500000000, 0.0009174700000000, 0.0005488200000000 ] - [ -0.0010723500000000, 0.0000065700000000, 0.0005776500000000 ] - [ -0.0013904500000000, -0.0009174700000000, 0.0005488200000000 ] - [ -0.0010723500000000, -0.0000065700000000, 0.0005776500000000 ] - [ 0.0003709200000000, -0.0004271100000000, -0.0005587700000000 ] - [ 0.0014018800000000, -0.0001621600000000, -0.0006787600000000 ] - [ 0.0003709200000000, 0.0004271100000000, -0.0005587700000000 ] - [ 0.0014018800000000, 0.0001621600000000, -0.0006787600000000 ] - [ 0.0010134800000000, 0.0000000000000000, -0.0005451200000000 ] - [ 0.0011875800000000, 0.0000000000000000, -0.0006511100000000 ] - [ -0.0013087100000000, 0.0000000000000000, -0.0012764400000000 ] - [ -0.0005412400000000, 0.0000000000000000, -0.0004320600000000 ] - [ -0.0012708600000000, 0.0000476400000000, -0.0013396900000000 ] - [ -0.0008294800000000, 0.0007211700000000, -0.0009078800000000 ] - [ -0.0012708600000000, -0.0000476400000000, -0.0013396900000000 ] - [ -0.0008294800000000, -0.0007211700000000, -0.0009078800000000 ] - [ 0.0030812400000000, -0.0011667900000000, -0.0016702800000000 ] - [ 0.0013346500000000, -0.0000436400000000, 0.0013811900000000 ] - [ 0.0030812400000000, 0.0011667900000000, -0.0016702800000000 ] - [ 0.0013346500000000, 0.0000436400000000, 0.0013811900000000 ] - [ 0.0012616300000000, 0.0000000000000000, 0.0011965700000000 ] - [ 0.0013927800000000, 0.0000000000000000, 0.0013837600000000 ] - [ -0.0015586600000000, 0.0000000000000000, 0.0006284100000000 ] - [ -0.0017627300000000, 0.0000000000000000, -0.0009678600000000 ] - [ -0.0014601900000000, -0.0006770700000000, -0.0003443300000000 ] - [ -0.0016915200000000, 0.0000005000000000, -0.0011084100000000 ] - [ -0.0014601900000000, 0.0006770700000000, -0.0003443300000000 ] - [ -0.0016915200000000, -0.0000005000000000, -0.0011084100000000 ] - [ 0.0008881900000000, -0.0012939600000000, -0.0026590900000000 ] - [ 0.0017902800000000, 0.0001242300000000, 0.0012406400000000 ] - [ 0.0008881900000000, 0.0012939600000000, -0.0026590900000000 ] - [ 0.0017902800000000, -0.0001242300000000, 0.0012406400000000 ] - [ 0.0017068600000000, 0.0000000000000000, 0.0008623700000000 ] - [ 0.0018624800000000, 0.0000000000000000, 0.0013273600000000 ] - [ 0.0002320300000000, 0.0000000000000000, -0.0007976400000000 ] - [ -0.0018254800000000, 0.0000000000000000, -0.0004873600000000 ] - [ -0.0001246700000000, 0.0000845800000000, -0.0006297500000000 ] - [ -0.0006190900000000, -0.0001042000000000, -0.0003845600000000 ] - [ -0.0001246700000000, -0.0000845800000000, -0.0006297500000000 ] - [ -0.0006190900000000, 0.0001042000000000, -0.0003845600000000 ] - [ 0.0000266500000000, 0.0009920900000000, 0.0022847800000000 ] - [ 0.0006225400000000, 0.0000063900000000, 0.0004545300000000 ] - [ 0.0000266500000000, -0.0009920900000000, 0.0022847800000000 ] - [ 0.0006225400000000, -0.0000063900000000, 0.0004545300000000 ] - [ 0.0001804600000000, 0.0000000000000000, 0.0008356600000000 ] - [ 0.0006377900000000, 0.0000000000000000, 0.0004559700000000 ]- atom: 61 displacement: [ 0.0099999949782129, 0.0000000000000000, -0.0000100217621775 ] forces: - [ 0.0046920700000000, 0.0000000000000000, 0.0036323700000000 ] - [ 0.0006726400000000, 0.0000000000000000, 0.0002904500000000 ] - [ 0.0010013000000000, 0.0025818900000000, 0.0021520300000000 ] - [ 0.0005716900000000, -0.0000374500000000, 0.0002472800000000 ] - [ 0.0010013000000000, -0.0025818900000000, 0.0021520300000000 ] - [ 0.0005716900000000, 0.0000374500000000, 0.0002472800000000 ] - [ 0.0008546700000000, -0.0002087200000000, -0.0008475800000000 ] - [ 0.0005273400000000, 0.0001455800000000, -0.0002862600000000 ] - [ 0.0008546700000000, 0.0002087200000000, -0.0008475800000000 ] - [ 0.0005273400000000, -0.0001455800000000, -0.0002862600000000 ] - [ 0.0000287600000000, 0.0000000000000000, -0.0004720200000000 ] - [ 0.0004461900000000, 0.0000000000000000, -0.0000211100000000 ] - [ 0.0000898700000000, 0.0000000000000000, 0.0003489900000000 ] - [ -0.0004955400000000, 0.0000000000000000, -0.0005546300000000 ] - [ -0.0003948500000000, -0.0000083600000000, 0.0000790700000000 ] - [ -0.0008628200000000, -0.0002803600000000, -0.0006865300000000 ] - [ -0.0003948500000000, 0.0000083600000000, 0.0000790700000000 ] - [ -0.0008628200000000, 0.0002803600000000, -0.0006865300000000 ] - [ 0.0014382000000000, -0.0033635300000000, -0.0053564100000000 ] - [ 0.0011531700000000, -0.0000126300000000, 0.0003737100000000 ] - [ 0.0014382000000000, 0.0033635300000000, -0.0053564100000000 ] - [ 0.0011531700000000, 0.0000126300000000, 0.0003737100000000 ] - [ 0.0002851900000000, 0.0000000000000000, -0.0001433900000000 ] - [ 0.0011304000000000, 0.0000000000000000, 0.0003598500000000 ] - [ -0.0019000900000000, 0.0000000000000000, 0.0005276900000000 ] - [ -0.0005545600000000, 0.0000000000000000, 0.0008944300000000 ] - [ -0.0018223700000000, 0.0001316200000000, 0.0005187500000000 ] - [ -0.0007788900000000, -0.0001456400000000, 0.0007157200000000 ] - [ -0.0018223700000000, -0.0001316200000000, 0.0005187500000000 ] - [ -0.0007788900000000, 0.0001456400000000, 0.0007157200000000 ] - [ 0.0017101500000000, -0.0001387300000000, -0.0001467500000000 ] - [ 0.0016626200000000, 0.0000615900000000, -0.0000972700000000 ] - [ 0.0017101500000000, 0.0001387300000000, -0.0001467500000000 ] - [ 0.0016626200000000, -0.0000615900000000, -0.0000972700000000 ] - [ 0.0017047200000000, 0.0000000000000000, 0.0000614200000000 ] - [ 0.0016674200000000, 0.0000000000000000, -0.0002193900000000 ] - [ -0.0011900500000000, 0.0000000000000000, -0.0020161300000000 ] - [ -0.0021886100000000, 0.0000000000000000, -0.0009128200000000 ] - [ -0.0012350600000000, 0.0000070100000000, -0.0020258500000000 ] - [ -0.0024335300000000, -0.0009495800000000, -0.0013426900000000 ] - [ -0.0012350600000000, -0.0000070100000000, -0.0020258500000000 ] - [ -0.0024335300000000, 0.0009495800000000, -0.0013426900000000 ] - [ 0.0009967600000000, 0.0006996100000000, 0.0009961600000000 ] - [ 0.0020015300000000, -0.0000459700000000, 0.0024549200000000 ] - [ 0.0009967600000000, -0.0006996100000000, 0.0009961600000000 ] - [ 0.0020015300000000, 0.0000459700000000, 0.0024549200000000 ] - [ 0.0009887000000000, 0.0000000000000000, 0.0014986800000000 ] - [ 0.0019427900000000, 0.0000000000000000, 0.0024059500000000 ] - [ -0.0026852200000000, 0.0000000000000000, -0.0025431700000000 ] - [ 0.0009785300000000, 0.0000000000000000, -0.0003329700000000 ] - [ -0.0027471000000000, 0.0000719800000000, -0.0024242100000000 ] - [ -0.0027257900000000, -0.0008077800000000, -0.0024584100000000 ] - [ -0.0027471000000000, -0.0000719800000000, -0.0024242100000000 ] - [ -0.0027257900000000, 0.0008077800000000, -0.0024584100000000 ] - [ 0.0016246100000000, -0.0019670900000000, 0.0048254000000000 ] - [ 0.0036280900000000, -0.0000030100000000, 0.0027162900000000 ] - [ 0.0016246100000000, 0.0019670900000000, 0.0048254000000000 ] - [ 0.0036280900000000, 0.0000030100000000, 0.0027162900000000 ] - [ 0.0021944900000000, 0.0000000000000000, 0.0021354500000000 ] - [ 0.0036017700000000, 0.0000000000000000, 0.0027214800000000 ] - [ -0.0632981200000000, 0.0000000000000000, -0.0028314600000000 ] - [ 0.0013781200000000, 0.0000000000000000, 0.0003958900000000 ] - [ -0.0009127200000000, -0.0000908400000000, -0.0006846900000000 ] - [ 0.0013628100000000, -0.0000035400000000, 0.0004265500000000 ] - [ -0.0009127200000000, 0.0000908400000000, -0.0006846900000000 ] - [ 0.0013628100000000, 0.0000035400000000, 0.0004265500000000 ] - [ -0.0004407400000000, -0.0000841700000000, -0.0000706600000000 ] - [ 0.0050500200000000, 0.0060051600000000, -0.0015670400000000 ] - [ -0.0004407400000000, 0.0000841700000000, -0.0000706600000000 ] - [ 0.0050500200000000, -0.0060051600000000, -0.0015670400000000 ] - [ -0.0004957000000000, 0.0000000000000000, -0.0000814700000000 ] - [ -0.0015731200000000, 0.0000000000000000, -0.0005664900000000 ] - [ -0.0029407800000000, 0.0000000000000000, 0.0010073100000000 ] - [ -0.0027572100000000, 0.0000000000000000, 0.0010569600000000 ] - [ -0.0021885700000000, -0.0002289500000000, 0.0004354000000000 ] - [ -0.0019539000000000, 0.0009193900000000, 0.0002780200000000 ] - [ -0.0021885700000000, 0.0002289500000000, 0.0004354000000000 ] - [ -0.0019539000000000, -0.0009193900000000, 0.0002780200000000 ] - [ 0.0087282500000000, -0.0001878200000000, -0.0010000600000000 ] - [ 0.0003020000000000, -0.0000081000000000, -0.0007758200000000 ] - [ 0.0087282500000000, 0.0001878200000000, -0.0010000600000000 ] - [ 0.0003020000000000, 0.0000081000000000, -0.0007758200000000 ] - [ 0.0028847000000000, 0.0000000000000000, 0.0007063900000000 ] - [ 0.0003499800000000, 0.0000000000000000, -0.0007917900000000 ] - [ 0.0082605400000000, 0.0000000000000000, -0.0062392700000000 ] - [ -0.0021795200000000, 0.0000000000000000, -0.0014971600000000 ] - [ 0.0009104200000000, 0.0005877000000000, -0.0001634700000000 ] - [ -0.0020286200000000, -0.0000361800000000, -0.0015845400000000 ] - [ 0.0009104200000000, -0.0005877000000000, -0.0001634700000000 ] - [ -0.0020286200000000, 0.0000361800000000, -0.0015845400000000 ] - [ 0.0007483500000000, 0.0000407300000000, 0.0012496700000000 ] - [ 0.0101692600000000, 0.0035002000000000, 0.0056660400000000 ] - [ 0.0007483500000000, -0.0000407300000000, 0.0012496700000000 ] - [ 0.0101692600000000, -0.0035002000000000, 0.0056660400000000 ] - [ 0.0007852300000000, 0.0000000000000000, 0.0012170300000000 ] - [ 0.0023750400000000, 0.0000000000000000, 0.0019013200000000 ] - [ -0.0007735600000000, 0.0000000000000000, -0.0027158300000000 ] - [ -0.0022744800000000, 0.0000000000000000, -0.0016592600000000 ] - [ -0.0013672400000000, -0.0004703600000000, -0.0022030100000000 ] - [ -0.0022837200000000, 0.0000488700000000, -0.0015949300000000 ] - [ -0.0013672400000000, 0.0004703600000000, -0.0022030100000000 ] - [ -0.0022837200000000, -0.0000488700000000, -0.0015949300000000 ] - [ 0.0015271500000000, 0.0000457100000000, 0.0015381500000000 ] - [ 0.0007196800000000, -0.0010630600000000, 0.0002278400000000 ] - [ 0.0015271500000000, -0.0000457100000000, 0.0015381500000000 ] - [ 0.0007196800000000, 0.0010630600000000, 0.0002278400000000 ] - [ 0.0016959200000000, 0.0000000000000000, 0.0011474400000000 ] - [ 0.0014536700000000, 0.0000000000000000, 0.0006498200000000 ] - [ 0.0008875900000000, 0.0000000000000000, 0.0007362900000000 ] - [ -0.0014358300000000, 0.0000000000000000, -0.0006885800000000 ] - [ 0.0008068500000000, -0.0005049400000000, 0.0005577600000000 ] - [ -0.0012911800000000, -0.0000042400000000, -0.0006838900000000 ] - [ 0.0008068500000000, 0.0005049400000000, 0.0005577600000000 ] - [ -0.0012911800000000, 0.0000042400000000, -0.0006838900000000 ] - [ -0.0000746900000000, 0.0001880700000000, -0.0000033100000000 ] - [ 0.0007924100000000, -0.0001989100000000, 0.0004883100000000 ] - [ -0.0000746900000000, -0.0001880700000000, -0.0000033100000000 ] - [ 0.0007924100000000, 0.0001989100000000, 0.0004883100000000 ] - [ -0.0001218200000000, 0.0000000000000000, 0.0001257800000000 ] - [ 0.0008787800000000, 0.0000000000000000, 0.0005785800000000 ]- atom: 61 displacement: [ -0.0099999949782129, 0.0000000000000000, 0.0000100217621775 ] forces: - [ -0.0044440000000000, 0.0000000000000000, -0.0029866100000000 ] - [ -0.0004772900000000, 0.0000000000000000, 0.0003111600000000 ] - [ -0.0008056600000000, -0.0025830200000000, -0.0015434500000000 ] - [ -0.0003855200000000, 0.0000142200000000, 0.0003466700000000 ] - [ -0.0008056600000000, 0.0025830200000000, -0.0015434500000000 ] - [ -0.0003855200000000, -0.0000142200000000, 0.0003466700000000 ] - [ -0.0010335100000000, 0.0001850200000000, 0.0002490700000000 ] - [ -0.0007040500000000, -0.0001670500000000, -0.0003037300000000 ] - [ -0.0010335100000000, -0.0001850200000000, 0.0002490700000000 ] - [ -0.0007040500000000, 0.0001670500000000, -0.0003037300000000 ] - [ -0.0002197000000000, 0.0000000000000000, -0.0001299900000000 ] - [ -0.0006337700000000, 0.0000000000000000, -0.0005806500000000 ] - [ -0.0016643700000000, 0.0000000000000000, -0.0006939000000000 ] - [ -0.0010668400000000, 0.0000000000000000, 0.0002067900000000 ] - [ -0.0011880800000000, -0.0000236000000000, -0.0004504000000000 ] - [ -0.0007223200000000, 0.0002442300000000, 0.0003142000000000 ] - [ -0.0011880800000000, 0.0000236000000000, -0.0004504000000000 ] - [ -0.0007223200000000, -0.0002442300000000, 0.0003142000000000 ] - [ 0.0001377300000000, 0.0033101300000000, 0.0056935500000000 ] - [ 0.0004336200000000, -0.0000192200000000, 0.0000011100000000 ] - [ 0.0001377300000000, -0.0033101300000000, 0.0056935500000000 ] - [ 0.0004336200000000, 0.0000192200000000, 0.0000011100000000 ] - [ 0.0012902200000000, 0.0000000000000000, 0.0004917400000000 ] - [ 0.0004497100000000, 0.0000000000000000, -0.0000101600000000 ] - [ -0.0010990500000000, 0.0000000000000000, 0.0002150100000000 ] - [ -0.0024410800000000, 0.0000000000000000, -0.0001539200000000 ] - [ -0.0011744800000000, -0.0001700800000000, 0.0002215800000000 ] - [ -0.0022119800000000, 0.0001081100000000, 0.0000249100000000 ] - [ -0.0011744800000000, 0.0001700800000000, 0.0002215800000000 ] - [ -0.0022119800000000, -0.0001081100000000, 0.0000249100000000 ] - [ 0.0012833000000000, 0.0000998800000000, -0.0005918000000000 ] - [ 0.0013349700000000, -0.0000991300000000, -0.0006409400000000 ] - [ 0.0012833000000000, -0.0000998800000000, -0.0005918000000000 ] - [ 0.0013349700000000, 0.0000991300000000, -0.0006409400000000 ] - [ 0.0012896600000000, 0.0000000000000000, -0.0008026100000000 ] - [ 0.0013275600000000, 0.0000000000000000, -0.0005215300000000 ] - [ -0.0019633500000000, 0.0000000000000000, -0.0024177100000000 ] - [ -0.0009656800000000, 0.0000000000000000, -0.0034859000000000 ] - [ -0.0019197000000000, -0.0000311600000000, -0.0023994900000000 ] - [ -0.0007247700000000, 0.0009269400000000, -0.0030904200000000 ] - [ -0.0019197000000000, 0.0000311600000000, -0.0023994900000000 ] - [ -0.0007247700000000, -0.0009269400000000, -0.0030904200000000 ] - [ 0.0021564400000000, -0.0007223100000000, 0.0034279800000000 ] - [ 0.0011564600000000, 0.0000219400000000, 0.0019727200000000 ] - [ 0.0021564400000000, 0.0007223100000000, 0.0034279800000000 ] - [ 0.0011564600000000, -0.0000219400000000, 0.0019727200000000 ] - [ 0.0021636900000000, 0.0000000000000000, 0.0029341300000000 ] - [ 0.0012136600000000, 0.0000000000000000, 0.0020299600000000 ] - [ -0.0035556100000000, 0.0000000000000000, -0.0025024200000000 ] - [ -0.0072775800000000, 0.0000000000000000, -0.0047393800000000 ] - [ -0.0035069600000000, -0.0000933300000000, -0.0026074200000000 ] - [ -0.0035165700000000, 0.0007764500000000, -0.0025675500000000 ] - [ -0.0035069600000000, 0.0000933300000000, -0.0026074200000000 ] - [ -0.0035165700000000, -0.0007764500000000, -0.0025675500000000 ] - [ 0.0046110800000000, 0.0019367500000000, 0.0002103200000000 ] - [ 0.0026306800000000, -0.0000183000000000, 0.0023162900000000 ] - [ 0.0046110800000000, -0.0019367500000000, 0.0002103200000000 ] - [ 0.0026306800000000, 0.0000183000000000, 0.0023162900000000 ] - [ 0.0040434100000000, 0.0000000000000000, 0.0029070800000000 ] - [ 0.0026440600000000, 0.0000000000000000, 0.0023247000000000 ] - [ 0.0648368700000000, 0.0000000000000000, 0.0030633000000000 ] - [ 0.0004640700000000, 0.0000000000000000, 0.0000786100000000 ] - [ 0.0027396800000000, 0.0000580600000000, 0.0011750900000000 ] - [ 0.0004769600000000, -0.0000131100000000, 0.0000667000000000 ] - [ 0.0027396800000000, -0.0000580600000000, 0.0011750900000000 ] - [ 0.0004769600000000, 0.0000131100000000, 0.0000667000000000 ] - [ -0.0013944100000000, 0.0000674600000000, -0.0004219600000000 ] - [ -0.0069387000000000, -0.0060796900000000, 0.0010881700000000 ] - [ -0.0013944100000000, -0.0000674600000000, -0.0004219600000000 ] - [ -0.0069387000000000, 0.0060796900000000, 0.0010881700000000 ] - [ -0.0013421900000000, 0.0000000000000000, -0.0003915300000000 ] - [ -0.0002687900000000, 0.0000000000000000, 0.0000913100000000 ] - [ 0.0005793100000000, 0.0000000000000000, 0.0001287400000000 ] - [ 0.0003795500000000, 0.0000000000000000, 0.0000617800000000 ] - [ -0.0001494300000000, 0.0002431000000000, 0.0006968400000000 ] - [ -0.0003862500000000, -0.0008934200000000, 0.0008562900000000 ] - [ -0.0001494300000000, -0.0002431000000000, 0.0006968400000000 ] - [ -0.0003862500000000, 0.0008934200000000, 0.0008562900000000 ] - [ -0.0060880400000000, -0.0001000000000000, -0.0000628100000000 ] - [ 0.0020251700000000, 0.0000224500000000, -0.0003572600000000 ] - [ -0.0060880400000000, 0.0001000000000000, -0.0000628100000000 ] - [ 0.0020251700000000, -0.0000224500000000, -0.0003572600000000 ] - [ -0.0005161700000000, 0.0000000000000000, -0.0018282600000000 ] - [ 0.0019976600000000, 0.0000000000000000, -0.0003427600000000 ] - [ -0.0111217600000000, 0.0000000000000000, 0.0037765400000000 ] - [ -0.0005561400000000, 0.0000000000000000, -0.0012866500000000 ] - [ -0.0036382800000000, -0.0005667300000000, -0.0026228100000000 ] - [ -0.0007084700000000, 0.0000516300000000, -0.0012107900000000 ] - [ -0.0036382800000000, 0.0005667300000000, -0.0026228100000000 ] - [ -0.0007084700000000, -0.0000516300000000, -0.0012107900000000 ] - [ 0.0019820500000000, -0.0000250500000000, 0.0015447100000000 ] - [ -0.0074798700000000, -0.0036595900000000, -0.0029973200000000 ] - [ 0.0019820500000000, 0.0000250500000000, 0.0015447100000000 ] - [ -0.0074798700000000, 0.0036595900000000, -0.0029973200000000 ] - [ 0.0019437100000000, 0.0000000000000000, 0.0015663700000000 ] - [ 0.0003575300000000, 0.0000000000000000, 0.0008801400000000 ] - [ -0.0028854400000000, 0.0000000000000000, 0.0001651500000000 ] - [ -0.0013989600000000, 0.0000000000000000, -0.0008867600000000 ] - [ -0.0022925400000000, 0.0004774300000000, -0.0003578800000000 ] - [ -0.0013819300000000, -0.0000405200000000, -0.0009620700000000 ] - [ -0.0022925400000000, -0.0004774300000000, -0.0003578800000000 ] - [ -0.0013819300000000, 0.0000405200000000, -0.0009620700000000 ] - [ 0.0021353300000000, -0.0000383200000000, 0.0010202300000000 ] - [ 0.0029464400000000, 0.0010806400000000, 0.0023267900000000 ] - [ 0.0021353300000000, 0.0000383200000000, 0.0010202300000000 ] - [ 0.0029464400000000, -0.0010806400000000, 0.0023267900000000 ] - [ 0.0019723500000000, 0.0000000000000000, 0.0013992900000000 ] - [ 0.0022111700000000, 0.0000000000000000, 0.0018912500000000 ] - [ -0.0018790200000000, 0.0000000000000000, -0.0016665800000000 ] - [ 0.0004278400000000, 0.0000000000000000, -0.0002379200000000 ] - [ -0.0018105400000000, 0.0005291800000000, -0.0014789000000000 ] - [ 0.0002789400000000, 0.0000236100000000, -0.0002370900000000 ] - [ -0.0018105400000000, -0.0005291800000000, -0.0014789000000000 ] - [ 0.0002789400000000, -0.0000236100000000, -0.0002370900000000 ] - [ 0.0010814600000000, -0.0001676700000000, 0.0009203900000000 ] - [ 0.0002169200000000, 0.0002031600000000, 0.0004297500000000 ] - [ 0.0010814600000000, 0.0001676700000000, 0.0009203900000000 ] - [ 0.0002169200000000, -0.0002031600000000, 0.0004297500000000 ] - [ 0.0011255800000000, 0.0000000000000000, 0.0007959400000000 ] - [ 0.0001287600000000, 0.0000000000000000, 0.0003476900000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000741500000000, -0.0020504000000000, 0.0002973900000000 ] - [ 0.0000877100000000, -0.0000812400000000, 0.0002966800000000 ] - [ 0.0011783300000000, 0.0026099700000000, 0.0018269700000000 ] - [ -0.0000821400000000, 0.0000396800000000, 0.0002877800000000 ] - [ -0.0010094500000000, 0.0026315400000000, -0.0012345300000000 ] - [ 0.0002481800000000, 0.0000630100000000, 0.0002981000000000 ] - [ -0.0012904000000000, -0.0002305300000000, -0.0000465300000000 ] - [ 0.0001403200000000, -0.0002563300000000, -0.0001599200000000 ] - [ 0.0011300200000000, -0.0002090900000000, -0.0005436100000000 ] - [ -0.0003056000000000, -0.0002352800000000, -0.0004270600000000 ] - [ -0.0000853000000000, 0.0004181200000000, -0.0002968200000000 ] - [ -0.0000873800000000, 0.0008174200000000, -0.0002959400000000 ] - [ -0.0007817200000000, -0.0000610000000000, -0.0001730600000000 ] - [ -0.0007731500000000, -0.0004312300000000, -0.0001770500000000 ] - [ -0.0006217700000000, 0.0000002600000000, -0.0000486000000000 ] - [ -0.0010424500000000, 0.0004191200000000, 0.0002900300000000 ] - [ -0.0009464100000000, 0.0000319100000000, -0.0003213400000000 ] - [ -0.0005239500000000, 0.0004542400000000, -0.0006651200000000 ] - [ -0.0027315400000000, 0.0016628400000000, 0.0062200200000000 ] - [ 0.0008381200000000, -0.0000281500000000, 0.0002192600000000 ] - [ 0.0043097200000000, 0.0016860600000000, -0.0058626700000000 ] - [ 0.0007306900000000, 0.0000036500000000, 0.0001513200000000 ] - [ 0.0007826900000000, 0.0008688300000000, 0.0001691000000000 ] - [ 0.0007810600000000, 0.0000241500000000, 0.0001730800000000 ] - [ -0.0014949000000000, -0.0005138900000000, 0.0003674800000000 ] - [ -0.0014933800000000, -0.0001703400000000, 0.0003695000000000 ] - [ -0.0010509400000000, 0.0003552500000000, 0.0005788500000000 ] - [ -0.0015429300000000, 0.0000943100000000, 0.0003333400000000 ] - [ -0.0019364900000000, 0.0003945800000000, 0.0001537500000000 ] - [ -0.0014445800000000, 0.0001344100000000, 0.0004008900000000 ] - [ 0.0012506300000000, -0.0002815800000000, -0.0003972600000000 ] - [ 0.0016040700000000, -0.0001174600000000, -0.0003184700000000 ] - [ 0.0017350300000000, -0.0002439000000000, -0.0003392000000000 ] - [ 0.0013848700000000, -0.0000801700000000, -0.0004161400000000 ] - [ 0.0014932800000000, 0.0007635200000000, -0.0003703400000000 ] - [ 0.0014938700000000, 0.0001718400000000, -0.0003695400000000 ] - [ -0.0015740400000000, -0.0000757400000000, -0.0022197800000000 ] - [ -0.0015716000000000, -0.0019708500000000, -0.0022201600000000 ] - [ -0.0015632800000000, 0.0000276800000000, -0.0022228300000000 ] - [ -0.0013013600000000, 0.0016424600000000, -0.0039958400000000 ] - [ -0.0015864900000000, 0.0000516900000000, -0.0022084100000000 ] - [ -0.0018441900000000, 0.0016627600000000, -0.0004517500000000 ] - [ 0.0016888700000000, -0.0006852900000000, 0.0024748800000000 ] - [ 0.0015338700000000, -0.0000535600000000, 0.0021979300000000 ] - [ 0.0014634600000000, -0.0006684100000000, 0.0019480100000000 ] - [ 0.0016156300000000, -0.0000302600000000, 0.0022332000000000 ] - [ 0.0015744300000000, 0.0012024500000000, 0.0022197700000000 ] - [ 0.0015739000000000, 0.0000787200000000, 0.0022197400000000 ] - [ -0.0031202300000000, -0.0003149200000000, -0.0025197600000000 ] - [ -0.0031118000000000, -0.0017802500000000, -0.0025124400000000 ] - [ -0.0030286300000000, 0.0001509400000000, -0.0025562900000000 ] - [ -0.0048893400000000, 0.0016562400000000, -0.0028381300000000 ] - [ -0.0032245900000000, 0.0001724800000000, -0.0024708500000000 ] - [ -0.0013748400000000, 0.0016757700000000, -0.0021856300000000 ] - [ 0.0020563900000000, 0.0022903900000000, -0.0027491500000000 ] - [ 0.0031247600000000, -0.0000434800000000, 0.0024969100000000 ] - [ 0.0041990300000000, 0.0023028400000000, 0.0077878400000000 ] - [ 0.0031291900000000, -0.0000223600000000, 0.0025292200000000 ] - [ 0.0031198800000000, 0.0010299900000000, 0.0025207700000000 ] - [ 0.0031203600000000, 0.0000650600000000, 0.0025199200000000 ] - [ 0.0008944900000000, -0.0677480600000000, 0.0006277500000000 ] - [ 0.0009163600000000, -0.0000480500000000, 0.0002359400000000 ] - [ 0.0009901500000000, 0.0065941200000000, 0.0002941300000000 ] - [ 0.0009104200000000, 0.0000175900000000, 0.0002297300000000 ] - [ 0.0008411900000000, 0.0065272100000000, 0.0001993500000000 ] - [ 0.0009198800000000, 0.0000340300000000, 0.0002606900000000 ] - [ -0.0009912000000000, -0.0000679700000000, -0.0002892400000000 ] - [ 0.0051091400000000, 0.0030871400000000, -0.0015930500000000 ] - [ -0.0008391600000000, -0.0000515600000000, -0.0002023200000000 ] - [ -0.0069725200000000, 0.0030960700000000, 0.0011113300000000 ] - [ -0.0009161500000000, 0.0001545500000000, -0.0002358500000000 ] - [ -0.0009181200000000, 0.0012037300000000, -0.0002349900000000 ] - [ -0.0011712600000000, 0.0006927500000000, 0.0005685600000000 ] - [ -0.0011745600000000, 0.0020285800000000, 0.0005705100000000 ] - [ -0.0017815600000000, -0.0003948000000000, 0.0006446900000000 ] - [ -0.0003249000000000, -0.0010730800000000, 0.0008611900000000 ] - [ -0.0005448800000000, -0.0004100800000000, 0.0004959200000000 ] - [ -0.0020058300000000, -0.0010947500000000, 0.0002766100000000 ] - [ 0.0000311000000000, 0.0060475000000000, 0.0016209300000000 ] - [ 0.0010553900000000, 0.0000580000000000, -0.0005323900000000 ] - [ 0.0026224000000000, 0.0063050900000000, -0.0027155100000000 ] - [ 0.0012688400000000, 0.0000434300000000, -0.0006087600000000 ] - [ 0.0011610700000000, -0.0033239200000000, -0.0005723900000000 ] - [ 0.0011718500000000, -0.0000900000000000, -0.0005713100000000 ] - [ -0.0013707300000000, 0.0052164600000000, -0.0013939600000000 ] - [ -0.0013674200000000, 0.0001049300000000, -0.0013911900000000 ] - [ -0.0008760500000000, -0.0013964800000000, -0.0023747300000000 ] - [ -0.0014332600000000, -0.0000482200000000, -0.0013709800000000 ] - [ -0.0018593600000000, -0.0014324700000000, -0.0004207700000000 ] - [ -0.0013042500000000, -0.0000644200000000, -0.0014229200000000 ] - [ 0.0013838800000000, 0.0000656600000000, 0.0013909100000000 ] - [ 0.0043143300000000, 0.0110033200000000, 0.0067736800000000 ] - [ 0.0013525000000000, 0.0000507800000000, 0.0014026500000000 ] - [ -0.0018686200000000, 0.0114117700000000, -0.0044223400000000 ] - [ 0.0013675100000000, -0.0001185500000000, 0.0013918900000000 ] - [ 0.0013761700000000, -0.0037347700000000, 0.0014014800000000 ] - [ -0.0018294200000000, 0.0020706800000000, -0.0012673500000000 ] - [ -0.0018340100000000, 0.0001557200000000, -0.0012719900000000 ] - [ -0.0022791100000000, -0.0010954700000000, -0.0022871300000000 ] - [ -0.0017737500000000, -0.0000743100000000, -0.0012796100000000 ] - [ -0.0013748200000000, -0.0011120700000000, -0.0002619700000000 ] - [ -0.0018884900000000, -0.0000830600000000, -0.0012731600000000 ] - [ 0.0022221400000000, 0.0003256400000000, 0.0010598300000000 ] - [ 0.0014560600000000, 0.0005482500000000, 0.0009671200000000 ] - [ 0.0014392100000000, 0.0003191000000000, 0.0014954000000000 ] - [ 0.0022045500000000, 0.0005494700000000, 0.0015847000000000 ] - [ 0.0018333700000000, -0.0006860300000000, 0.0012728700000000 ] - [ 0.0018354100000000, -0.0011686600000000, 0.0012731100000000 ] - [ -0.0005034700000000, 0.0037737600000000, -0.0004509100000000 ] - [ -0.0005046100000000, 0.0000856500000000, -0.0004529400000000 ] - [ -0.0008013300000000, -0.0015637000000000, 0.0006224000000000 ] - [ -0.0004902900000000, -0.0000316900000000, -0.0004542500000000 ] - [ -0.0002135200000000, -0.0015931700000000, -0.0015205300000000 ] - [ -0.0005205700000000, -0.0000516700000000, -0.0004469100000000 ] - [ 0.0006543100000000, 0.0001214400000000, 0.0004825800000000 ] - [ 0.0002765500000000, 0.0007699800000000, 0.0001714800000000 ] - [ 0.0003577500000000, 0.0001033400000000, 0.0004181100000000 ] - [ 0.0007306000000000, 0.0007584300000000, 0.0007374600000000 ] - [ 0.0005047600000000, -0.0001970100000000, 0.0004518700000000 ] - [ 0.0005041600000000, -0.0015886000000000, 0.0004570200000000 ]- atom: 61 displacement: [ -0.0032316847127924, 0.0000000000000000, 0.0094634144956831 ] forces: - [ 0.0014058000000000, 0.0000000000000000, -0.0004472700000000 ] - [ -0.0001203300000000, 0.0000000000000000, 0.0002325400000000 ] - [ -0.0001154200000000, -0.0003010900000000, -0.0001363600000000 ] - [ 0.0000844900000000, 0.0000072400000000, 0.0003432800000000 ] - [ -0.0001154200000000, 0.0003010900000000, -0.0001363600000000 ] - [ 0.0000844900000000, -0.0000072400000000, 0.0003432800000000 ] - [ -0.0001043500000000, -0.0000121700000000, -0.0004618700000000 ] - [ -0.0000900600000000, -0.0000221100000000, -0.0005254300000000 ] - [ -0.0001043500000000, 0.0000121700000000, -0.0004618700000000 ] - [ -0.0000900600000000, 0.0000221100000000, -0.0005254300000000 ] - [ -0.0001293800000000, 0.0000000000000000, -0.0002898800000000 ] - [ -0.0000142100000000, 0.0000000000000000, -0.0006846000000000 ] - [ -0.0006052000000000, 0.0000000000000000, -0.0001171600000000 ] - [ -0.0031052300000000, 0.0000000000000000, 0.0008909100000000 ] - [ -0.0007562400000000, 0.0000064400000000, -0.0002355000000000 ] - [ -0.0008754400000000, -0.0000004600000000, 0.0003376500000000 ] - [ -0.0007562400000000, -0.0000064400000000, -0.0002355000000000 ] - [ -0.0008754400000000, 0.0000004600000000, 0.0003376500000000 ] - [ -0.0037542900000000, 0.0054978300000000, 0.0067192200000000 ] - [ 0.0008109600000000, -0.0000188200000000, 0.0001742600000000 ] - [ -0.0037542900000000, -0.0054978300000000, 0.0067192200000000 ] - [ 0.0008109600000000, 0.0000188200000000, 0.0001742600000000 ] - [ 0.0007621400000000, 0.0000000000000000, 0.0000144500000000 ] - [ 0.0008167600000000, 0.0000000000000000, 0.0001846300000000 ] - [ -0.0021090700000000, 0.0000000000000000, 0.0007244800000000 ] - [ -0.0012606400000000, 0.0000000000000000, 0.0004814300000000 ] - [ -0.0020093600000000, -0.0000473600000000, 0.0008556900000000 ] - [ -0.0012592500000000, 0.0000022000000000, 0.0004766400000000 ] - [ -0.0020093600000000, 0.0000473600000000, 0.0008556900000000 ] - [ -0.0012592500000000, -0.0000022000000000, 0.0004766400000000 ] - [ 0.0017673200000000, -0.0000461100000000, -0.0001076500000000 ] - [ 0.0015717200000000, -0.0000136500000000, -0.0001775800000000 ] - [ 0.0017673200000000, 0.0000461100000000, -0.0001076500000000 ] - [ 0.0015717200000000, 0.0000136500000000, -0.0001775800000000 ] - [ 0.0017988000000000, 0.0000000000000000, 0.0001731400000000 ] - [ 0.0015940600000000, 0.0000000000000000, -0.0002711400000000 ] - [ -0.0014956300000000, 0.0000000000000000, -0.0021785200000000 ] - [ -0.0012974800000000, 0.0000000000000000, 0.0019898400000000 ] - [ -0.0014989900000000, -0.0000000600000000, -0.0021683300000000 ] - [ -0.0016094900000000, -0.0003645500000000, -0.0017293900000000 ] - [ -0.0014989900000000, 0.0000000600000000, -0.0021683300000000 ] - [ -0.0016094900000000, 0.0003645500000000, -0.0017293900000000 ] - [ 0.0014410600000000, -0.0008692600000000, 0.0040587300000000 ] - [ 0.0016786500000000, -0.0000384100000000, 0.0022393000000000 ] - [ 0.0014410600000000, 0.0008692600000000, 0.0040587300000000 ] - [ 0.0016786500000000, 0.0000384100000000, 0.0022393000000000 ] - [ 0.0015399700000000, 0.0000000000000000, 0.0033259000000000 ] - [ 0.0016555600000000, 0.0000000000000000, 0.0022267400000000 ] - [ -0.0031191200000000, 0.0000000000000000, -0.0025505900000000 ] - [ -0.0018683700000000, 0.0000000000000000, -0.0021973300000000 ] - [ -0.0031194200000000, -0.0000317000000000, -0.0024637300000000 ] - [ -0.0019399900000000, -0.0008491400000000, -0.0024800400000000 ] - [ -0.0031194200000000, 0.0000317000000000, -0.0024637300000000 ] - [ -0.0019399900000000, 0.0008491400000000, -0.0024800400000000 ] - [ 0.0050494200000000, -0.0047093600000000, 0.0075993300000000 ] - [ 0.0031726800000000, -0.0000258600000000, 0.0025589400000000 ] - [ 0.0050494200000000, 0.0047093600000000, 0.0075993300000000 ] - [ 0.0031726800000000, 0.0000258600000000, 0.0025589400000000 ] - [ 0.0029742400000000, 0.0000000000000000, 0.0023459100000000 ] - [ 0.0031796300000000, 0.0000000000000000, 0.0025611200000000 ] - [ 0.0192180600000000, 0.0000000000000000, -0.0638009300000000 ] - [ 0.0009130900000000, 0.0000000000000000, 0.0002453900000000 ] - [ 0.0006244600000000, -0.0000346700000000, -0.0004611700000000 ] - [ 0.0009365600000000, 0.0000050100000000, 0.0002771400000000 ] - [ 0.0006244600000000, 0.0000346700000000, -0.0004611700000000 ] - [ 0.0009365600000000, -0.0000050100000000, 0.0002771400000000 ] - [ -0.0008995700000000, -0.0000249500000000, -0.0002544800000000 ] - [ -0.0041160300000000, -0.0032496400000000, -0.0014111400000000 ] - [ -0.0008995700000000, 0.0000249500000000, -0.0002544800000000 ] - [ -0.0041160300000000, 0.0032496400000000, -0.0014111400000000 ] - [ -0.0009030000000000, 0.0000000000000000, -0.0002343300000000 ] - [ -0.0010118700000000, 0.0000000000000000, -0.0003200500000000 ] - [ -0.0013694900000000, 0.0000000000000000, 0.0008924800000000 ] - [ -0.0007248400000000, 0.0000000000000000, 0.0013304600000000 ] - [ -0.0011813700000000, 0.0000167200000000, 0.0005897600000000 ] - [ -0.0008316000000000, -0.0004851600000000, 0.0009525500000000 ] - [ -0.0011813700000000, -0.0000167200000000, 0.0005897600000000 ] - [ -0.0008316000000000, 0.0004851600000000, 0.0009525500000000 ] - [ -0.0009407000000000, 0.0009812900000000, 0.0036352900000000 ] - [ 0.0011593900000000, 0.0000884900000000, -0.0005705800000000 ] - [ -0.0009407000000000, -0.0009812900000000, 0.0036352900000000 ] - [ 0.0011593900000000, -0.0000884900000000, -0.0005705800000000 ] - [ 0.0012497500000000, 0.0000000000000000, -0.0001956700000000 ] - [ 0.0011241900000000, 0.0000000000000000, -0.0005881600000000 ] - [ -0.0079114500000000, 0.0000000000000000, 0.0144121900000000 ] - [ -0.0014798000000000, 0.0000000000000000, -0.0013712600000000 ] - [ -0.0008176500000000, -0.0008715400000000, -0.0015269800000000 ] - [ -0.0014422500000000, -0.0000041900000000, -0.0014025700000000 ] - [ -0.0008176500000000, 0.0008715400000000, -0.0015269800000000 ] - [ -0.0014422500000000, 0.0000041900000000, -0.0014025700000000 ] - [ 0.0013348500000000, 0.0000152300000000, 0.0013448500000000 ] - [ 0.0026832300000000, 0.0037478400000000, 0.0099107500000000 ] - [ 0.0013348500000000, -0.0000152300000000, 0.0013448500000000 ] - [ 0.0026832300000000, -0.0037478400000000, 0.0099107500000000 ] - [ 0.0013290900000000, 0.0000000000000000, 0.0013324100000000 ] - [ 0.0014740100000000, 0.0000000000000000, 0.0018313900000000 ] - [ -0.0025491900000000, 0.0000000000000000, -0.0018960300000000 ] - [ -0.0018257100000000, 0.0000000000000000, -0.0014970800000000 ] - [ -0.0024713500000000, -0.0009713100000000, -0.0019492400000000 ] - [ -0.0018791500000000, -0.0000055600000000, -0.0014219600000000 ] - [ -0.0024713500000000, 0.0009713100000000, -0.0019492400000000 ] - [ -0.0018791500000000, 0.0000055600000000, -0.0014219600000000 ] - [ 0.0021259500000000, -0.0000366800000000, 0.0011313700000000 ] - [ 0.0013179600000000, -0.0000865100000000, 0.0010807700000000 ] - [ 0.0021259500000000, 0.0000366800000000, 0.0011313700000000 ] - [ 0.0013179600000000, 0.0000865100000000, 0.0010807700000000 ] - [ 0.0019993300000000, 0.0000000000000000, 0.0010556100000000 ] - [ 0.0014748100000000, 0.0000000000000000, 0.0011025500000000 ] - [ 0.0003632400000000, 0.0000000000000000, -0.0021607600000000 ] - [ -0.0006977800000000, 0.0000000000000000, -0.0004326400000000 ] - [ -0.0003236400000000, 0.0006054700000000, -0.0018878300000000 ] - [ -0.0006981400000000, -0.0000087800000000, -0.0004356000000000 ] - [ -0.0003236400000000, -0.0006054700000000, -0.0018878300000000 ] - [ -0.0006981400000000, 0.0000087800000000, -0.0004356000000000 ] - [ 0.0002578400000000, 0.0000791300000000, 0.0004397500000000 ] - [ 0.0007846500000000, -0.0004276300000000, -0.0012287800000000 ] - [ 0.0002578400000000, -0.0000791300000000, 0.0004397500000000 ] - [ 0.0007846500000000, 0.0004276300000000, -0.0012287800000000 ] - [ 0.0002254600000000, 0.0000000000000000, 0.0005118400000000 ] - [ 0.0003649300000000, 0.0000000000000000, -0.0000101300000000 ]- atom: 61 displacement: [ 0.0032316847127924, 0.0000000000000000, -0.0094634144956831 ] forces: - [ -0.0012172000000000, 0.0000000000000000, 0.0010296900000000 ] - [ 0.0003183500000000, 0.0000000000000000, 0.0003674200000000 ] - [ 0.0003055500000000, 0.0002566400000000, 0.0007143800000000 ] - [ 0.0001091700000000, -0.0000300300000000, 0.0002510300000000 ] - [ 0.0003055500000000, -0.0002566400000000, 0.0007143800000000 ] - [ 0.0001091700000000, 0.0000300300000000, 0.0002510300000000 ] - [ -0.0000972500000000, -0.0000097900000000, -0.0001315900000000 ] - [ -0.0001050600000000, -0.0000007200000000, -0.0000701100000000 ] - [ -0.0000972500000000, 0.0000097900000000, -0.0001315900000000 ] - [ -0.0001050600000000, 0.0000007200000000, -0.0000701100000000 ] - [ -0.0000735800000000, 0.0000000000000000, -0.0003080500000000 ] - [ -0.0001893400000000, 0.0000000000000000, 0.0000816900000000 ] - [ -0.0009669000000000, 0.0000000000000000, -0.0002349600000000 ] - [ 0.0015096900000000, 0.0000000000000000, -0.0012427300000000 ] - [ -0.0008206200000000, -0.0000380200000000, -0.0001414900000000 ] - [ -0.0006990200000000, -0.0000287300000000, -0.0007147400000000 ] - [ -0.0008206200000000, 0.0000380200000000, -0.0001414900000000 ] - [ -0.0006990200000000, 0.0000287300000000, -0.0007147400000000 ] - [ 0.0053788500000000, -0.0056082400000000, -0.0063862900000000 ] - [ 0.0007630200000000, -0.0000129600000000, 0.0001997800000000 ] - [ 0.0053788500000000, 0.0056082400000000, -0.0063862900000000 ] - [ 0.0007630200000000, 0.0000129600000000, 0.0001997800000000 ] - [ 0.0008068600000000, 0.0000000000000000, 0.0003433400000000 ] - [ 0.0007506600000000, 0.0000000000000000, 0.0001650200000000 ] - [ -0.0008936700000000, 0.0000000000000000, 0.0000146300000000 ] - [ -0.0017431000000000, 0.0000000000000000, 0.0002576900000000 ] - [ -0.0009902300000000, 0.0000084900000000, -0.0001189300000000 ] - [ -0.0017449700000000, -0.0000413100000000, 0.0002579700000000 ] - [ -0.0009902300000000, -0.0000084900000000, -0.0001189300000000 ] - [ -0.0017449700000000, 0.0000413100000000, 0.0002579700000000 ] - [ 0.0012348700000000, 0.0000094600000000, -0.0006291300000000 ] - [ 0.0014272600000000, -0.0000255900000000, -0.0005571600000000 ] - [ 0.0012348700000000, -0.0000094600000000, -0.0006291300000000 ] - [ 0.0014272600000000, 0.0000255900000000, -0.0005571600000000 ] - [ 0.0012067700000000, 0.0000000000000000, -0.0009098500000000 ] - [ 0.0014088500000000, 0.0000000000000000, -0.0004678500000000 ] - [ -0.0016662100000000, 0.0000000000000000, -0.0022612000000000 ] - [ -0.0018671500000000, 0.0000000000000000, -0.0064826300000000 ] - [ -0.0016644000000000, -0.0000241700000000, -0.0022624700000000 ] - [ -0.0015516700000000, 0.0003385700000000, -0.0026920600000000 ] - [ -0.0016644000000000, 0.0000241700000000, -0.0022624700000000 ] - [ -0.0015516700000000, -0.0003385700000000, -0.0026920600000000 ] - [ 0.0017226200000000, 0.0008350700000000, 0.0003925500000000 ] - [ 0.0014826900000000, 0.0000150900000000, 0.0021901000000000 ] - [ 0.0017226200000000, -0.0008350700000000, 0.0003925500000000 ] - [ 0.0014826900000000, -0.0000150900000000, 0.0021901000000000 ] - [ 0.0016217800000000, 0.0000000000000000, 0.0011151700000000 ] - [ 0.0015043800000000, 0.0000000000000000, 0.0022107200000000 ] - [ -0.0031105600000000, 0.0000000000000000, -0.0024906900000000 ] - [ -0.0043427200000000, 0.0000000000000000, -0.0028349900000000 ] - [ -0.0031224600000000, 0.0000093100000000, -0.0025639600000000 ] - [ -0.0043054400000000, 0.0008292400000000, -0.0025501700000000 ] - [ -0.0031224600000000, -0.0000093100000000, -0.0025639600000000 ] - [ -0.0043054400000000, -0.0008292400000000, -0.0025501700000000 ] - [ 0.0012099700000000, 0.0046321000000000, -0.0025052900000000 ] - [ 0.0030664400000000, 0.0000045200000000, 0.0024683900000000 ] - [ 0.0012099700000000, -0.0046321000000000, -0.0025052900000000 ] - [ 0.0030664400000000, -0.0000045200000000, 0.0024683900000000 ] - [ 0.0032576000000000, 0.0000000000000000, 0.0026947600000000 ] - [ 0.0030471600000000, 0.0000000000000000, 0.0024795700000000 ] - [ -0.0164809300000000, 0.0000000000000000, 0.0633122800000000 ] - [ 0.0009190200000000, 0.0000000000000000, 0.0002349700000000 ] - [ 0.0012156000000000, 0.0000076600000000, 0.0009633200000000 ] - [ 0.0008933900000000, -0.0000214100000000, 0.0002223500000000 ] - [ 0.0012156000000000, -0.0000076600000000, 0.0009633200000000 ] - [ 0.0008933900000000, 0.0000214100000000, 0.0002223500000000 ] - [ -0.0009342700000000, 0.0000086100000000, -0.0002473800000000 ] - [ 0.0022628000000000, 0.0032142900000000, 0.0009122900000000 ] - [ -0.0009342700000000, -0.0000086100000000, -0.0002473800000000 ] - [ 0.0022628000000000, -0.0032142900000000, 0.0009122900000000 ] - [ -0.0009331800000000, 0.0000000000000000, -0.0002475700000000 ] - [ -0.0008207500000000, 0.0000000000000000, -0.0001620200000000 ] - [ -0.0009760100000000, 0.0000000000000000, 0.0002460100000000 ] - [ -0.0016267000000000, 0.0000000000000000, -0.0001808700000000 ] - [ -0.0011458700000000, -0.0000000200000000, 0.0005481800000000 ] - [ -0.0015012500000000, 0.0004994800000000, 0.0001879500000000 ] - [ -0.0011458700000000, 0.0000000200000000, 0.0005481800000000 ] - [ -0.0015012500000000, -0.0004994800000000, 0.0001879500000000 ] - [ 0.0032295700000000, -0.0009730200000000, -0.0047114200000000 ] - [ 0.0011768600000000, -0.0000722900000000, -0.0005663600000000 ] - [ 0.0032295700000000, 0.0009730200000000, -0.0047114200000000 ] - [ 0.0011768600000000, 0.0000722900000000, -0.0005663600000000 ] - [ 0.0010949900000000, 0.0000000000000000, -0.0009536300000000 ] - [ 0.0012312400000000, 0.0000000000000000, -0.0005507700000000 ] - [ 0.0045612800000000, 0.0000000000000000, -0.0162562200000000 ] - [ -0.0012520200000000, 0.0000000000000000, -0.0014016600000000 ] - [ -0.0019268000000000, 0.0008883700000000, -0.0012524500000000 ] - [ -0.0012925800000000, 0.0000201600000000, -0.0013812100000000 ] - [ -0.0019268000000000, -0.0008883700000000, -0.0012524500000000 ] - [ -0.0012925800000000, -0.0000201600000000, -0.0013812100000000 ] - [ 0.0014037700000000, -0.0000002300000000, 0.0014399700000000 ] - [ -0.0000707500000000, -0.0038530000000000, -0.0071379100000000 ] - [ 0.0014037700000000, 0.0000002300000000, 0.0014399700000000 ] - [ -0.0000707500000000, 0.0038530000000000, -0.0071379100000000 ] - [ 0.0014081100000000, 0.0000000000000000, 0.0014415900000000 ] - [ 0.0012587300000000, 0.0000000000000000, 0.0009394300000000 ] - [ -0.0011129800000000, 0.0000000000000000, -0.0006313200000000 ] - [ -0.0018304600000000, 0.0000000000000000, -0.0010454700000000 ] - [ -0.0011893800000000, 0.0009784700000000, -0.0005981300000000 ] - [ -0.0017734200000000, 0.0000122200000000, -0.0011285000000000 ] - [ -0.0011893800000000, -0.0009784700000000, -0.0005981300000000 ] - [ -0.0017734200000000, -0.0000122200000000, -0.0011285000000000 ] - [ 0.0015285800000000, 0.0000422900000000, 0.0014166100000000 ] - [ 0.0023377600000000, 0.0000903500000000, 0.0014686500000000 ] - [ 0.0015285800000000, -0.0000422900000000, 0.0014166100000000 ] - [ 0.0023377600000000, -0.0000903500000000, 0.0014686500000000 ] - [ 0.0016609400000000, 0.0000000000000000, 0.0014818700000000 ] - [ 0.0021859600000000, 0.0000000000000000, 0.0014410100000000 ] - [ -0.0013672000000000, 0.0000000000000000, 0.0012002200000000 ] - [ -0.0003048300000000, 0.0000000000000000, -0.0004792600000000 ] - [ -0.0006800400000000, -0.0005741200000000, 0.0009621300000000 ] - [ -0.0003065800000000, 0.0000284900000000, -0.0004712300000000 ] - [ -0.0006800400000000, 0.0005741200000000, 0.0009621300000000 ] - [ -0.0003065800000000, -0.0000284900000000, -0.0004712300000000 ] - [ 0.0007497500000000, -0.0000605800000000, 0.0004697600000000 ] - [ 0.0002256900000000, 0.0004630700000000, 0.0021339400000000 ] - [ 0.0007497500000000, 0.0000605800000000, 0.0004697600000000 ] - [ 0.0002256900000000, -0.0004630700000000, 0.0021339400000000 ] - [ 0.0007788700000000, 0.0000000000000000, 0.0004025600000000 ] - [ 0.0006399600000000, 0.0000000000000000, 0.0009193600000000 ]- atom: 73 displacement: [ 0.0099999949782129, 0.0000000000000000, -0.0000100217621775 ] forces: - [ 0.0087251100000000, 0.0000000000000000, -0.0042163700000000 ] - [ -0.0008678800000000, 0.0000000000000000, 0.0001750900000000 ] - [ 0.0003919900000000, 0.0014353500000000, 0.0009964200000000 ] - [ -0.0008004800000000, -0.0000712400000000, 0.0001429200000000 ] - [ 0.0003919900000000, -0.0014353500000000, 0.0009964200000000 ] - [ -0.0008004800000000, 0.0000712400000000, 0.0001429200000000 ] - [ 0.0167067400000000, 0.0128306300000000, 0.0074637200000000 ] - [ -0.0009933800000000, -0.0000059800000000, -0.0003951600000000 ] - [ 0.0167067400000000, -0.0128306300000000, 0.0074637200000000 ] - [ -0.0009933800000000, 0.0000059800000000, -0.0003951600000000 ] - [ 0.0015093600000000, 0.0000000000000000, -0.0000241200000000 ] - [ -0.0009168200000000, 0.0000000000000000, -0.0003790600000000 ] - [ 0.0036429800000000, 0.0000000000000000, 0.0048662600000000 ] - [ -0.0014135000000000, 0.0000000000000000, -0.0004545900000000 ] - [ 0.0007333600000000, -0.0006288800000000, 0.0001346400000000 ] - [ -0.0013877000000000, 0.0000200200000000, -0.0004570500000000 ] - [ 0.0007333600000000, 0.0006288800000000, 0.0001346400000000 ] - [ -0.0013877000000000, -0.0000200200000000, -0.0004570500000000 ] - [ 0.0001885300000000, -0.0002484700000000, -0.0011271100000000 ] - [ 0.0001839300000000, 0.0001569600000000, 0.0001785600000000 ] - [ 0.0001885300000000, 0.0002484700000000, -0.0011271100000000 ] - [ 0.0001839300000000, -0.0001569600000000, 0.0001785600000000 ] - [ 0.0007109700000000, 0.0000000000000000, -0.0001430000000000 ] - [ 0.0005684800000000, 0.0000000000000000, 0.0001220300000000 ] - [ -0.0008858700000000, 0.0000000000000000, 0.0013444600000000 ] - [ -0.0024455200000000, 0.0000000000000000, 0.0000039800000000 ] - [ -0.0006537000000000, 0.0002621600000000, 0.0003511300000000 ] - [ -0.0023116600000000, -0.0000700500000000, 0.0000021000000000 ] - [ -0.0006537000000000, -0.0002621600000000, 0.0003511300000000 ] - [ -0.0023116600000000, 0.0000700500000000, 0.0000021000000000 ] - [ 0.0039365600000000, -0.0003871700000000, 0.0005061500000000 ] - [ 0.0003037500000000, 0.0000045900000000, -0.0008180500000000 ] - [ 0.0039365600000000, 0.0003871700000000, 0.0005061500000000 ] - [ 0.0003037500000000, -0.0000045900000000, -0.0008180500000000 ] - [ 0.0030480900000000, 0.0000000000000000, 0.0001624200000000 ] - [ 0.0003913000000000, 0.0000000000000000, -0.0007943300000000 ] - [ -0.0011326000000000, 0.0000000000000000, -0.0022542500000000 ] - [ -0.0022100000000000, 0.0000000000000000, -0.0026435700000000 ] - [ -0.0011602000000000, -0.0005337200000000, -0.0023646300000000 ] - [ -0.0020797900000000, 0.0001531100000000, -0.0025785100000000 ] - [ -0.0011602000000000, 0.0005337200000000, -0.0023646300000000 ] - [ -0.0020797900000000, -0.0001531100000000, -0.0025785100000000 ] - [ 0.0010009900000000, -0.0000924800000000, 0.0021167700000000 ] - [ 0.0017147000000000, 0.0003339900000000, 0.0008425800000000 ] - [ 0.0010009900000000, 0.0000924800000000, 0.0021167700000000 ] - [ 0.0017147000000000, -0.0003339900000000, 0.0008425800000000 ] - [ 0.0012205000000000, 0.0000000000000000, 0.0020284200000000 ] - [ 0.0019366000000000, 0.0000000000000000, 0.0016425500000000 ] - [ 0.0088182400000000, 0.0000000000000000, -0.0084755300000000 ] - [ -0.0041528700000000, 0.0000000000000000, -0.0029649300000000 ] - [ -0.0005362300000000, -0.0000809800000000, -0.0013956700000000 ] - [ -0.0040539300000000, 0.0000204000000000, -0.0029302500000000 ] - [ -0.0005362300000000, 0.0000809800000000, -0.0013956700000000 ] - [ -0.0040539300000000, -0.0000204000000000, -0.0029302500000000 ] - [ 0.0018275500000000, -0.0015178700000000, 0.0029141600000000 ] - [ 0.0015705700000000, 0.0002474700000000, 0.0017373500000000 ] - [ 0.0018275500000000, 0.0015178700000000, 0.0029141600000000 ] - [ 0.0015705700000000, -0.0002474700000000, 0.0017373500000000 ] - [ 0.0029870300000000, 0.0000000000000000, 0.0026488100000000 ] - [ 0.0019987400000000, 0.0000000000000000, 0.0021299800000000 ] - [ -0.0008299600000000, 0.0000000000000000, -0.0005648800000000 ] - [ -0.0006385900000000, 0.0000000000000000, 0.0001843000000000 ] - [ -0.0000920900000000, 0.0006091100000000, -0.0001144700000000 ] - [ 0.0001451400000000, -0.0008469900000000, 0.0003381400000000 ] - [ -0.0000920900000000, -0.0006091100000000, -0.0001144700000000 ] - [ 0.0001451400000000, 0.0008469900000000, 0.0003381400000000 ] - [ 0.0066324000000000, -0.0014569500000000, 0.0001101800000000 ] - [ -0.0017875800000000, -0.0001146400000000, -0.0005552800000000 ] - [ 0.0066324000000000, 0.0014569500000000, 0.0001101800000000 ] - [ -0.0017875800000000, 0.0001146400000000, -0.0005552800000000 ] - [ 0.0007722100000000, 0.0000000000000000, 0.0004180700000000 ] - [ -0.0017508400000000, 0.0000000000000000, -0.0005800100000000 ] - [ -0.0737655600000000, 0.0000000000000000, -0.0162572000000000 ] - [ 0.0003129000000000, 0.0000000000000000, 0.0009604400000000 ] - [ -0.0103653900000000, -0.0009065100000000, -0.0037889900000000 ] - [ 0.0002636500000000, 0.0000026700000000, 0.0010017200000000 ] - [ -0.0103653900000000, 0.0009065100000000, -0.0037889900000000 ] - [ 0.0002636500000000, -0.0000026700000000, 0.0010017200000000 ] - [ 0.0058253000000000, 0.0046983000000000, 0.0021952800000000 ] - [ 0.0028429100000000, -0.0003448000000000, -0.0002324300000000 ] - [ 0.0058253000000000, -0.0046983000000000, 0.0021952800000000 ] - [ 0.0028429100000000, 0.0003448000000000, -0.0002324300000000 ] - [ 0.0015053100000000, 0.0000000000000000, 0.0002259600000000 ] - [ 0.0025428800000000, 0.0000000000000000, -0.0002687800000000 ] - [ 0.0000581900000000, 0.0000000000000000, -0.0013822500000000 ] - [ 0.0079710800000000, 0.0000000000000000, 0.0076435600000000 ] - [ -0.0002751900000000, -0.0004263600000000, -0.0011928400000000 ] - [ 0.0004292300000000, 0.0032882800000000, 0.0014367700000000 ] - [ -0.0002751900000000, 0.0004263600000000, -0.0011928400000000 ] - [ 0.0004292300000000, -0.0032882800000000, 0.0014367700000000 ] - [ 0.0033952900000000, -0.0015602900000000, -0.0015114800000000 ] - [ 0.0027625800000000, 0.0003551100000000, 0.0020023100000000 ] - [ 0.0033952900000000, 0.0015602900000000, -0.0015114800000000 ] - [ 0.0027625800000000, -0.0003551100000000, 0.0020023100000000 ] - [ 0.0003308000000000, 0.0000000000000000, 0.0004996600000000 ] - [ 0.0023442000000000, 0.0000000000000000, 0.0020103000000000 ] - [ 0.0000460800000000, 0.0000000000000000, -0.0085138400000000 ] - [ -0.0005728000000000, 0.0000000000000000, -0.0002975700000000 ] - [ -0.0026043800000000, -0.0006794700000000, -0.0028694700000000 ] - [ -0.0007265400000000, 0.0002030300000000, -0.0003662100000000 ] - [ -0.0026043800000000, 0.0006794700000000, -0.0028694700000000 ] - [ -0.0007265400000000, -0.0002030300000000, -0.0003662100000000 ] - [ -0.0053639200000000, -0.0027316300000000, 0.0035582900000000 ] - [ 0.0028655700000000, 0.0000057900000000, 0.0019786100000000 ] - [ -0.0053639200000000, 0.0027316300000000, 0.0035582900000000 ] - [ 0.0028655700000000, -0.0000057900000000, 0.0019786100000000 ] - [ -0.0000449400000000, 0.0000000000000000, 0.0007563800000000 ] - [ 0.0028033200000000, 0.0000000000000000, 0.0019492700000000 ] - [ 0.0001672800000000, 0.0000000000000000, 0.0005471800000000 ] - [ 0.0003031900000000, 0.0000000000000000, -0.0001294300000000 ] - [ -0.0003669300000000, -0.0006261100000000, 0.0002736500000000 ] - [ -0.0000565300000000, 0.0004267100000000, -0.0002165000000000 ] - [ -0.0003669300000000, 0.0006261100000000, 0.0002736500000000 ] - [ -0.0000565300000000, -0.0004267100000000, -0.0002165000000000 ] - [ -0.0017781100000000, -0.0018020700000000, 0.0011768700000000 ] - [ 0.0018502500000000, 0.0000936600000000, 0.0008280200000000 ] - [ -0.0017781100000000, 0.0018020700000000, 0.0011768700000000 ] - [ 0.0018502500000000, -0.0000936600000000, 0.0008280200000000 ] - [ -0.0010985900000000, 0.0000000000000000, 0.0004946900000000 ] - [ 0.0016569800000000, 0.0000000000000000, 0.0007853600000000 ]- atom: 73 displacement: [ -0.0099999949782129, 0.0000000000000000, 0.0000100217621775 ] forces: - [ -0.0093011100000000, 0.0000000000000000, 0.0051811700000000 ] - [ 0.0010593200000000, 0.0000000000000000, 0.0004254000000000 ] - [ -0.0002088700000000, -0.0014656700000000, -0.0004019100000000 ] - [ 0.0009853700000000, 0.0000474400000000, 0.0004508400000000 ] - [ -0.0002088700000000, 0.0014656700000000, -0.0004019100000000 ] - [ 0.0009853700000000, -0.0000474400000000, 0.0004508400000000 ] - [ -0.0170631400000000, -0.0132154900000000, -0.0082957700000000 ] - [ 0.0008097800000000, -0.0000168300000000, -0.0001980800000000 ] - [ -0.0170631400000000, 0.0132154900000000, -0.0082957700000000 ] - [ 0.0008097800000000, 0.0000168300000000, -0.0001980800000000 ] - [ -0.0016988700000000, 0.0000000000000000, -0.0005723900000000 ] - [ 0.0007264100000000, 0.0000000000000000, -0.0002209200000000 ] - [ -0.0052620100000000, 0.0000000000000000, -0.0052102000000000 ] - [ -0.0001682600000000, 0.0000000000000000, 0.0001056100000000 ] - [ -0.0023137900000000, 0.0006002400000000, -0.0005203500000000 ] - [ -0.0002004600000000, -0.0000517900000000, 0.0000831900000000 ] - [ -0.0023137900000000, -0.0006002400000000, -0.0005203500000000 ] - [ -0.0002004600000000, 0.0000517900000000, 0.0000831900000000 ] - [ 0.0013953200000000, 0.0002156700000000, 0.0015065100000000 ] - [ 0.0014033800000000, -0.0001898300000000, 0.0001962300000000 ] - [ 0.0013953200000000, -0.0002156700000000, 0.0015065100000000 ] - [ 0.0014033800000000, 0.0001898300000000, 0.0001962300000000 ] - [ 0.0008694200000000, 0.0000000000000000, 0.0004918100000000 ] - [ 0.0010143900000000, 0.0000000000000000, 0.0002272900000000 ] - [ -0.0021067300000000, 0.0000000000000000, -0.0006161800000000 ] - [ -0.0005450600000000, 0.0000000000000000, 0.0007346100000000 ] - [ -0.0023385800000000, -0.0002988000000000, 0.0003813100000000 ] - [ -0.0006799100000000, 0.0000312400000000, 0.0007333400000000 ] - [ -0.0023385800000000, 0.0002988000000000, 0.0003813100000000 ] - [ -0.0006799100000000, -0.0000312400000000, 0.0007333400000000 ] - [ -0.0009505900000000, 0.0003527000000000, -0.0012506900000000 ] - [ 0.0026895200000000, -0.0000427300000000, 0.0000819000000000 ] - [ -0.0009505900000000, -0.0003527000000000, -0.0012506900000000 ] - [ 0.0026895200000000, 0.0000427300000000, 0.0000819000000000 ] - [ -0.0000536800000000, 0.0000000000000000, -0.0009020300000000 ] - [ 0.0026030400000000, 0.0000000000000000, 0.0000553200000000 ] - [ -0.0020074800000000, 0.0000000000000000, -0.0021755500000000 ] - [ -0.0009468500000000, 0.0000000000000000, -0.0017973300000000 ] - [ -0.0019986500000000, 0.0005156700000000, -0.0020612800000000 ] - [ -0.0010796300000000, -0.0001771000000000, -0.0018551500000000 ] - [ -0.0019986500000000, -0.0005156700000000, -0.0020612800000000 ] - [ -0.0010796300000000, 0.0001771000000000, -0.0018551500000000 ] - [ 0.0021586200000000, 0.0000693000000000, 0.0023149300000000 ] - [ 0.0014488700000000, -0.0003640500000000, 0.0035763500000000 ] - [ 0.0021586200000000, -0.0000693000000000, 0.0023149300000000 ] - [ 0.0014488700000000, 0.0003640500000000, 0.0035763500000000 ] - [ 0.0019361800000000, 0.0000000000000000, 0.0024126300000000 ] - [ 0.0012209900000000, 0.0000000000000000, 0.0027996000000000 ] - [ -0.0148645700000000, 0.0000000000000000, 0.0030605400000000 ] - [ -0.0020950800000000, 0.0000000000000000, -0.0020859000000000 ] - [ -0.0057269100000000, 0.0000501600000000, -0.0036341100000000 ] - [ -0.0022071400000000, -0.0000420600000000, -0.0021073300000000 ] - [ -0.0057269100000000, -0.0000501600000000, -0.0036341100000000 ] - [ -0.0022071400000000, 0.0000420600000000, -0.0021073300000000 ] - [ 0.0044402900000000, 0.0015006900000000, 0.0021217800000000 ] - [ 0.0046858000000000, -0.0002676700000000, 0.0032964400000000 ] - [ 0.0044402900000000, -0.0015006900000000, 0.0021217800000000 ] - [ 0.0046858000000000, 0.0002676700000000, 0.0032964400000000 ] - [ 0.0032624200000000, 0.0000000000000000, 0.0024016700000000 ] - [ 0.0042479300000000, 0.0000000000000000, 0.0029202900000000 ] - [ 0.0026804800000000, 0.0000000000000000, 0.0010402500000000 ] - [ 0.0024852200000000, 0.0000000000000000, 0.0002900800000000 ] - [ 0.0019349300000000, -0.0006275100000000, 0.0006052500000000 ] - [ 0.0016989800000000, 0.0008331000000000, 0.0001518600000000 ] - [ 0.0019349300000000, 0.0006275100000000, 0.0006052500000000 ] - [ 0.0016989800000000, -0.0008331000000000, 0.0001518600000000 ] - [ -0.0081720200000000, 0.0011388900000000, -0.0005193500000000 ] - [ -0.0000508400000000, 0.0000992500000000, 0.0000659500000000 ] - [ -0.0081720200000000, -0.0011388900000000, -0.0005193500000000 ] - [ -0.0000508400000000, -0.0000992500000000, 0.0000659500000000 ] - [ -0.0026147300000000, 0.0000000000000000, -0.0008910500000000 ] - [ -0.0000900500000000, 0.0000000000000000, 0.0001098100000000 ] - [ 0.0716727100000000, 0.0000000000000000, 0.0176032500000000 ] - [ -0.0026631300000000, 0.0000000000000000, 0.0001793400000000 ] - [ 0.0080096000000000, 0.0008836100000000, 0.0049268200000000 ] - [ -0.0025954500000000, 0.0000127700000000, 0.0001370500000000 ] - [ 0.0080096000000000, -0.0008836100000000, 0.0049268200000000 ] - [ -0.0025954500000000, -0.0000127700000000, 0.0001370500000000 ] - [ -0.0035208300000000, -0.0047154500000000, -0.0033568400000000 ] - [ -0.0005115700000000, 0.0003580700000000, -0.0009071900000000 ] - [ -0.0035208300000000, 0.0047154500000000, -0.0033568400000000 ] - [ -0.0005115700000000, -0.0003580700000000, -0.0009071900000000 ] - [ 0.0008438400000000, 0.0000000000000000, -0.0013704900000000 ] - [ -0.0001948600000000, 0.0000000000000000, -0.0008743100000000 ] - [ -0.0027937900000000, 0.0000000000000000, -0.0014018100000000 ] - [ -0.0105703700000000, 0.0000000000000000, -0.0102767600000000 ] - [ -0.0024610800000000, 0.0004435900000000, -0.0016022900000000 ] - [ -0.0031449300000000, -0.0032530300000000, -0.0042234400000000 ] - [ -0.0024610800000000, -0.0004435900000000, -0.0016022900000000 ] - [ -0.0031449300000000, 0.0032530300000000, -0.0042234400000000 ] - [ -0.0006571000000000, 0.0015853600000000, 0.0042802800000000 ] - [ -0.0000287200000000, -0.0003406400000000, 0.0007900300000000 ] - [ -0.0006571000000000, -0.0015853600000000, 0.0042802800000000 ] - [ -0.0000287200000000, 0.0003406400000000, 0.0007900300000000 ] - [ 0.0024087500000000, 0.0000000000000000, 0.0022832800000000 ] - [ 0.0003886500000000, 0.0000000000000000, 0.0007722300000000 ] - [ -0.0037449100000000, 0.0000000000000000, 0.0060107500000000 ] - [ -0.0030956300000000, 0.0000000000000000, -0.0022503100000000 ] - [ -0.0010593900000000, 0.0006886700000000, 0.0003156700000000 ] - [ -0.0029374800000000, -0.0001941700000000, -0.0021921700000000 ] - [ -0.0010593900000000, -0.0006886700000000, 0.0003156700000000 ] - [ -0.0029374800000000, 0.0001941700000000, -0.0021921700000000 ] - [ 0.0090255700000000, 0.0027587200000000, -0.0009659000000000 ] - [ 0.0007962600000000, 0.0000018700000000, 0.0005795600000000 ] - [ 0.0090255700000000, -0.0027587200000000, -0.0009659000000000 ] - [ 0.0007962600000000, -0.0000018700000000, 0.0005795600000000 ] - [ 0.0037047700000000, 0.0000000000000000, 0.0017921800000000 ] - [ 0.0008638300000000, 0.0000000000000000, 0.0006002100000000 ] - [ -0.0011733600000000, 0.0000000000000000, -0.0014605300000000 ] - [ -0.0013220800000000, 0.0000000000000000, -0.0007868500000000 ] - [ -0.0006392700000000, 0.0006463300000000, -0.0011806700000000 ] - [ -0.0009546800000000, -0.0004069600000000, -0.0006939900000000 ] - [ -0.0006392700000000, -0.0006463300000000, -0.0011806700000000 ] - [ -0.0009546800000000, 0.0004069600000000, -0.0006939900000000 ] - [ 0.0027948100000000, 0.0018685700000000, -0.0002862400000000 ] - [ -0.0008424800000000, -0.0000747600000000, 0.0000813400000000 ] - [ 0.0027948100000000, -0.0018685700000000, -0.0002862400000000 ] - [ -0.0008424800000000, 0.0000747600000000, 0.0000813400000000 ] - [ 0.0021082500000000, 0.0000000000000000, 0.0004188400000000 ] - [ -0.0006512000000000, 0.0000000000000000, 0.0001287300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000905600000000, 0.0042173300000000, 0.0002801300000000 ] - [ 0.0000854700000000, 0.0001633800000000, 0.0002951400000000 ] - [ 0.0014733400000000, -0.0013956000000000, -0.0006199500000000 ] - [ 0.0000267100000000, -0.0001058200000000, 0.0003401700000000 ] - [ -0.0012953300000000, -0.0013705000000000, 0.0011989300000000 ] - [ 0.0001379500000000, -0.0000816700000000, 0.0002438400000000 ] - [ 0.0138695100000000, 0.0227489800000000, 0.0112543100000000 ] - [ -0.0000260000000000, 0.0000091600000000, -0.0002659400000000 ] - [ -0.0146367100000000, 0.0234766300000000, -0.0123782400000000 ] - [ -0.0001381600000000, 0.0000318700000000, -0.0003179000000000 ] - [ -0.0000832800000000, -0.0036114900000000, -0.0002927300000000 ] - [ -0.0000853900000000, -0.0000455600000000, -0.0002953800000000 ] - [ -0.0007985700000000, 0.0019272700000000, -0.0001923800000000 ] - [ -0.0007834000000000, 0.0000715400000000, -0.0001731800000000 ] - [ -0.0007807200000000, -0.0011769900000000, -0.0026431200000000 ] - [ -0.0008096700000000, -0.0000555000000000, -0.0002071100000000 ] - [ -0.0007959300000000, -0.0011464600000000, 0.0022450300000000 ] - [ -0.0007632100000000, -0.0000239700000000, -0.0001644900000000 ] - [ -0.0006303600000000, 0.0000994900000000, -0.0007822300000000 ] - [ 0.0010239400000000, 0.0001531600000000, 0.0002028000000000 ] - [ 0.0022092100000000, 0.0001262700000000, 0.0011557500000000 ] - [ 0.0005476700000000, 0.0001855700000000, 0.0001720300000000 ] - [ 0.0007851400000000, -0.0003735700000000, 0.0001748100000000 ] - [ 0.0007835100000000, -0.0002554200000000, 0.0001742600000000 ] - [ -0.0014967900000000, 0.0018119900000000, 0.0003783500000000 ] - [ -0.0014928900000000, 0.0001185500000000, 0.0003693300000000 ] - [ -0.0013788800000000, -0.0008929400000000, 0.0010188500000000 ] - [ -0.0015425800000000, -0.0000812000000000, 0.0003470600000000 ] - [ -0.0016079000000000, -0.0008554400000000, -0.0002817600000000 ] - [ -0.0014427900000000, -0.0000428900000000, 0.0003882900000000 ] - [ 0.0017045000000000, 0.0002658700000000, -0.0014578000000000 ] - [ 0.0015445800000000, 0.0000441300000000, -0.0003132600000000 ] - [ 0.0012715900000000, 0.0003107000000000, 0.0007368300000000 ] - [ 0.0014434700000000, 0.0000825400000000, -0.0004218700000000 ] - [ 0.0014945000000000, -0.0007743000000000, -0.0003694100000000 ] - [ 0.0014945100000000, -0.0001243100000000, -0.0003692600000000 ] - [ -0.0015726200000000, 0.0004517800000000, -0.0022067800000000 ] - [ -0.0015732100000000, 0.0004288700000000, -0.0022206800000000 ] - [ -0.0017826400000000, -0.0002639300000000, -0.0018156300000000 ] - [ -0.0013604100000000, -0.0002530400000000, -0.0020870600000000 ] - [ -0.0013661500000000, -0.0002484200000000, -0.0026091100000000 ] - [ -0.0017862400000000, -0.0002288200000000, -0.0023444300000000 ] - [ 0.0014857100000000, 0.0001243600000000, 0.0021326600000000 ] - [ 0.0016423800000000, 0.0005781100000000, 0.0028791600000000 ] - [ 0.0016624100000000, 0.0001478700000000, 0.0023014000000000 ] - [ 0.0015125700000000, 0.0006116100000000, 0.0015507600000000 ] - [ 0.0015736300000000, -0.0002966800000000, 0.0022207900000000 ] - [ 0.0015705800000000, -0.0010749100000000, 0.0022199500000000 ] - [ -0.0031686900000000, 0.0070006400000000, -0.0024522400000000 ] - [ -0.0031237800000000, 0.0000995300000000, -0.0025194600000000 ] - [ -0.0039485500000000, -0.0016819800000000, -0.0018289500000000 ] - [ -0.0030721900000000, -0.0000642100000000, -0.0024942900000000 ] - [ -0.0023171200000000, -0.0016612000000000, -0.0031965700000000 ] - [ -0.0031874300000000, -0.0000430700000000, -0.0025310200000000 ] - [ 0.0031579500000000, 0.0005953800000000, 0.0029849400000000 ] - [ 0.0039419400000000, 0.0003568500000000, 0.0029679600000000 ] - [ 0.0030980900000000, 0.0006265600000000, 0.0020375100000000 ] - [ 0.0023170800000000, 0.0003784200000000, 0.0020558000000000 ] - [ 0.0031253200000000, -0.0007431800000000, 0.0025192500000000 ] - [ 0.0031232200000000, -0.0007265600000000, 0.0025194700000000 ] - [ 0.0009149400000000, 0.0006924400000000, 0.0002328200000000 ] - [ 0.0009075800000000, 0.0020283600000000, 0.0002358000000000 ] - [ 0.0011523000000000, -0.0004093700000000, 0.0003162500000000 ] - [ 0.0000111100000000, -0.0010910000000000, 0.0004545300000000 ] - [ 0.0006803600000000, -0.0003954300000000, 0.0001726600000000 ] - [ 0.0018230500000000, -0.0010774200000000, 0.0000328500000000 ] - [ -0.0008363000000000, 0.0060286600000000, 0.0008058200000000 ] - [ -0.0009314400000000, 0.0000422100000000, -0.0001647200000000 ] - [ -0.0007497600000000, 0.0063245400000000, -0.0012314100000000 ] - [ -0.0009011800000000, 0.0000586400000000, -0.0003239800000000 ] - [ -0.0009220500000000, -0.0033235800000000, -0.0002359500000000 ] - [ -0.0009172900000000, -0.0000901600000000, -0.0002350000000000 ] - [ -0.0007376400000000, -0.0901029800000000, 0.0010795200000000 ] - [ -0.0011729900000000, -0.0000757500000000, 0.0005691300000000 ] - [ -0.0002692100000000, 0.0166802300000000, 0.0016504600000000 ] - [ -0.0011589700000000, 0.0000473300000000, 0.0005824200000000 ] - [ -0.0020608200000000, 0.0164277400000000, -0.0005104400000000 ] - [ -0.0011690000000000, 0.0000320000000000, 0.0005548900000000 ] - [ 0.0058584000000000, -0.0010484500000000, -0.0037219600000000 ] - [ 0.0008140800000000, -0.0003489800000000, -0.0004243000000000 ] - [ -0.0035489000000000, -0.0010878900000000, 0.0026156000000000 ] - [ 0.0015162800000000, -0.0003601700000000, -0.0007122900000000 ] - [ 0.0011692000000000, 0.0019278200000000, -0.0005712000000000 ] - [ 0.0011729000000000, 0.0007207800000000, -0.0005706400000000 ] - [ -0.0013694000000000, -0.0002677500000000, -0.0013918400000000 ] - [ -0.0014025500000000, -0.0082135800000000, -0.0013834400000000 ] - [ -0.0014526300000000, 0.0001285800000000, -0.0013104900000000 ] - [ 0.0004479600000000, 0.0038460600000000, 0.0010493400000000 ] - [ -0.0012892600000000, 0.0001154500000000, -0.0014827200000000 ] - [ -0.0031719300000000, 0.0038237100000000, -0.0038401900000000 ] - [ -0.0001717900000000, -0.0011953600000000, 0.0046604200000000 ] - [ 0.0018967500000000, -0.0001724300000000, 0.0010867400000000 ] - [ 0.0029177600000000, -0.0012180600000000, -0.0018883700000000 ] - [ 0.0008434800000000, -0.0001910000000000, 0.0017081400000000 ] - [ 0.0013750300000000, 0.0017800700000000, 0.0013896700000000 ] - [ 0.0013690400000000, 0.0003700400000000, 0.0013913300000000 ] - [ -0.0018225800000000, -0.0008850900000000, -0.0012879500000000 ] - [ -0.0018334600000000, -0.0007597900000000, -0.0012720000000000 ] - [ -0.0023707100000000, 0.0005373000000000, -0.0008006800000000 ] - [ -0.0016129800000000, 0.0003736900000000, -0.0011477800000000 ] - [ -0.0012926400000000, 0.0005356700000000, -0.0017465100000000 ] - [ -0.0020484000000000, 0.0003655400000000, -0.0014060500000000 ] - [ -0.0019924900000000, -0.0005399700000000, 0.0097733500000000 ] - [ 0.0018286200000000, -0.0000605400000000, 0.0012626400000000 ] - [ 0.0056643100000000, -0.0005437800000000, -0.0072756100000000 ] - [ 0.0018306900000000, -0.0000682900000000, 0.0012905600000000 ] - [ 0.0018331400000000, 0.0022250000000000, 0.0012681300000000 ] - [ 0.0018319900000000, 0.0001360300000000, 0.0012723400000000 ] - [ -0.0005062600000000, -0.0015119900000000, -0.0004543700000000 ] - [ -0.0005088800000000, -0.0008088600000000, -0.0004553900000000 ] - [ -0.0009892300000000, 0.0007852300000000, -0.0010208200000000 ] - [ -0.0003040900000000, 0.0003677400000000, -0.0003187700000000 ] - [ -0.0000216600000000, 0.0007656300000000, 0.0001178500000000 ] - [ -0.0007097500000000, 0.0003509700000000, -0.0005834800000000 ] - [ 0.0002323300000000, -0.0007600500000000, -0.0007676700000000 ] - [ 0.0005520100000000, -0.0001082500000000, 0.0005123100000000 ] - [ 0.0007855000000000, -0.0008459600000000, 0.0016380800000000 ] - [ 0.0004592300000000, -0.0001283200000000, 0.0003879300000000 ] - [ 0.0005044300000000, 0.0023847100000000, 0.0004590400000000 ] - [ 0.0005043200000000, 0.0002432900000000, 0.0004520600000000 ]- atom: 73 displacement: [ -0.0032316847127924, 0.0000000000000000, 0.0094634144956831 ] forces: - [ -0.0038777700000000, 0.0000000000000000, 0.0075462800000000 ] - [ 0.0002251300000000, 0.0000000000000000, 0.0003859700000000 ] - [ -0.0005825800000000, -0.0000467600000000, 0.0014698200000000 ] - [ 0.0001283100000000, 0.0000347600000000, 0.0003291500000000 ] - [ -0.0005825800000000, 0.0000467600000000, 0.0014698200000000 ] - [ 0.0001283100000000, -0.0000347600000000, 0.0003291500000000 ] - [ 0.0020700400000000, 0.0068899300000000, 0.0110294600000000 ] - [ -0.0000418100000000, -0.0000184700000000, -0.0003280200000000 ] - [ 0.0020700400000000, -0.0068899300000000, 0.0110294600000000 ] - [ -0.0000418100000000, 0.0000184700000000, -0.0003280200000000 ] - [ -0.0002759600000000, 0.0000000000000000, -0.0001061500000000 ] - [ -0.0001202800000000, 0.0000000000000000, -0.0003466800000000 ] - [ 0.0049419400000000, 0.0000000000000000, 0.0366898500000000 ] - [ -0.0007493900000000, 0.0000000000000000, -0.0002396500000000 ] - [ -0.0013379600000000, -0.0013548000000000, 0.0005518900000000 ] - [ -0.0007900900000000, -0.0000293700000000, -0.0002832600000000 ] - [ -0.0013379600000000, 0.0013548000000000, 0.0005518900000000 ] - [ -0.0007900900000000, 0.0000293700000000, -0.0002832600000000 ] - [ 0.0001686800000000, -0.0000575100000000, 0.0004177500000000 ] - [ 0.0011894400000000, -0.0000318200000000, -0.0002291200000000 ] - [ 0.0001686800000000, 0.0000575100000000, 0.0004177500000000 ] - [ 0.0011894400000000, 0.0000318200000000, -0.0002291200000000 ] - [ 0.0005487100000000, 0.0000000000000000, 0.0002144300000000 ] - [ 0.0007565500000000, 0.0000000000000000, -0.0002744600000000 ] - [ -0.0021501400000000, 0.0000000000000000, -0.0017962300000000 ] - [ -0.0015229400000000, 0.0000000000000000, 0.0002973200000000 ] - [ -0.0020292300000000, 0.0005833700000000, -0.0004736700000000 ] - [ -0.0017787100000000, -0.0000602800000000, 0.0003018500000000 ] - [ -0.0020292300000000, -0.0005833700000000, -0.0004736700000000 ] - [ -0.0017787100000000, 0.0000602800000000, 0.0003018500000000 ] - [ 0.0028193200000000, 0.0004983800000000, -0.0028062600000000 ] - [ 0.0014587000000000, -0.0000296500000000, -0.0003231200000000 ] - [ 0.0028193200000000, -0.0004983800000000, -0.0028062600000000 ] - [ 0.0014587000000000, 0.0000296500000000, -0.0003231200000000 ] - [ 0.0018678600000000, 0.0000000000000000, -0.0005972600000000 ] - [ 0.0014224600000000, 0.0000000000000000, -0.0003116000000000 ] - [ -0.0007816200000000, 0.0000000000000000, -0.0062424700000000 ] - [ -0.0017608800000000, 0.0000000000000000, -0.0022137100000000 ] - [ -0.0015596300000000, -0.0008295000000000, -0.0037255800000000 ] - [ -0.0017436600000000, 0.0000010400000000, -0.0022034100000000 ] - [ -0.0015596300000000, 0.0008295000000000, -0.0037255800000000 ] - [ -0.0017436600000000, -0.0000010400000000, -0.0022034100000000 ] - [ 0.0015193400000000, -0.0000844800000000, 0.0018818900000000 ] - [ 0.0002481300000000, 0.0012701100000000, 0.0013012200000000 ] - [ 0.0015193400000000, 0.0000844800000000, 0.0018818900000000 ] - [ 0.0002481300000000, -0.0012701100000000, 0.0013012200000000 ] - [ 0.0014241500000000, 0.0000000000000000, 0.0020455000000000 ] - [ 0.0013856400000000, 0.0000000000000000, 0.0023057400000000 ] - [ -0.0098608100000000, 0.0000000000000000, 0.0140471400000000 ] - [ -0.0030680200000000, 0.0000000000000000, -0.0024779300000000 ] - [ -0.0026621900000000, 0.0011124300000000, -0.0024200400000000 ] - [ -0.0031801100000000, -0.0000138800000000, -0.0025153600000000 ] - [ -0.0026621900000000, -0.0011124300000000, -0.0024200400000000 ] - [ -0.0031801100000000, 0.0000138800000000, -0.0025153600000000 ] - [ 0.0039469800000000, 0.0012349800000000, 0.0025218100000000 ] - [ 0.0031319300000000, 0.0001384100000000, 0.0027134100000000 ] - [ 0.0039469800000000, -0.0012349800000000, 0.0025218100000000 ] - [ 0.0031319300000000, -0.0001384100000000, 0.0027134100000000 ] - [ 0.0029309900000000, 0.0000000000000000, 0.0023843200000000 ] - [ 0.0034028300000000, 0.0000000000000000, 0.0027086700000000 ] - [ 0.0019073900000000, 0.0000000000000000, 0.0009644500000000 ] - [ 0.0018948800000000, 0.0000000000000000, 0.0011702100000000 ] - [ 0.0011255400000000, -0.0002782800000000, 0.0003436300000000 ] - [ 0.0008996500000000, -0.0000152600000000, 0.0005041800000000 ] - [ 0.0011255400000000, 0.0002782800000000, 0.0003436300000000 ] - [ 0.0008996500000000, 0.0000152600000000, 0.0005041800000000 ] - [ -0.0037615600000000, 0.0024548700000000, 0.0037077300000000 ] - [ -0.0008388000000000, 0.0000624700000000, -0.0002178200000000 ] - [ -0.0037615600000000, -0.0024548700000000, 0.0037077300000000 ] - [ -0.0008388000000000, -0.0000624700000000, -0.0002178200000000 ] - [ -0.0002684900000000, 0.0000000000000000, 0.0003383900000000 ] - [ -0.0008665400000000, 0.0000000000000000, -0.0002183400000000 ] - [ 0.0060689200000000, 0.0000000000000000, -0.0965762200000000 ] - [ -0.0012893000000000, 0.0000000000000000, 0.0006466200000000 ] - [ -0.0023288300000000, -0.0007542200000000, -0.0029678100000000 ] - [ -0.0012213200000000, -0.0000037000000000, 0.0006220900000000 ] - [ -0.0023288300000000, 0.0007542200000000, -0.0029678100000000 ] - [ -0.0012213200000000, 0.0000037000000000, 0.0006220900000000 ] - [ 0.0022829300000000, -0.0045107900000000, -0.0053183800000000 ] - [ 0.0009475300000000, 0.0002557200000000, -0.0005829000000000 ] - [ 0.0022829300000000, 0.0045107900000000, -0.0053183800000000 ] - [ 0.0009475300000000, -0.0002557200000000, -0.0005829000000000 ] - [ 0.0018284400000000, 0.0000000000000000, -0.0006704400000000 ] - [ 0.0010235300000000, 0.0000000000000000, -0.0002269400000000 ] - [ -0.0018144900000000, 0.0000000000000000, -0.0010805000000000 ] - [ 0.0042665400000000, 0.0000000000000000, -0.0050910600000000 ] - [ -0.0015841700000000, 0.0003145500000000, -0.0013037300000000 ] - [ -0.0014198900000000, -0.0000745100000000, -0.0023250700000000 ] - [ -0.0015841700000000, -0.0003145500000000, -0.0013037300000000 ] - [ -0.0014198900000000, 0.0000745100000000, -0.0023250700000000 ] - [ -0.0029530800000000, 0.0032971700000000, 0.0006675800000000 ] - [ 0.0014961900000000, -0.0003070100000000, 0.0008815400000000 ] - [ -0.0029530800000000, -0.0032971700000000, 0.0006675800000000 ] - [ 0.0014961900000000, 0.0003070100000000, 0.0008815400000000 ] - [ 0.0001001200000000, 0.0000000000000000, 0.0020123800000000 ] - [ 0.0015081000000000, 0.0000000000000000, 0.0011436400000000 ] - [ -0.0051210600000000, 0.0000000000000000, 0.0048115000000000 ] - [ -0.0017728000000000, 0.0000000000000000, -0.0013907800000000 ] - [ -0.0017800700000000, 0.0006334200000000, -0.0009472100000000 ] - [ -0.0017666100000000, 0.0000831400000000, -0.0014541500000000 ] - [ -0.0017800700000000, -0.0006334200000000, -0.0009472100000000 ] - [ -0.0017666100000000, -0.0000831400000000, -0.0014541500000000 ] - [ 0.0047328400000000, 0.0066713000000000, 0.0092359100000000 ] - [ 0.0018889400000000, 0.0000388100000000, 0.0012915900000000 ] - [ 0.0047328400000000, -0.0066713000000000, 0.0092359100000000 ] - [ 0.0018889400000000, -0.0000388100000000, 0.0012915900000000 ] - [ 0.0019360800000000, 0.0000000000000000, 0.0021092400000000 ] - [ 0.0019692100000000, 0.0000000000000000, 0.0012975400000000 ] - [ 0.0003880700000000, 0.0000000000000000, -0.0000880700000000 ] - [ -0.0006876600000000, 0.0000000000000000, 0.0007062700000000 ] - [ 0.0000726800000000, -0.0000118100000000, -0.0002656400000000 ] - [ -0.0003055600000000, 0.0004056000000000, 0.0002144900000000 ] - [ 0.0000726800000000, 0.0000118100000000, -0.0002656400000000 ] - [ -0.0003055600000000, -0.0004056000000000, 0.0002144900000000 ] - [ -0.0002511600000000, -0.0059782200000000, 0.0074877300000000 ] - [ 0.0005680200000000, -0.0000038500000000, 0.0005199300000000 ] - [ -0.0002511600000000, 0.0059782200000000, 0.0074877300000000 ] - [ 0.0005680200000000, 0.0000038500000000, 0.0005199300000000 ] - [ -0.0000077600000000, 0.0000000000000000, 0.0009732300000000 ] - [ 0.0006420100000000, 0.0000000000000000, 0.0005416200000000 ]- atom: 73 displacement: [ 0.0032316847127924, 0.0000000000000000, -0.0094634144956831 ] forces: - [ 0.0035545000000000, 0.0000000000000000, -0.0067004600000000 ] - [ -0.0000275400000000, 0.0000000000000000, 0.0002163600000000 ] - [ 0.0007765200000000, 0.0000167900000000, -0.0008697600000000 ] - [ 0.0000631200000000, -0.0000583400000000, 0.0002669600000000 ] - [ 0.0007765200000000, -0.0000167900000000, -0.0008697600000000 ] - [ 0.0000631200000000, 0.0000583400000000, 0.0002669600000000 ] - [ -0.0022975900000000, -0.0069719400000000, -0.0115734100000000 ] - [ -0.0001510800000000, -0.0000043200000000, -0.0002690500000000 ] - [ -0.0022975900000000, 0.0069719400000000, -0.0115734100000000 ] - [ -0.0001510800000000, 0.0000043200000000, -0.0002690500000000 ] - [ 0.0000772100000000, 0.0000000000000000, -0.0005005600000000 ] - [ -0.0000793500000000, 0.0000000000000000, -0.0002571700000000 ] - [ -0.0061334000000000, 0.0000000000000000, -0.0352868700000000 ] - [ -0.0008387900000000, 0.0000000000000000, -0.0001068300000000 ] - [ -0.0002601400000000, 0.0013115800000000, -0.0009177400000000 ] - [ -0.0008040700000000, -0.0000020300000000, -0.0000887900000000 ] - [ -0.0002601400000000, -0.0013115800000000, -0.0009177400000000 ] - [ -0.0008040700000000, 0.0000020300000000, -0.0000887900000000 ] - [ 0.0014189100000000, 0.0000274000000000, -0.0000489400000000 ] - [ 0.0003999700000000, 0.0000007000000000, 0.0006004800000000 ] - [ 0.0014189100000000, -0.0000274000000000, -0.0000489400000000 ] - [ 0.0003999700000000, -0.0000007000000000, 0.0006004800000000 ] - [ 0.0010373300000000, 0.0000000000000000, 0.0001314100000000 ] - [ 0.0008303100000000, 0.0000000000000000, 0.0006186800000000 ] - [ -0.0008350000000000, 0.0000000000000000, 0.0025404600000000 ] - [ -0.0014745900000000, 0.0000000000000000, 0.0004423900000000 ] - [ -0.0009577000000000, -0.0006327500000000, 0.0012176100000000 ] - [ -0.0012183600000000, 0.0000210700000000, 0.0004338500000000 ] - [ -0.0009577000000000, 0.0006327500000000, 0.0012176100000000 ] - [ -0.0012183600000000, -0.0000210700000000, 0.0004338500000000 ] - [ 0.0001887000000000, -0.0005262600000000, 0.0020763200000000 ] - [ 0.0015357500000000, -0.0000089200000000, -0.0004121300000000 ] - [ 0.0001887000000000, 0.0005262600000000, 0.0020763200000000 ] - [ 0.0015357500000000, 0.0000089200000000, -0.0004121300000000 ] - [ 0.0011284900000000, 0.0000000000000000, -0.0001421700000000 ] - [ 0.0015723400000000, 0.0000000000000000, -0.0004273500000000 ] - [ -0.0023758900000000, 0.0000000000000000, 0.0018217100000000 ] - [ -0.0014006700000000, 0.0000000000000000, -0.0022245300000000 ] - [ -0.0016026200000000, 0.0007971300000000, -0.0007060800000000 ] - [ -0.0014190500000000, -0.0000243200000000, -0.0022264200000000 ] - [ -0.0016026200000000, -0.0007971300000000, -0.0007060800000000 ] - [ -0.0014190500000000, 0.0000243200000000, -0.0022264200000000 ] - [ 0.0016429500000000, 0.0000611700000000, 0.0025474900000000 ] - [ 0.0029043500000000, -0.0012843900000000, 0.0031196100000000 ] - [ 0.0016429500000000, -0.0000611700000000, 0.0025474900000000 ] - [ 0.0029043500000000, 0.0012843900000000, 0.0031196100000000 ] - [ 0.0017370300000000, 0.0000000000000000, 0.0023918100000000 ] - [ 0.0017718800000000, 0.0000000000000000, 0.0021369200000000 ] - [ 0.0041603700000000, 0.0000000000000000, -0.0200618600000000 ] - [ -0.0031794000000000, 0.0000000000000000, -0.0025744500000000 ] - [ -0.0035889500000000, -0.0011395500000000, -0.0026256700000000 ] - [ -0.0030801800000000, -0.0000075500000000, -0.0025237900000000 ] - [ -0.0035889500000000, 0.0011395500000000, -0.0026256700000000 ] - [ -0.0030801800000000, 0.0000075500000000, -0.0025237900000000 ] - [ 0.0023099000000000, -0.0012641100000000, 0.0025187900000000 ] - [ 0.0031305300000000, -0.0001578100000000, 0.0023267000000000 ] - [ 0.0023099000000000, 0.0012641100000000, 0.0025187900000000 ] - [ 0.0031305300000000, 0.0001578100000000, 0.0023267000000000 ] - [ 0.0033186100000000, 0.0000000000000000, 0.0026707300000000 ] - [ 0.0028461400000000, 0.0000000000000000, 0.0023432900000000 ] - [ -0.0000646800000000, 0.0000000000000000, -0.0004887000000000 ] - [ -0.0000638800000000, 0.0000000000000000, -0.0007001500000000 ] - [ 0.0007116200000000, 0.0002619900000000, 0.0001496700000000 ] - [ 0.0009377000000000, -0.0000048800000000, -0.0000171200000000 ] - [ 0.0007116200000000, -0.0002619900000000, 0.0001496700000000 ] - [ 0.0009377000000000, 0.0000048800000000, -0.0000171200000000 ] - [ 0.0019060300000000, -0.0024845800000000, -0.0041282800000000 ] - [ -0.0009980400000000, -0.0000784400000000, -0.0002747200000000 ] - [ 0.0019060300000000, 0.0024845800000000, -0.0041282800000000 ] - [ -0.0009980400000000, 0.0000784400000000, -0.0002747200000000 ] - [ -0.0015675800000000, 0.0000000000000000, -0.0008109100000000 ] - [ -0.0009724100000000, 0.0000000000000000, -0.0002549200000000 ] - [ -0.0086874500000000, 0.0000000000000000, 0.0966431700000000 ] - [ -0.0010610500000000, 0.0000000000000000, 0.0004969300000000 ] - [ -0.0000065600000000, 0.0007121100000000, 0.0040888600000000 ] - [ -0.0011102400000000, 0.0000191200000000, 0.0005203200000000 ] - [ -0.0000065600000000, -0.0007121100000000, 0.0040888600000000 ] - [ -0.0011102400000000, -0.0000191200000000, 0.0005203200000000 ] - [ 0.0000534900000000, 0.0045258700000000, 0.0041696700000000 ] - [ 0.0013873900000000, -0.0002434100000000, -0.0005560400000000 ] - [ 0.0000534900000000, -0.0045258700000000, 0.0041696700000000 ] - [ 0.0013873900000000, 0.0002434100000000, -0.0005560400000000 ] - [ 0.0005262000000000, 0.0000000000000000, -0.0004797400000000 ] - [ 0.0013291100000000, 0.0000000000000000, -0.0009146900000000 ] - [ -0.0009138200000000, 0.0000000000000000, -0.0017045700000000 ] - [ -0.0069919800000000, 0.0000000000000000, 0.0022423500000000 ] - [ -0.0011466800000000, -0.0003009300000000, -0.0014924900000000 ] - [ -0.0013132900000000, 0.0000824400000000, -0.0004940300000000 ] - [ -0.0011466800000000, 0.0003009300000000, -0.0014924900000000 ] - [ -0.0013132900000000, -0.0000824400000000, -0.0004940300000000 ] - [ 0.0057145100000000, -0.0033146000000000, 0.0021480000000000 ] - [ 0.0012380300000000, 0.0003228600000000, 0.0019133700000000 ] - [ 0.0057145100000000, 0.0033146000000000, 0.0021480000000000 ] - [ 0.0012380300000000, -0.0003228600000000, 0.0019133700000000 ] - [ 0.0026293000000000, 0.0000000000000000, 0.0007781700000000 ] - [ 0.0012231000000000, 0.0000000000000000, 0.0016416600000000 ] - [ 0.0014326700000000, 0.0000000000000000, -0.0073682700000000 ] - [ -0.0018996600000000, 0.0000000000000000, -0.0011589900000000 ] - [ -0.0018919800000000, -0.0006236500000000, -0.0016188600000000 ] - [ -0.0019001300000000, -0.0000753700000000, -0.0011053000000000 ] - [ -0.0018919800000000, 0.0006236500000000, -0.0016188600000000 ] - [ -0.0019001300000000, 0.0000753700000000, -0.0011053000000000 ] - [ -0.0011249200000000, -0.0067684600000000, -0.0067697000000000 ] - [ 0.0017792300000000, -0.0000311900000000, 0.0012670200000000 ] - [ -0.0011249200000000, 0.0067684600000000, -0.0067697000000000 ] - [ 0.0017792300000000, 0.0000311900000000, 0.0012670200000000 ] - [ 0.0017313400000000, 0.0000000000000000, 0.0004502700000000 ] - [ 0.0017039800000000, 0.0000000000000000, 0.0012523100000000 ] - [ -0.0013946100000000, 0.0000000000000000, -0.0008178800000000 ] - [ -0.0003111400000000, 0.0000000000000000, -0.0016178200000000 ] - [ -0.0010797200000000, 0.0000292000000000, -0.0006356200000000 ] - [ -0.0006965700000000, -0.0003823300000000, -0.0011201300000000 ] - [ -0.0010797200000000, -0.0000292000000000, -0.0006356200000000 ] - [ -0.0006965700000000, 0.0003823300000000, -0.0011201300000000 ] - [ 0.0012607900000000, 0.0059765100000000, -0.0065423600000000 ] - [ 0.0004359800000000, 0.0000236100000000, 0.0003881600000000 ] - [ 0.0012607900000000, -0.0059765100000000, -0.0065423600000000 ] - [ 0.0004359800000000, -0.0000236100000000, 0.0003881600000000 ] - [ 0.0010085800000000, 0.0000000000000000, -0.0000630300000000 ] - [ 0.0003592300000000, 0.0000000000000000, 0.0003704800000000 ]- atom: 85 displacement: [ 0.0099999949782129, 0.0000000000000000, -0.0000100217621775 ] forces: - [ -0.0014249700000000, 0.0000000000000000, 0.0012993500000000 ] - [ -0.0017756800000000, 0.0000000000000000, -0.0001155000000000 ] - [ -0.0007434900000000, -0.0008621700000000, 0.0011826400000000 ] - [ -0.0004547600000000, 0.0001478900000000, 0.0002906000000000 ] - [ -0.0007434900000000, 0.0008621700000000, 0.0011826400000000 ] - [ -0.0004547600000000, -0.0001478900000000, 0.0002906000000000 ] - [ -0.0007321900000000, 0.0001367800000000, -0.0001399600000000 ] - [ -0.0009791000000000, -0.0007786800000000, -0.0009807900000000 ] - [ -0.0007321900000000, -0.0001367800000000, -0.0001399600000000 ] - [ -0.0009791000000000, 0.0007786800000000, -0.0009807900000000 ] - [ -0.0002834300000000, 0.0000000000000000, -0.0001400200000000 ] - [ -0.0004734600000000, 0.0000000000000000, -0.0004272000000000 ] - [ -0.0013946000000000, 0.0000000000000000, -0.0003630200000000 ] - [ 0.0155749200000000, 0.0000000000000000, 0.0014353600000000 ] - [ -0.0012903600000000, -0.0000349400000000, -0.0003139600000000 ] - [ -0.0002412800000000, 0.0012234900000000, 0.0003052200000000 ] - [ -0.0012903600000000, 0.0000349400000000, -0.0003139600000000 ] - [ -0.0002412800000000, -0.0012234900000000, 0.0003052200000000 ] - [ 0.0011408300000000, 0.0004370600000000, 0.0020783000000000 ] - [ 0.0002371800000000, -0.0000217800000000, -0.0002729600000000 ] - [ 0.0011408300000000, -0.0004370600000000, 0.0020783000000000 ] - [ 0.0002371800000000, 0.0000217800000000, -0.0002729600000000 ] - [ 0.0013454200000000, 0.0000000000000000, 0.0010877700000000 ] - [ 0.0003339400000000, 0.0000000000000000, -0.0001515800000000 ] - [ -0.0008767500000000, 0.0000000000000000, -0.0010107500000000 ] - [ -0.0022604100000000, 0.0000000000000000, 0.0003148500000000 ] - [ -0.0005187700000000, -0.0002415900000000, -0.0002389200000000 ] - [ -0.0022763400000000, 0.0001105700000000, 0.0002248100000000 ] - [ -0.0005187700000000, 0.0002415900000000, -0.0002389200000000 ] - [ -0.0022763400000000, -0.0001105700000000, 0.0002248100000000 ] - [ -0.0003875800000000, 0.0004657100000000, -0.0016585100000000 ] - [ 0.0003185200000000, -0.0005588400000000, -0.0001032100000000 ] - [ -0.0003875800000000, -0.0004657100000000, -0.0016585100000000 ] - [ 0.0003185200000000, 0.0005588400000000, -0.0001032100000000 ] - [ 0.0001369200000000, 0.0000000000000000, -0.0013712400000000 ] - [ 0.0012843700000000, 0.0000000000000000, -0.0004538400000000 ] - [ -0.0022457000000000, 0.0000000000000000, -0.0026021000000000 ] - [ -0.0005212200000000, 0.0000000000000000, 0.0005981400000000 ] - [ -0.0021931300000000, -0.0000462300000000, -0.0025589600000000 ] - [ -0.0007840600000000, 0.0003409700000000, -0.0008713000000000 ] - [ -0.0021931300000000, 0.0000462300000000, -0.0025589600000000 ] - [ -0.0007840600000000, -0.0003409700000000, -0.0008713000000000 ] - [ 0.0057091300000000, -0.0001397000000000, 0.0017905300000000 ] - [ 0.0009561100000000, 0.0000013000000000, 0.0020165700000000 ] - [ 0.0057091300000000, 0.0001397000000000, 0.0017905300000000 ] - [ 0.0009561100000000, -0.0000013000000000, 0.0020165700000000 ] - [ 0.0022266000000000, 0.0000000000000000, 0.0028845000000000 ] - [ 0.0010489700000000, 0.0000000000000000, 0.0020323100000000 ] - [ -0.0037611700000000, 0.0000000000000000, -0.0027979900000000 ] - [ -0.0024169500000000, 0.0000000000000000, -0.0031527500000000 ] - [ -0.0036583200000000, -0.0001130500000000, -0.0027960600000000 ] - [ -0.0027046100000000, 0.0005152500000000, -0.0029422800000000 ] - [ -0.0036583200000000, 0.0001130500000000, -0.0027960600000000 ] - [ -0.0027046100000000, -0.0005152500000000, -0.0029422800000000 ] - [ 0.0095945700000000, -0.0000657400000000, 0.0028780100000000 ] - [ 0.0022950000000000, -0.0001668500000000, 0.0022652400000000 ] - [ 0.0095945700000000, 0.0000657400000000, 0.0028780100000000 ] - [ 0.0022950000000000, 0.0001668500000000, 0.0022652400000000 ] - [ 0.0046226800000000, 0.0000000000000000, 0.0031435300000000 ] - [ 0.0024163700000000, 0.0000000000000000, 0.0022528600000000 ] - [ 0.0106989600000000, 0.0000000000000000, -0.0031893800000000 ] - [ 0.0001074500000000, 0.0000000000000000, -0.0001552700000000 ] - [ 0.0031919300000000, -0.0005066000000000, 0.0016202500000000 ] - [ 0.0002570500000000, 0.0000560300000000, -0.0000531700000000 ] - [ 0.0031919300000000, 0.0005066000000000, 0.0016202500000000 ] - [ 0.0002570500000000, -0.0000560300000000, -0.0000531700000000 ] - [ -0.0015344800000000, 0.0000075200000000, -0.0004988800000000 ] - [ 0.0078622800000000, 0.0029943400000000, 0.0041463700000000 ] - [ -0.0015344800000000, -0.0000075200000000, -0.0004988800000000 ] - [ 0.0078622800000000, -0.0029943400000000, 0.0041463700000000 ] - [ -0.0014978500000000, 0.0000000000000000, -0.0004816700000000 ] - [ 0.0000901500000000, 0.0000000000000000, 0.0002165300000000 ] - [ 0.0002552900000000, 0.0000000000000000, 0.0005764000000000 ] - [ 0.0080433500000000, 0.0000000000000000, 0.0096071300000000 ] - [ -0.0000689500000000, 0.0000896700000000, 0.0007076100000000 ] - [ 0.0006319500000000, -0.0018001000000000, 0.0011157600000000 ] - [ -0.0000689500000000, -0.0000896700000000, 0.0007076100000000 ] - [ 0.0006319500000000, 0.0018001000000000, 0.0011157600000000 ] - [ 0.0031870000000000, -0.0015380300000000, -0.0044644700000000 ] - [ 0.0025570200000000, 0.0005321300000000, 0.0000464100000000 ] - [ 0.0031870000000000, 0.0015380300000000, -0.0044644700000000 ] - [ 0.0025570200000000, -0.0005321300000000, 0.0000464100000000 ] - [ 0.0001334300000000, 0.0000000000000000, -0.0022616200000000 ] - [ 0.0021509600000000, 0.0000000000000000, -0.0000815000000000 ] - [ -0.0733528800000000, 0.0000000000000000, -0.0064749600000000 ] - [ -0.0003112200000000, 0.0000000000000000, -0.0012594100000000 ] - [ -0.0088599800000000, -0.0005944100000000, -0.0035974800000000 ] - [ -0.0003939100000000, -0.0000227900000000, -0.0012091700000000 ] - [ -0.0088599800000000, 0.0005944100000000, -0.0035974800000000 ] - [ -0.0003939100000000, 0.0000227900000000, -0.0012091700000000 ] - [ 0.0022863000000000, 0.0000283700000000, 0.0018358500000000 ] - [ -0.0033574300000000, -0.0025450900000000, 0.0005120900000000 ] - [ 0.0022863000000000, -0.0000283700000000, 0.0018358500000000 ] - [ -0.0033574300000000, 0.0025450900000000, 0.0005120900000000 ] - [ 0.0021861300000000, 0.0000000000000000, 0.0018113600000000 ] - [ -0.0001236700000000, 0.0000000000000000, 0.0004842600000000 ] - [ 0.0084766900000000, 0.0000000000000000, 0.0043209600000000 ] - [ -0.0001558800000000, 0.0000000000000000, -0.0013123900000000 ] - [ 0.0004775500000000, 0.0036223600000000, 0.0009487900000000 ] - [ -0.0010067600000000, -0.0004140100000000, -0.0008584600000000 ] - [ 0.0004775500000000, -0.0036223600000000, 0.0009487900000000 ] - [ -0.0010067600000000, 0.0004140100000000, -0.0008584600000000 ] - [ 0.0020947800000000, -0.0003821300000000, 0.0020262500000000 ] - [ 0.0022345800000000, 0.0001778400000000, 0.0015364500000000 ] - [ 0.0020947800000000, 0.0003821300000000, 0.0020262500000000 ] - [ 0.0022345800000000, -0.0001778400000000, 0.0015364500000000 ] - [ 0.0019132800000000, 0.0000000000000000, 0.0019387500000000 ] - [ 0.0021613700000000, 0.0000000000000000, 0.0015444900000000 ] - [ -0.0029063200000000, 0.0000000000000000, -0.0021437000000000 ] - [ 0.0005698000000000, 0.0000000000000000, -0.0000671000000000 ] - [ -0.0016151700000000, 0.0000502900000000, -0.0016594000000000 ] - [ 0.0005260300000000, -0.0000366300000000, -0.0001237400000000 ] - [ -0.0016151700000000, -0.0000502900000000, -0.0016594000000000 ] - [ 0.0005260300000000, 0.0000366300000000, -0.0001237400000000 ] - [ 0.0021434800000000, -0.0000460700000000, 0.0006409900000000 ] - [ 0.0000176900000000, 0.0057782400000000, -0.0055634100000000 ] - [ 0.0021434800000000, 0.0000460700000000, 0.0006409900000000 ] - [ 0.0000176900000000, -0.0057782400000000, -0.0055634100000000 ] - [ 0.0018910600000000, 0.0000000000000000, 0.0006528200000000 ] - [ 0.0002773600000000, 0.0000000000000000, -0.0007157200000000 ]- atom: 85 displacement: [ -0.0099999949782129, 0.0000000000000000, 0.0000100217621775 ] forces: - [ 0.0016217100000000, 0.0000000000000000, -0.0006869700000000 ] - [ 0.0019876400000000, 0.0000000000000000, 0.0007212900000000 ] - [ 0.0009400200000000, 0.0008399800000000, -0.0005847000000000 ] - [ 0.0006457600000000, -0.0001729600000000, 0.0003074000000000 ] - [ 0.0009400200000000, -0.0008399800000000, -0.0005847000000000 ] - [ 0.0006457600000000, 0.0001729600000000, 0.0003074000000000 ] - [ 0.0005372500000000, -0.0001585100000000, -0.0004571500000000 ] - [ 0.0007844000000000, 0.0007624600000000, 0.0003858000000000 ] - [ 0.0005372500000000, 0.0001585100000000, -0.0004571500000000 ] - [ 0.0007844000000000, -0.0007624600000000, 0.0003858000000000 ] - [ 0.0000834600000000, 0.0000000000000000, -0.0004642600000000 ] - [ 0.0002683800000000, 0.0000000000000000, -0.0001812600000000 ] - [ -0.0001875300000000, 0.0000000000000000, 0.0000171900000000 ] - [ -0.0181943200000000, 0.0000000000000000, -0.0015273300000000 ] - [ -0.0002979900000000, 0.0000029700000000, -0.0000568000000000 ] - [ -0.0013552100000000, -0.0012637000000000, -0.0006744900000000 ] - [ -0.0002979900000000, -0.0000029700000000, -0.0000568000000000 ] - [ -0.0013552100000000, 0.0012637000000000, -0.0006744900000000 ] - [ 0.0004473500000000, -0.0004750800000000, -0.0016934300000000 ] - [ 0.0013504900000000, -0.0000094400000000, 0.0006443000000000 ] - [ 0.0004473500000000, 0.0004750800000000, -0.0016934300000000 ] - [ 0.0013504900000000, 0.0000094400000000, 0.0006443000000000 ] - [ 0.0002289000000000, 0.0000000000000000, -0.0007244900000000 ] - [ 0.0012464400000000, 0.0000000000000000, 0.0004972600000000 ] - [ -0.0021149200000000, 0.0000000000000000, 0.0017418400000000 ] - [ -0.0007364000000000, 0.0000000000000000, 0.0004257800000000 ] - [ -0.0024701500000000, 0.0002005700000000, 0.0009734600000000 ] - [ -0.0007203600000000, -0.0001510200000000, 0.0005117300000000 ] - [ -0.0024701500000000, -0.0002005700000000, 0.0009734600000000 ] - [ -0.0007203600000000, 0.0001510200000000, 0.0005117300000000 ] - [ 0.0033704300000000, -0.0004983000000000, 0.0009126400000000 ] - [ 0.0026788500000000, 0.0005216800000000, -0.0006381200000000 ] - [ 0.0033704300000000, 0.0004983000000000, 0.0009126400000000 ] - [ 0.0026788500000000, -0.0005216800000000, -0.0006381200000000 ] - [ 0.0028631700000000, 0.0000000000000000, 0.0006284300000000 ] - [ 0.0017096100000000, 0.0000000000000000, -0.0002906100000000 ] - [ -0.0009106100000000, 0.0000000000000000, -0.0018344500000000 ] - [ -0.0026410200000000, 0.0000000000000000, -0.0050511700000000 ] - [ -0.0009640000000000, 0.0000212900000000, -0.0018686800000000 ] - [ -0.0023775300000000, -0.0003735500000000, -0.0035646800000000 ] - [ -0.0009640000000000, -0.0000212900000000, -0.0018686800000000 ] - [ -0.0023775300000000, 0.0003735500000000, -0.0035646800000000 ] - [ -0.0025694100000000, 0.0000854800000000, 0.0026814600000000 ] - [ 0.0021990700000000, -0.0000244600000000, 0.0024107100000000 ] - [ -0.0025694100000000, -0.0000854800000000, 0.0026814600000000 ] - [ 0.0021990700000000, 0.0000244600000000, 0.0024107100000000 ] - [ 0.0009267800000000, 0.0000000000000000, 0.0015488100000000 ] - [ 0.0021053800000000, 0.0000000000000000, 0.0024035000000000 ] - [ -0.0024887100000000, 0.0000000000000000, -0.0022502200000000 ] - [ -0.0038332800000000, 0.0000000000000000, -0.0018946200000000 ] - [ -0.0026038600000000, 0.0000905900000000, -0.0022389000000000 ] - [ -0.0035575500000000, -0.0005334800000000, -0.0021010100000000 ] - [ -0.0026038600000000, -0.0000905900000000, -0.0022389000000000 ] - [ -0.0035575500000000, 0.0005334800000000, -0.0021010100000000 ] - [ -0.0029901000000000, -0.0002293700000000, 0.0022172600000000 ] - [ 0.0039669100000000, 0.0001473700000000, 0.0027689600000000 ] - [ -0.0029901000000000, 0.0002293700000000, 0.0022172600000000 ] - [ 0.0039669100000000, -0.0001473700000000, 0.0027689600000000 ] - [ 0.0016298600000000, 0.0000000000000000, 0.0019058900000000 ] - [ 0.0038317500000000, 0.0000000000000000, 0.0027948100000000 ] - [ -0.0086811600000000, 0.0000000000000000, 0.0033872100000000 ] - [ 0.0017369000000000, 0.0000000000000000, 0.0006337500000000 ] - [ -0.0013515200000000, 0.0004790500000000, -0.0011114600000000 ] - [ 0.0015840100000000, -0.0000729600000000, 0.0005499100000000 ] - [ -0.0013515200000000, -0.0004790500000000, -0.0011114600000000 ] - [ 0.0015840100000000, 0.0000729600000000, 0.0005499100000000 ] - [ -0.0003071200000000, -0.0000235500000000, 0.0000011700000000 ] - [ -0.0097931700000000, -0.0031748100000000, -0.0047674100000000 ] - [ -0.0003071200000000, 0.0000235500000000, 0.0000011700000000 ] - [ -0.0097931700000000, 0.0031748100000000, -0.0047674100000000 ] - [ -0.0003459700000000, 0.0000000000000000, 0.0000039200000000 ] - [ -0.0019328800000000, 0.0000000000000000, -0.0006917000000000 ] - [ -0.0025981100000000, 0.0000000000000000, 0.0005566300000000 ] - [ -0.0105001900000000, 0.0000000000000000, -0.0086286900000000 ] - [ -0.0022567700000000, -0.0000734400000000, 0.0004254000000000 ] - [ -0.0029386000000000, 0.0018147400000000, 0.0000097300000000 ] - [ -0.0022567700000000, 0.0000734400000000, 0.0004254000000000 ] - [ -0.0029386000000000, -0.0018147400000000, 0.0000097300000000 ] - [ -0.0008619300000000, 0.0015584100000000, 0.0033074900000000 ] - [ -0.0002330700000000, -0.0005213600000000, -0.0011825900000000 ] - [ -0.0008619300000000, -0.0015584100000000, 0.0033074900000000 ] - [ -0.0002330700000000, 0.0005213600000000, -0.0011825900000000 ] - [ 0.0022138800000000, 0.0000000000000000, 0.0011207900000000 ] - [ 0.0001973300000000, 0.0000000000000000, -0.0010531800000000 ] - [ 0.0709826700000000, 0.0000000000000000, 0.0038487700000000 ] - [ -0.0024188500000000, 0.0000000000000000, -0.0015309100000000 ] - [ 0.0060904900000000, 0.0005754800000000, 0.0007939700000000 ] - [ -0.0023382000000000, 0.0000390500000000, -0.0015924600000000 ] - [ 0.0060904900000000, -0.0005754800000000, 0.0007939700000000 ] - [ -0.0023382000000000, -0.0000390500000000, -0.0015924600000000 ] - [ 0.0004471400000000, -0.0000137300000000, 0.0009657300000000 ] - [ 0.0060891500000000, 0.0025595800000000, 0.0022908800000000 ] - [ 0.0004471400000000, 0.0000137300000000, 0.0009657300000000 ] - [ 0.0060891500000000, -0.0025595800000000, 0.0022908800000000 ] - [ 0.0005453600000000, 0.0000000000000000, 0.0009798000000000 ] - [ 0.0028476000000000, 0.0000000000000000, 0.0023038900000000 ] - [ -0.0119919800000000, 0.0000000000000000, -0.0067995100000000 ] - [ -0.0035212500000000, 0.0000000000000000, -0.0012377500000000 ] - [ -0.0041310500000000, -0.0035955600000000, -0.0035113500000000 ] - [ -0.0026630200000000, 0.0004238200000000, -0.0017048800000000 ] - [ -0.0041310500000000, 0.0035955600000000, -0.0035113500000000 ] - [ -0.0026630200000000, -0.0004238200000000, -0.0017048800000000 ] - [ 0.0015747300000000, 0.0003870500000000, 0.0005418400000000 ] - [ 0.0014388100000000, -0.0001740400000000, 0.0010315700000000 ] - [ 0.0015747300000000, -0.0003870500000000, 0.0005418400000000 ] - [ 0.0014388100000000, 0.0001740400000000, 0.0010315700000000 ] - [ 0.0017625700000000, 0.0000000000000000, 0.0006177100000000 ] - [ 0.0015198700000000, 0.0000000000000000, 0.0010195400000000 ] - [ 0.0018894600000000, 0.0000000000000000, 0.0011764300000000 ] - [ -0.0015815400000000, 0.0000000000000000, -0.0008604900000000 ] - [ 0.0005957100000000, -0.0000515400000000, 0.0007198600000000 ] - [ -0.0015395800000000, 0.0000567700000000, -0.0007991800000000 ] - [ 0.0005957100000000, 0.0000515400000000, 0.0007198600000000 ] - [ -0.0015395800000000, -0.0000567700000000, -0.0007991800000000 ] - [ -0.0011230800000000, 0.0000643200000000, 0.0002812900000000 ] - [ 0.0010122700000000, -0.0058181700000000, 0.0065421800000000 ] - [ -0.0011230800000000, -0.0000643200000000, 0.0002812900000000 ] - [ 0.0010122700000000, 0.0058181700000000, 0.0065421800000000 ] - [ -0.0008779700000000, 0.0000000000000000, 0.0002747500000000 ] - [ 0.0007388000000000, 0.0000000000000000, 0.0016447200000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000946900000000, 0.0017034700000000, 0.0003030400000000 ] - [ 0.0000963700000000, 0.0000846300000000, 0.0002954600000000 ] - [ -0.0008192100000000, -0.0008959800000000, 0.0010623500000000 ] - [ 0.0005928800000000, -0.0000993200000000, 0.0002579400000000 ] - [ 0.0010094100000000, -0.0008749700000000, -0.0004741900000000 ] - [ -0.0004029200000000, -0.0000762200000000, 0.0003313200000000 ] - [ 0.0003544200000000, 0.0001857200000000, -0.0002122300000000 ] - [ -0.0011559300000000, 0.0006541800000000, -0.0006044500000000 ] - [ -0.0005434500000000, 0.0002070800000000, -0.0003769300000000 ] - [ 0.0009761600000000, 0.0006730300000000, 0.0000210100000000 ] - [ -0.0000971200000000, -0.0004093300000000, -0.0002982100000000 ] - [ -0.0000965600000000, -0.0013910400000000, -0.0002968500000000 ] - [ -0.0007760800000000, 0.0001133600000000, -0.0001732600000000 ] - [ -0.0007673100000000, 0.0066862500000000, -0.0001527300000000 ] - [ -0.0008966400000000, -0.0000719000000000, -0.0002504500000000 ] - [ 0.0003227400000000, -0.0012506400000000, -0.0012190000000000 ] - [ -0.0006617400000000, -0.0000398300000000, -0.0001219000000000 ] - [ -0.0018798000000000, -0.0012232200000000, 0.0008368200000000 ] - [ 0.0008141700000000, 0.0010758400000000, 0.0013941300000000 ] - [ 0.0005792300000000, 0.0000155400000000, 0.0000485500000000 ] - [ 0.0007452200000000, 0.0011076700000000, -0.0010346000000000 ] - [ 0.0009812500000000, 0.0000474900000000, 0.0003245500000000 ] - [ 0.0007742500000000, -0.0018512800000000, 0.0001782800000000 ] - [ 0.0007765300000000, -0.0000608400000000, 0.0001743300000000 ] - [ -0.0015023800000000, 0.0009997000000000, 0.0003673500000000 ] - [ -0.0015006000000000, 0.0002715400000000, 0.0003700400000000 ] - [ -0.0022175400000000, -0.0005336200000000, -0.0003664200000000 ] - [ -0.0014807400000000, -0.0001304400000000, 0.0002837500000000 ] - [ -0.0007836900000000, -0.0004933000000000, 0.0010992800000000 ] - [ -0.0015211000000000, -0.0000901800000000, 0.0004525200000000 ] - [ 0.0023681900000000, 0.0006526700000000, 0.0002504800000000 ] - [ 0.0009039300000000, 0.0002092800000000, -0.0004061700000000 ] - [ 0.0006286900000000, 0.0006853200000000, -0.0009877900000000 ] - [ 0.0020933700000000, 0.0002505900000000, -0.0003234900000000 ] - [ 0.0015050800000000, -0.0014512700000000, -0.0003668300000000 ] - [ 0.0015014300000000, -0.0003638700000000, -0.0003693900000000 ] - [ -0.0015785500000000, 0.0002285200000000, -0.0022164500000000 ] - [ -0.0015760600000000, 0.0021129500000000, -0.0022160100000000 ] - [ -0.0016036300000000, -0.0001260400000000, -0.0022130000000000 ] - [ -0.0011548900000000, -0.0011487700000000, -0.0023702700000000 ] - [ -0.0015547800000000, -0.0001014300000000, -0.0022105700000000 ] - [ -0.0020057200000000, -0.0011263300000000, -0.0020548200000000 ] - [ 0.0009914300000000, 0.0045489800000000, 0.0046776400000000 ] - [ 0.0016642700000000, 0.0000348600000000, 0.0022376200000000 ] - [ 0.0021379600000000, 0.0048148700000000, -0.0000404800000000 ] - [ 0.0014948100000000, 0.0000581900000000, 0.0021876600000000 ] - [ 0.0015788400000000, -0.0027784600000000, 0.0022119900000000 ] - [ 0.0015791000000000, -0.0000927800000000, 0.0022164400000000 ] - [ -0.0031099100000000, 0.0002922800000000, -0.0025173700000000 ] - [ -0.0031060700000000, 0.0023840900000000, -0.0025051800000000 ] - [ -0.0031573400000000, -0.0001574600000000, -0.0024821300000000 ] - [ -0.0027308900000000, -0.0009926300000000, -0.0016272900000000 ] - [ -0.0030747500000000, -0.0001352400000000, -0.0025392400000000 ] - [ -0.0035012800000000, -0.0009720400000000, -0.0033968400000000 ] - [ 0.0037944300000000, 0.0059106700000000, 0.0039541200000000 ] - [ 0.0030746700000000, 0.0000537100000000, 0.0025514000000000 ] - [ 0.0026962400000000, 0.0062151100000000, 0.0011118500000000 ] - [ 0.0031574300000000, 0.0000752900000000, 0.0024696200000000 ] - [ 0.0031070400000000, -0.0029182400000000, 0.0025163100000000 ] - [ 0.0031098600000000, -0.0001435300000000, 0.0025173500000000 ] - [ 0.0009219100000000, 0.0052164700000000, 0.0002482300000000 ] - [ 0.0009148600000000, 0.0001053400000000, 0.0002389200000000 ] - [ 0.0003354700000000, -0.0014214400000000, 0.0009811000000000 ] - [ 0.0009572900000000, -0.0000642700000000, 0.0002766600000000 ] - [ 0.0014881800000000, -0.0014072500000000, -0.0004843200000000 ] - [ 0.0008702500000000, -0.0000480600000000, 0.0002202900000000 ] - [ -0.0008809900000000, 0.0000495800000000, -0.0002293900000000 ] - [ 0.0025398100000000, 0.0109902900000000, 0.0048253400000000 ] - [ -0.0009461700000000, 0.0000660900000000, -0.0002687100000000 ] - [ -0.0046338900000000, 0.0114250700000000, -0.0056600600000000 ] - [ -0.0009149200000000, -0.0001181700000000, -0.0002389900000000 ] - [ -0.0009148400000000, -0.0037346300000000, -0.0002382500000000 ] - [ -0.0011587500000000, -0.0002676900000000, 0.0005776600000000 ] - [ -0.0011600300000000, -0.0082133100000000, 0.0005958100000000 ] - [ -0.0007157200000000, 0.0001302100000000, 0.0004016700000000 ] - [ -0.0044256700000000, 0.0038499700000000, -0.0004610800000000 ] - [ -0.0015847000000000, 0.0001138000000000, 0.0007552000000000 ] - [ 0.0021177000000000, 0.0038194900000000, 0.0016070300000000 ] - [ -0.0004263900000000, -0.0011920400000000, 0.0023743400000000 ] - [ 0.0014953800000000, -0.0001732800000000, -0.0007906200000000 ] - [ 0.0027135200000000, -0.0012210200000000, -0.0035393900000000 ] - [ 0.0008000500000000, -0.0001902500000000, -0.0003625500000000 ] - [ 0.0011609900000000, 0.0017797900000000, -0.0005794500000000 ] - [ 0.0011582600000000, 0.0003700400000000, -0.0005784100000000 ] - [ -0.0013509600000000, -0.0681468800000000, -0.0013208400000000 ] - [ -0.0013609200000000, -0.0001213900000000, -0.0013903100000000 ] - [ -0.0007726000000000, 0.0154448400000000, -0.0005636900000000 ] - [ -0.0013313400000000, 0.0000731600000000, -0.0014138500000000 ] - [ -0.0019436200000000, 0.0152070800000000, -0.0022178400000000 ] - [ -0.0013932700000000, 0.0000571700000000, -0.0013788700000000 ] - [ 0.0013828700000000, -0.0000768000000000, 0.0013467900000000 ] - [ -0.0011704000000000, -0.0012332900000000, 0.0045165800000000 ] - [ 0.0013402600000000, -0.0000915300000000, 0.0014456800000000 ] - [ 0.0039276800000000, -0.0012656400000000, -0.0017357600000000 ] - [ 0.0013605100000000, 0.0001694000000000, 0.0013910700000000 ] - [ 0.0013636300000000, 0.0022644100000000, 0.0013875000000000 ] - [ -0.0018597900000000, -0.0094418300000000, -0.0012742100000000 ] - [ -0.0018434700000000, -0.0003729800000000, -0.0012747800000000 ] - [ 0.0008128200000000, 0.0043787500000000, 0.0006403500000000 ] - [ -0.0020190900000000, 0.0001852700000000, -0.0011343600000000 ] - [ -0.0044931300000000, 0.0043610000000000, -0.0031970500000000 ] - [ -0.0016675900000000, 0.0001791900000000, -0.0014220600000000 ] - [ 0.0016701200000000, -0.0004887500000000, 0.0008831900000000 ] - [ 0.0019603300000000, -0.0005627400000000, 0.0016604500000000 ] - [ 0.0020166400000000, -0.0004945200000000, 0.0016750300000000 ] - [ 0.0017262600000000, -0.0005630000000000, 0.0008870700000000 ] - [ 0.0018471100000000, 0.0009767000000000, 0.0012724600000000 ] - [ 0.0018477400000000, 0.0010837900000000, 0.0012750200000000 ] - [ -0.0005048200000000, -0.0091911600000000, -0.0004614900000000 ] - [ -0.0005048900000000, -0.0002399800000000, -0.0004598300000000 ] - [ -0.0003097100000000, 0.0043815400000000, 0.0025175700000000 ] - [ -0.0004855300000000, 0.0001271900000000, -0.0004900100000000 ] - [ -0.0006980100000000, 0.0043570300000000, -0.0034237700000000 ] - [ -0.0005267200000000, 0.0001075000000000, -0.0004243900000000 ] - [ 0.0000146800000000, -0.0000982900000000, 0.0004911100000000 ] - [ 0.0049361300000000, -0.0018121500000000, 0.0002602600000000 ] - [ 0.0009974700000000, -0.0001165300000000, 0.0004217200000000 ] - [ -0.0039334100000000, -0.0018623700000000, 0.0006405100000000 ] - [ 0.0005016000000000, 0.0002106300000000, 0.0004586700000000 ] - [ 0.0005043300000000, 0.0023977200000000, 0.0004624100000000 ]- atom: 85 displacement: [ -0.0032316847127924, 0.0000000000000000, 0.0094634144956831 ] forces: - [ 0.0010646800000000, 0.0000000000000000, 0.0010132700000000 ] - [ 0.0011796900000000, 0.0000000000000000, 0.0011613600000000 ] - [ 0.0001902900000000, 0.0002812100000000, 0.0007439100000000 ] - [ -0.0000606300000000, -0.0000889700000000, 0.0005821200000000 ] - [ 0.0001902900000000, -0.0002812100000000, 0.0007439100000000 ] - [ -0.0000606300000000, 0.0000889700000000, 0.0005821200000000 ] - [ 0.0002178200000000, -0.0000430400000000, -0.0006650800000000 ] - [ -0.0009371300000000, 0.0000816700000000, -0.0007719300000000 ] - [ 0.0002178200000000, 0.0000430400000000, -0.0006650800000000 ] - [ -0.0009371300000000, -0.0000816700000000, -0.0007719300000000 ] - [ -0.0000921600000000, 0.0000000000000000, -0.0004677100000000 ] - [ -0.0005761300000000, 0.0000000000000000, -0.0009008500000000 ] - [ -0.0005715900000000, 0.0000000000000000, -0.0001008000000000 ] - [ -0.0078097600000000, 0.0000000000000000, 0.0059058500000000 ] - [ -0.0007040700000000, -0.0000113800000000, -0.0001979100000000 ] - [ -0.0008902400000000, -0.0009026300000000, 0.0020870700000000 ] - [ -0.0007040700000000, 0.0000113800000000, -0.0001979100000000 ] - [ -0.0008902400000000, 0.0009026300000000, 0.0020870700000000 ] - [ 0.0019819200000000, -0.0004027100000000, -0.0038964600000000 ] - [ 0.0006415200000000, -0.0000122900000000, 0.0002421400000000 ] - [ 0.0019819200000000, 0.0004027100000000, -0.0038964600000000 ] - [ 0.0006415200000000, 0.0000122900000000, 0.0002421400000000 ] - [ 0.0013062100000000, 0.0000000000000000, -0.0019617800000000 ] - [ 0.0007026400000000, 0.0000000000000000, 0.0001797500000000 ] - [ -0.0032687400000000, 0.0000000000000000, -0.0002129100000000 ] - [ -0.0015299500000000, 0.0000000000000000, -0.0000596000000000 ] - [ -0.0026077400000000, -0.0002270800000000, 0.0003014200000000 ] - [ -0.0015289500000000, -0.0000775800000000, 0.0000282000000000 ] - [ -0.0026077400000000, 0.0002270800000000, 0.0003014200000000 ] - [ -0.0015289500000000, 0.0000775800000000, 0.0000282000000000 ] - [ 0.0016211700000000, -0.0000115300000000, 0.0000959500000000 ] - [ 0.0029485500000000, 0.0002501100000000, -0.0008093100000000 ] - [ 0.0016211700000000, 0.0000115300000000, 0.0000959500000000 ] - [ 0.0029485500000000, -0.0002501100000000, -0.0008093100000000 ] - [ 0.0016346100000000, 0.0000000000000000, 0.0001580900000000 ] - [ 0.0017850700000000, 0.0000000000000000, -0.0005031800000000 ] - [ -0.0015697700000000, 0.0000000000000000, -0.0021466100000000 ] - [ -0.0009450500000000, 0.0000000000000000, -0.0052254400000000 ] - [ -0.0015785500000000, -0.0000063600000000, -0.0021495600000000 ] - [ -0.0009903800000000, -0.0007289000000000, -0.0038230000000000 ] - [ -0.0015785500000000, 0.0000063600000000, -0.0021495600000000 ] - [ -0.0009903800000000, 0.0007289000000000, -0.0038230000000000 ] - [ 0.0012678800000000, 0.0011874900000000, 0.0050411000000000 ] - [ 0.0016116700000000, -0.0000271300000000, 0.0021763900000000 ] - [ 0.0012678800000000, -0.0011874900000000, 0.0050411000000000 ] - [ 0.0016116700000000, 0.0000271300000000, 0.0021763900000000 ] - [ 0.0017615200000000, 0.0000000000000000, 0.0026871300000000 ] - [ 0.0015832700000000, 0.0000000000000000, 0.0021833800000000 ] - [ -0.0033345200000000, 0.0000000000000000, -0.0026948900000000 ] - [ -0.0038807900000000, 0.0000000000000000, -0.0034597000000000 ] - [ -0.0033450500000000, -0.0000249300000000, -0.0026185100000000 ] - [ -0.0031621500000000, 0.0002903200000000, -0.0028386600000000 ] - [ -0.0033450500000000, 0.0000249300000000, -0.0026185100000000 ] - [ -0.0031621500000000, -0.0002903200000000, -0.0028386600000000 ] - [ 0.0001204800000000, 0.0009758600000000, 0.0051729000000000 ] - [ 0.0033302300000000, 0.0001177700000000, 0.0025933400000000 ] - [ 0.0001204800000000, -0.0009758600000000, 0.0051729000000000 ] - [ 0.0033302300000000, -0.0001177700000000, 0.0025933400000000 ] - [ 0.0032513700000000, 0.0000000000000000, 0.0027289100000000 ] - [ 0.0032137800000000, 0.0000000000000000, 0.0025748000000000 ] - [ -0.0066569700000000, 0.0000000000000000, 0.0145740800000000 ] - [ 0.0010867800000000, 0.0000000000000000, 0.0003458000000000 ] - [ 0.0013505600000000, 0.0010711200000000, 0.0000621900000000 ] - [ 0.0009596100000000, -0.0000533100000000, 0.0002734100000000 ] - [ 0.0013505600000000, -0.0010711200000000, 0.0000621900000000 ] - [ 0.0009596100000000, 0.0000533100000000, 0.0002734100000000 ] - [ -0.0008638300000000, -0.0000184900000000, -0.0002615900000000 ] - [ 0.0002675700000000, 0.0041937500000000, 0.0081974200000000 ] - [ -0.0008638300000000, 0.0000184900000000, -0.0002615900000000 ] - [ 0.0002675700000000, -0.0041937500000000, 0.0081974200000000 ] - [ -0.0009026900000000, 0.0000000000000000, -0.0002701100000000 ] - [ -0.0007656600000000, 0.0000000000000000, 0.0002274700000000 ] - [ -0.0016223600000000, 0.0000000000000000, 0.0008839700000000 ] - [ 0.0043141400000000, 0.0000000000000000, -0.0031409900000000 ] - [ -0.0013219700000000, -0.0000996200000000, 0.0006870700000000 ] - [ 0.0009438600000000, -0.0017224200000000, 0.0003838500000000 ] - [ -0.0013219700000000, 0.0000996200000000, 0.0006870700000000 ] - [ 0.0009438600000000, 0.0017224200000000, 0.0003838500000000 ] - [ -0.0022204700000000, 0.0035872500000000, -0.0009739000000000 ] - [ 0.0012848100000000, -0.0004560400000000, -0.0010897500000000 ] - [ -0.0022204700000000, -0.0035872500000000, -0.0009739000000000 ] - [ 0.0012848100000000, 0.0004560400000000, -0.0010897500000000 ] - [ 0.0006672300000000, 0.0000000000000000, 0.0003049800000000 ] - [ 0.0014419700000000, 0.0000000000000000, -0.0007779400000000 ] - [ 0.0170741100000000, 0.0000000000000000, -0.0566494800000000 ] - [ -0.0015767000000000, 0.0000000000000000, -0.0012895300000000 ] - [ -0.0010298900000000, -0.0006030200000000, -0.0077075000000000 ] - [ -0.0014987300000000, 0.0000346700000000, -0.0013434900000000 ] - [ -0.0010298900000000, 0.0006030200000000, -0.0077075000000000 ] - [ -0.0014987300000000, -0.0000346700000000, -0.0013434900000000 ] - [ 0.0014811900000000, -0.0000459700000000, 0.0012680400000000 ] - [ 0.0020432100000000, 0.0037719500000000, 0.0065435700000000 ] - [ 0.0014811900000000, 0.0000459700000000, 0.0012680400000000 ] - [ 0.0020432100000000, -0.0037719500000000, 0.0065435700000000 ] - [ 0.0014938000000000, 0.0000000000000000, 0.0012985700000000 ] - [ 0.0009836900000000, 0.0000000000000000, 0.0030347500000000 ] - [ -0.0006937900000000, 0.0000000000000000, -0.0033604700000000 ] - [ -0.0027377400000000, 0.0000000000000000, -0.0011046300000000 ] - [ -0.0018842400000000, -0.0001433100000000, -0.0018997100000000 ] - [ -0.0021236300000000, 0.0003744200000000, -0.0014168400000000 ] - [ -0.0018842400000000, 0.0001433100000000, -0.0018997100000000 ] - [ -0.0021236300000000, -0.0003744200000000, -0.0014168400000000 ] - [ 0.0024419000000000, -0.0003171800000000, 0.0016803400000000 ] - [ 0.0019248100000000, 0.0003619400000000, 0.0025616000000000 ] - [ 0.0024419000000000, 0.0003171800000000, 0.0016803400000000 ] - [ 0.0019248100000000, -0.0003619400000000, 0.0025616000000000 ] - [ 0.0023088700000000, 0.0000000000000000, 0.0013096400000000 ] - [ 0.0018675800000000, 0.0000000000000000, 0.0021077900000000 ] - [ -0.0007108000000000, 0.0000000000000000, 0.0105585700000000 ] - [ -0.0004855800000000, 0.0000000000000000, -0.0004338000000000 ] - [ -0.0002140000000000, 0.0030735500000000, 0.0037550000000000 ] - [ -0.0004572300000000, 0.0000100500000000, -0.0004247400000000 ] - [ -0.0002140000000000, -0.0030735500000000, 0.0037550000000000 ] - [ -0.0004572300000000, -0.0000100500000000, -0.0004247400000000 ] - [ 0.0004096900000000, 0.0000612900000000, 0.0004060000000000 ] - [ -0.0041682300000000, -0.0027466200000000, 0.0033497200000000 ] - [ 0.0004096900000000, -0.0000612900000000, 0.0004060000000000 ] - [ -0.0041682300000000, 0.0027466200000000, 0.0033497200000000 ] - [ 0.0003864600000000, 0.0000000000000000, 0.0004366700000000 ] - [ -0.0002799900000000, 0.0000000000000000, 0.0003959400000000 ]- atom: 85 displacement: [ 0.0032316847127924, 0.0000000000000000, -0.0094634144956831 ] forces: - [ -0.0008798700000000, 0.0000000000000000, -0.0004264900000000 ] - [ -0.0009872400000000, 0.0000000000000000, -0.0005641800000000 ] - [ -0.0000026400000000, -0.0003080600000000, -0.0001625500000000 ] - [ 0.0002467700000000, 0.0000659200000000, 0.0000118000000000 ] - [ -0.0000026400000000, 0.0003080600000000, -0.0001625500000000 ] - [ 0.0002467700000000, -0.0000659200000000, 0.0000118000000000 ] - [ -0.0004074000000000, 0.0000210900000000, 0.0000719000000000 ] - [ 0.0007529200000000, -0.0001028600000000, 0.0001796600000000 ] - [ -0.0004074000000000, -0.0000210900000000, 0.0000719000000000 ] - [ 0.0007529200000000, 0.0001028600000000, 0.0001796600000000 ] - [ -0.0001004500000000, 0.0000000000000000, -0.0001326900000000 ] - [ 0.0003830900000000, 0.0000000000000000, 0.0003009000000000 ] - [ -0.0010074400000000, 0.0000000000000000, -0.0002487400000000 ] - [ 0.0059218600000000, 0.0000000000000000, -0.0061334000000000 ] - [ -0.0008797900000000, -0.0000202000000000, -0.0001755000000000 ] - [ -0.0006847700000000, 0.0008612200000000, -0.0024555100000000 ] - [ -0.0008797900000000, 0.0000202000000000, -0.0001755000000000 ] - [ -0.0006847700000000, -0.0008612200000000, -0.0024555100000000 ] - [ -0.0004034100000000, 0.0003812700000000, 0.0042651800000000 ] - [ 0.0009426300000000, -0.0000193000000000, 0.0001303600000000 ] - [ -0.0004034100000000, -0.0003812700000000, 0.0042651800000000 ] - [ 0.0009426300000000, 0.0000193000000000, 0.0001303600000000 ] - [ 0.0002677800000000, 0.0000000000000000, 0.0023128200000000 ] - [ 0.0008750200000000, 0.0000000000000000, 0.0001684700000000 ] - [ 0.0002578200000000, 0.0000000000000000, 0.0009507600000000 ] - [ -0.0014619900000000, 0.0000000000000000, 0.0008009500000000 ] - [ -0.0003941600000000, 0.0001847200000000, 0.0004355100000000 ] - [ -0.0014628500000000, 0.0000381400000000, 0.0007084300000000 ] - [ -0.0003941600000000, -0.0001847200000000, 0.0004355100000000 ] - [ -0.0014628500000000, -0.0000381400000000, 0.0007084300000000 ] - [ 0.0013795200000000, -0.0000274400000000, -0.0008236400000000 ] - [ 0.0000480300000000, -0.0002901200000000, 0.0000733800000000 ] - [ 0.0013795200000000, 0.0000274400000000, -0.0008236400000000 ] - [ 0.0000480300000000, 0.0002901200000000, 0.0000733800000000 ] - [ 0.0013675000000000, 0.0000000000000000, -0.0008923300000000 ] - [ 0.0012115500000000, 0.0000000000000000, -0.0002392900000000 ] - [ -0.0015836700000000, 0.0000000000000000, -0.0022911800000000 ] - [ -0.0022030900000000, 0.0000000000000000, 0.0007962800000000 ] - [ -0.0015764300000000, -0.0000176900000000, -0.0022797700000000 ] - [ -0.0021655300000000, 0.0007002600000000, -0.0006072700000000 ] - [ -0.0015764300000000, 0.0000176900000000, -0.0022797700000000 ] - [ -0.0021655300000000, -0.0007002600000000, -0.0006072700000000 ] - [ 0.0018283600000000, -0.0014266000000000, -0.0003026300000000 ] - [ 0.0015451500000000, 0.0000038000000000, 0.0022537100000000 ] - [ 0.0018283600000000, 0.0014266000000000, -0.0003026300000000 ] - [ 0.0015451500000000, -0.0000038000000000, 0.0022537100000000 ] - [ 0.0013935300000000, 0.0000000000000000, 0.0017559800000000 ] - [ 0.0015718000000000, 0.0000000000000000, 0.0022552600000000 ] - [ -0.0029161600000000, 0.0000000000000000, -0.0023514000000000 ] - [ -0.0023585300000000, 0.0000000000000000, -0.0015925300000000 ] - [ -0.0029175400000000, 0.0000026900000000, -0.0024146200000000 ] - [ -0.0030933000000000, -0.0003113800000000, -0.0022016900000000 ] - [ -0.0029175400000000, -0.0000026900000000, -0.0024146200000000 ] - [ -0.0030933000000000, 0.0003113800000000, -0.0022016900000000 ] - [ 0.0061766700000000, -0.0010350800000000, -0.0001069900000000 ] - [ 0.0029301500000000, -0.0001391200000000, 0.0024392900000000 ] - [ 0.0061766700000000, 0.0010350800000000, -0.0001069900000000 ] - [ 0.0029301500000000, 0.0001391200000000, 0.0024392900000000 ] - [ 0.0029941500000000, 0.0000000000000000, 0.0023157500000000 ] - [ 0.0030341000000000, 0.0000000000000000, 0.0024714900000000 ] - [ 0.0090546700000000, 0.0000000000000000, -0.0149785800000000 ] - [ 0.0007527800000000, 0.0000000000000000, 0.0001300900000000 ] - [ 0.0004864900000000, -0.0010962200000000, 0.0004267400000000 ] - [ 0.0008781600000000, 0.0000368900000000, 0.0002217500000000 ] - [ 0.0004864900000000, 0.0010962200000000, 0.0004267400000000 ] - [ 0.0008781600000000, -0.0000368900000000, 0.0002217500000000 ] - [ -0.0009750900000000, 0.0000023000000000, -0.0002345900000000 ] - [ -0.0022363100000000, -0.0044008600000000, -0.0087701500000000 ] - [ -0.0009750900000000, -0.0000023000000000, -0.0002345900000000 ] - [ -0.0022363100000000, 0.0044008600000000, -0.0087701500000000 ] - [ -0.0009383100000000, 0.0000000000000000, -0.0002061600000000 ] - [ -0.0010729800000000, 0.0000000000000000, -0.0007024700000000 ] - [ -0.0007205400000000, 0.0000000000000000, 0.0002549300000000 ] - [ -0.0066449900000000, 0.0000000000000000, 0.0042896100000000 ] - [ -0.0010039900000000, 0.0001167500000000, 0.0004523500000000 ] - [ -0.0032576400000000, 0.0017349300000000, 0.0007385200000000 ] - [ -0.0010039900000000, -0.0001167500000000, 0.0004523500000000 ] - [ -0.0032576400000000, -0.0017349300000000, 0.0007385200000000 ] - [ 0.0045721000000000, -0.0036091600000000, -0.0001280800000000 ] - [ 0.0010415800000000, 0.0004724900000000, -0.0000478900000000 ] - [ 0.0045721000000000, 0.0036091600000000, -0.0001280800000000 ] - [ 0.0010415800000000, -0.0004724900000000, -0.0000478900000000 ] - [ 0.0016816400000000, 0.0000000000000000, -0.0014408400000000 ] - [ 0.0009036900000000, 0.0000000000000000, -0.0003615600000000 ] - [ -0.0196926100000000, 0.0000000000000000, 0.0540646300000000 ] - [ -0.0011589900000000, 0.0000000000000000, -0.0014966400000000 ] - [ -0.0016990200000000, 0.0005843300000000, 0.0048787600000000 ] - [ -0.0012398700000000, -0.0000188300000000, -0.0014537200000000 ] - [ -0.0016990200000000, -0.0005843300000000, 0.0048787600000000 ] - [ -0.0012398700000000, 0.0000188300000000, -0.0014537200000000 ] - [ 0.0012578700000000, 0.0000610400000000, 0.0015280500000000 ] - [ 0.0006689400000000, -0.0037938700000000, -0.0037668900000000 ] - [ 0.0012578700000000, -0.0000610400000000, 0.0015280500000000 ] - [ 0.0006689400000000, 0.0037938700000000, -0.0037668900000000 ] - [ 0.0012434800000000, 0.0000000000000000, 0.0014879500000000 ] - [ 0.0017480500000000, 0.0000000000000000, -0.0002488500000000 ] - [ -0.0030140500000000, 0.0000000000000000, 0.0007847600000000 ] - [ -0.0009277800000000, 0.0000000000000000, -0.0014434600000000 ] - [ -0.0017897700000000, 0.0001325800000000, -0.0006721900000000 ] - [ -0.0015416100000000, -0.0003675300000000, -0.0011394100000000 ] - [ -0.0017897700000000, -0.0001325800000000, -0.0006721900000000 ] - [ -0.0015416100000000, 0.0003675300000000, -0.0011394100000000 ] - [ 0.0012299000000000, 0.0003210200000000, 0.0008740800000000 ] - [ 0.0017379300000000, -0.0003584600000000, -0.0000060100000000 ] - [ 0.0012299000000000, -0.0003210200000000, 0.0008740800000000 ] - [ 0.0017379300000000, 0.0003584600000000, -0.0000060100000000 ] - [ 0.0013655300000000, 0.0000000000000000, 0.0012362100000000 ] - [ 0.0018035000000000, 0.0000000000000000, 0.0004446800000000 ] - [ -0.0003063800000000, 0.0000000000000000, -0.0113423600000000 ] - [ -0.0005283600000000, 0.0000000000000000, -0.0004798800000000 ] - [ -0.0008005800000000, -0.0030330600000000, -0.0046507900000000 ] - [ -0.0005584900000000, 0.0000096200000000, -0.0004846200000000 ] - [ -0.0008005800000000, 0.0030330600000000, -0.0046507900000000 ] - [ -0.0005584900000000, -0.0000096200000000, -0.0004846200000000 ] - [ 0.0005997700000000, -0.0000427700000000, 0.0005056800000000 ] - [ 0.0051483200000000, 0.0027682800000000, -0.0024347600000000 ] - [ 0.0005997700000000, 0.0000427700000000, 0.0005056800000000 ] - [ 0.0051483200000000, -0.0027682800000000, -0.0024347600000000 ] - [ 0.0006213500000000, 0.0000000000000000, 0.0004780000000000 ] - [ 0.0012883600000000, 0.0000000000000000, 0.0005217600000000 ]- atom: 97 displacement: [ 0.0099999949782129, 0.0000000000000000, -0.0000100217621775 ] forces: - [ 0.0173228600000000, 0.0000000000000000, -0.0194944200000000 ] - [ -0.0006304000000000, 0.0000000000000000, 0.0002128400000000 ] - [ 0.0022473000000000, -0.0003965700000000, 0.0004441600000000 ] - [ -0.0005777800000000, -0.0000175100000000, 0.0001995600000000 ] - [ 0.0022473000000000, 0.0003965700000000, 0.0004441600000000 ] - [ -0.0005777800000000, 0.0000175100000000, 0.0001995600000000 ] - [ 0.0008222500000000, 0.0006167400000000, 0.0002358500000000 ] - [ -0.0008038000000000, -0.0000605900000000, -0.0005002200000000 ] - [ 0.0008222500000000, -0.0006167400000000, 0.0002358500000000 ] - [ -0.0008038000000000, 0.0000605900000000, -0.0005002200000000 ] - [ 0.0004566200000000, 0.0000000000000000, -0.0002441900000000 ] - [ -0.0007083500000000, 0.0000000000000000, -0.0004818700000000 ] - [ -0.0025111000000000, 0.0000000000000000, 0.0006579300000000 ] - [ -0.0014881500000000, 0.0000000000000000, -0.0003258300000000 ] - [ -0.0012379000000000, -0.0006679900000000, 0.0005019900000000 ] - [ -0.0014006000000000, 0.0002584700000000, -0.0003357900000000 ] - [ -0.0012379000000000, 0.0006679900000000, 0.0005019900000000 ] - [ -0.0014006000000000, -0.0002584700000000, -0.0003357900000000 ] - [ 0.0007794900000000, -0.0005331500000000, 0.0012633200000000 ] - [ 0.0003025700000000, 0.0001207700000000, -0.0002671700000000 ] - [ 0.0007794900000000, 0.0005331500000000, 0.0012633200000000 ] - [ 0.0003025700000000, -0.0001207700000000, -0.0002671700000000 ] - [ 0.0012635700000000, 0.0000000000000000, 0.0005134100000000 ] - [ 0.0003181800000000, 0.0000000000000000, -0.0002886500000000 ] - [ 0.0090234600000000, 0.0000000000000000, -0.0091323800000000 ] - [ -0.0025292900000000, 0.0000000000000000, 0.0001224200000000 ] - [ 0.0009821000000000, -0.0001171100000000, 0.0005286300000000 ] - [ -0.0023950300000000, -0.0000237100000000, 0.0001196000000000 ] - [ 0.0009821000000000, 0.0001171100000000, 0.0005286300000000 ] - [ -0.0023950300000000, 0.0000237100000000, 0.0001196000000000 ] - [ 0.0170238700000000, -0.0134097500000000, 0.0079152900000000 ] - [ 0.0005454800000000, -0.0000381500000000, -0.0005473200000000 ] - [ 0.0170238700000000, 0.0134097500000000, 0.0079152900000000 ] - [ 0.0005454800000000, 0.0000381500000000, -0.0005473200000000 ] - [ 0.0031257600000000, 0.0000000000000000, 0.0003713000000000 ] - [ 0.0007869400000000, 0.0000000000000000, -0.0005545200000000 ] - [ -0.0027246000000000, 0.0000000000000000, -0.0032961600000000 ] - [ -0.0022090700000000, 0.0000000000000000, -0.0018928400000000 ] - [ -0.0021592900000000, -0.0006299900000000, -0.0028179900000000 ] - [ -0.0015774700000000, 0.0002286800000000, -0.0020898200000000 ] - [ -0.0021592900000000, 0.0006299900000000, -0.0028179900000000 ] - [ -0.0015774700000000, -0.0002286800000000, -0.0020898200000000 ] - [ 0.0009844000000000, -0.0007152300000000, 0.0032144000000000 ] - [ 0.0005485000000000, 0.0002227700000000, 0.0020914600000000 ] - [ 0.0009844000000000, 0.0007152300000000, 0.0032144000000000 ] - [ 0.0005485000000000, -0.0002227700000000, 0.0020914600000000 ] - [ 0.0016604700000000, 0.0000000000000000, 0.0025731100000000 ] - [ 0.0012551400000000, 0.0000000000000000, 0.0021359300000000 ] - [ -0.0020071800000000, 0.0000000000000000, -0.0024305000000000 ] - [ -0.0037585900000000, 0.0000000000000000, -0.0028168400000000 ] - [ -0.0024135500000000, -0.0000761400000000, -0.0026632200000000 ] - [ -0.0037107300000000, 0.0000523400000000, -0.0028649600000000 ] - [ -0.0024135500000000, 0.0000761400000000, -0.0026632200000000 ] - [ -0.0037107300000000, -0.0000523400000000, -0.0028649600000000 ] - [ 0.0159737700000000, 0.0068893300000000, 0.0078269500000000 ] - [ 0.0023504500000000, 0.0000471100000000, 0.0022973800000000 ] - [ 0.0159737700000000, -0.0068893300000000, 0.0078269500000000 ] - [ 0.0023504500000000, -0.0000471100000000, 0.0022973800000000 ] - [ 0.0051037300000000, 0.0000000000000000, 0.0033339600000000 ] - [ 0.0024838400000000, 0.0000000000000000, 0.0022785800000000 ] - [ 0.0019738600000000, 0.0000000000000000, -0.0001652400000000 ] - [ 0.0004790900000000, 0.0000000000000000, 0.0000847900000000 ] - [ 0.0013763000000000, 0.0004447900000000, -0.0002828900000000 ] - [ 0.0004651900000000, -0.0000657200000000, 0.0000302200000000 ] - [ 0.0013763000000000, -0.0004447900000000, -0.0002828900000000 ] - [ 0.0004651900000000, 0.0000657200000000, 0.0000302200000000 ] - [ -0.0012201600000000, 0.0003850000000000, -0.0000259900000000 ] - [ -0.0020277400000000, -0.0003805900000000, -0.0011572200000000 ] - [ -0.0012201600000000, -0.0003850000000000, -0.0000259900000000 ] - [ -0.0020277400000000, 0.0003805900000000, -0.0011572200000000 ] - [ -0.0010545100000000, 0.0000000000000000, -0.0000975200000000 ] - [ -0.0012961600000000, 0.0000000000000000, -0.0007352100000000 ] - [ 0.0007149800000000, 0.0000000000000000, -0.0022589900000000 ] - [ 0.0000865600000000, 0.0000000000000000, 0.0010662400000000 ] - [ -0.0019356100000000, 0.0005465200000000, 0.0003624900000000 ] - [ -0.0000596100000000, -0.0002095600000000, 0.0010160500000000 ] - [ -0.0019356100000000, -0.0005465200000000, 0.0003624900000000 ] - [ -0.0000596100000000, 0.0002095600000000, 0.0010160500000000 ] - [ -0.0060275200000000, -0.0038195200000000, 0.0000675100000000 ] - [ 0.0021985500000000, 0.0000065000000000, -0.0001580100000000 ] - [ -0.0060275200000000, 0.0038195200000000, 0.0000675100000000 ] - [ 0.0021985500000000, -0.0000065000000000, -0.0001580100000000 ] - [ -0.0007019600000000, 0.0000000000000000, -0.0011013600000000 ] - [ 0.0021432900000000, 0.0000000000000000, -0.0000988100000000 ] - [ 0.0088007000000000, 0.0000000000000000, 0.0032943400000000 ] - [ 0.0003280400000000, 0.0000000000000000, -0.0017697800000000 ] - [ 0.0009460600000000, -0.0026394400000000, -0.0006602300000000 ] - [ -0.0005361600000000, 0.0001847800000000, -0.0014165000000000 ] - [ 0.0009460600000000, 0.0026394400000000, -0.0006602300000000 ] - [ -0.0005361600000000, -0.0001847800000000, -0.0014165000000000 ] - [ 0.0016224300000000, -0.0001657900000000, 0.0021180200000000 ] - [ 0.0017617200000000, 0.0001228600000000, 0.0016259900000000 ] - [ 0.0016224300000000, 0.0001657900000000, 0.0021180200000000 ] - [ 0.0017617200000000, -0.0001228600000000, 0.0016259900000000 ] - [ 0.0014363300000000, 0.0000000000000000, 0.0019095000000000 ] - [ 0.0016837700000000, 0.0000000000000000, 0.0015306900000000 ] - [ -0.0800514700000000, 0.0000000000000000, -0.0001450100000000 ] - [ -0.0009233600000000, 0.0000000000000000, -0.0008292400000000 ] - [ -0.0108906500000000, 0.0005563500000000, -0.0070376600000000 ] - [ -0.0010054800000000, -0.0000010200000000, -0.0008440000000000 ] - [ -0.0108906500000000, -0.0005563500000000, -0.0070376600000000 ] - [ -0.0010054800000000, 0.0000010200000000, -0.0008440000000000 ] - [ -0.0047210800000000, 0.0034821300000000, 0.0041410300000000 ] - [ 0.0026235100000000, 0.0000264200000000, 0.0018226100000000 ] - [ -0.0047210800000000, -0.0034821300000000, 0.0041410300000000 ] - [ 0.0026235100000000, -0.0000264200000000, 0.0018226100000000 ] - [ 0.0008545600000000, 0.0000000000000000, 0.0010390600000000 ] - [ 0.0025789800000000, 0.0000000000000000, 0.0018108200000000 ] - [ 0.0033550400000000, 0.0000000000000000, -0.0030399300000000 ] - [ 0.0010123200000000, 0.0000000000000000, -0.0000244500000000 ] - [ -0.0015770700000000, -0.0010490500000000, -0.0014155700000000 ] - [ 0.0006094200000000, 0.0002034300000000, -0.0001569600000000 ] - [ -0.0015770700000000, 0.0010490500000000, -0.0014155700000000 ] - [ 0.0006094200000000, -0.0002034300000000, -0.0001569600000000 ] - [ 0.0064449300000000, -0.0016275400000000, 0.0008704900000000 ] - [ 0.0020285400000000, 0.0001943000000000, 0.0002933400000000 ] - [ 0.0064449300000000, 0.0016275400000000, 0.0008704900000000 ] - [ 0.0020285400000000, -0.0001943000000000, 0.0002933400000000 ] - [ 0.0005047100000000, 0.0000000000000000, 0.0005630100000000 ] - [ 0.0011222800000000, 0.0000000000000000, 0.0002362000000000 ]- atom: 97 displacement: [ -0.0099999949782129, 0.0000000000000000, 0.0000100217621775 ] forces: - [ -0.0170964000000000, 0.0000000000000000, 0.0195756000000000 ] - [ 0.0008043200000000, 0.0000000000000000, 0.0003803600000000 ] - [ -0.0020859000000000, 0.0003709000000000, 0.0001451500000000 ] - [ 0.0007447900000000, -0.0000053600000000, 0.0003868700000000 ] - [ -0.0020859000000000, -0.0003709000000000, 0.0001451500000000 ] - [ 0.0007447900000000, 0.0000053600000000, 0.0003868700000000 ] - [ -0.0009816600000000, -0.0006442400000000, -0.0008222000000000 ] - [ 0.0006392500000000, 0.0000381900000000, -0.0000847200000000 ] - [ -0.0009816600000000, 0.0006442400000000, -0.0008222000000000 ] - [ 0.0006392500000000, -0.0000381900000000, -0.0000847200000000 ] - [ -0.0006313600000000, 0.0000000000000000, -0.0003461700000000 ] - [ 0.0005359500000000, 0.0000000000000000, -0.0001100800000000 ] - [ 0.0009245500000000, 0.0000000000000000, -0.0009785700000000 ] - [ -0.0000621300000000, 0.0000000000000000, -0.0000185000000000 ] - [ -0.0003192100000000, 0.0006342900000000, -0.0008725500000000 ] - [ -0.0001576300000000, -0.0002941100000000, -0.0000303200000000 ] - [ -0.0003192100000000, -0.0006342900000000, -0.0008725500000000 ] - [ -0.0001576300000000, 0.0002941100000000, -0.0000303200000000 ] - [ 0.0007796600000000, 0.0005026200000000, -0.0008984600000000 ] - [ 0.0012564400000000, -0.0001528900000000, 0.0006376100000000 ] - [ 0.0007796600000000, -0.0005026200000000, -0.0008984600000000 ] - [ 0.0012564400000000, 0.0001528900000000, 0.0006376100000000 ] - [ 0.0002904900000000, 0.0000000000000000, -0.0001726900000000 ] - [ 0.0012352400000000, 0.0000000000000000, 0.0006348700000000 ] - [ -0.0120392400000000, 0.0000000000000000, 0.0100974500000000 ] - [ -0.0004609400000000, 0.0000000000000000, 0.0006160500000000 ] - [ -0.0039740100000000, 0.0000728200000000, 0.0002015100000000 ] - [ -0.0005949500000000, -0.0000151300000000, 0.0006153000000000 ] - [ -0.0039740100000000, -0.0000728200000000, 0.0002015100000000 ] - [ -0.0005949500000000, 0.0000151300000000, 0.0006153000000000 ] - [ -0.0138078800000000, 0.0129256600000000, -0.0083881300000000 ] - [ 0.0024478600000000, -0.0000000100000000, -0.0001878600000000 ] - [ -0.0138078800000000, -0.0129256600000000, -0.0083881300000000 ] - [ 0.0024478600000000, 0.0000000100000000, -0.0001878600000000 ] - [ -0.0001379000000000, 0.0000000000000000, -0.0011118500000000 ] - [ 0.0022061100000000, 0.0000000000000000, -0.0001841600000000 ] - [ -0.0004194500000000, 0.0000000000000000, -0.0011379400000000 ] - [ -0.0009454000000000, 0.0000000000000000, -0.0025461600000000 ] - [ -0.0009906700000000, 0.0006066700000000, -0.0016086900000000 ] - [ -0.0015761800000000, -0.0002541000000000, -0.0023412100000000 ] - [ -0.0009906700000000, -0.0006066700000000, -0.0016086900000000 ] - [ -0.0015761800000000, 0.0002541000000000, -0.0023412100000000 ] - [ 0.0021738300000000, 0.0007034400000000, 0.0012087100000000 ] - [ 0.0026086500000000, -0.0002454000000000, 0.0023349400000000 ] - [ 0.0021738300000000, -0.0007034400000000, 0.0012087100000000 ] - [ 0.0026086500000000, 0.0002454000000000, 0.0023349400000000 ] - [ 0.0014910400000000, 0.0000000000000000, 0.0018639800000000 ] - [ 0.0018973400000000, 0.0000000000000000, 0.0022994000000000 ] - [ -0.0042248900000000, 0.0000000000000000, -0.0026041500000000 ] - [ -0.0024716700000000, 0.0000000000000000, -0.0022180200000000 ] - [ -0.0038299900000000, 0.0000563700000000, -0.0023565900000000 ] - [ -0.0025333600000000, -0.0000742700000000, -0.0021584400000000 ] - [ -0.0038299900000000, -0.0000563700000000, -0.0023565900000000 ] - [ -0.0025333600000000, 0.0000742700000000, -0.0021584400000000 ] - [ -0.0099377600000000, -0.0072568200000000, -0.0030267500000000 ] - [ 0.0038928600000000, -0.0000676800000000, 0.0027253300000000 ] - [ -0.0099377600000000, 0.0072568200000000, -0.0030267500000000 ] - [ 0.0038928600000000, 0.0000676800000000, 0.0027253300000000 ] - [ 0.0011306700000000, 0.0000000000000000, 0.0017042900000000 ] - [ 0.0037476700000000, 0.0000000000000000, 0.0027582200000000 ] - [ -0.0001431300000000, 0.0000000000000000, 0.0006455800000000 ] - [ 0.0013499100000000, 0.0000000000000000, 0.0003945100000000 ] - [ 0.0004461800000000, -0.0004582100000000, 0.0007709000000000 ] - [ 0.0013618700000000, 0.0000487000000000, 0.0004663200000000 ] - [ 0.0004461800000000, 0.0004582100000000, 0.0007709000000000 ] - [ 0.0013618700000000, -0.0000487000000000, 0.0004663200000000 ] - [ -0.0006070500000000, -0.0003983700000000, -0.0004665200000000 ] - [ 0.0002034300000000, 0.0003674900000000, 0.0006636300000000 ] - [ -0.0006070500000000, 0.0003983700000000, -0.0004665200000000 ] - [ 0.0002034300000000, -0.0003674900000000, 0.0006636300000000 ] - [ -0.0007738600000000, 0.0000000000000000, -0.0003779400000000 ] - [ -0.0005347200000000, 0.0000000000000000, 0.0002569700000000 ] - [ -0.0030799600000000, 0.0000000000000000, 0.0033810900000000 ] - [ -0.0024307000000000, 0.0000000000000000, 0.0000709000000000 ] - [ -0.0003895500000000, -0.0005323100000000, 0.0007711200000000 ] - [ -0.0022651700000000, 0.0002254900000000, 0.0001198100000000 ] - [ -0.0003895500000000, 0.0005323100000000, 0.0007711200000000 ] - [ -0.0022651700000000, -0.0002254900000000, 0.0001198100000000 ] - [ 0.0083608500000000, 0.0038535000000000, -0.0011896400000000 ] - [ 0.0001251100000000, 0.0000081800000000, -0.0009801700000000 ] - [ 0.0083608500000000, -0.0038535000000000, -0.0011896400000000 ] - [ 0.0001251100000000, -0.0000081800000000, -0.0009801700000000 ] - [ 0.0030433300000000, 0.0000000000000000, -0.0000351300000000 ] - [ 0.0001991700000000, 0.0000000000000000, -0.0010409800000000 ] - [ -0.0116740600000000, 0.0000000000000000, -0.0061567500000000 ] - [ -0.0030442800000000, 0.0000000000000000, -0.0010110900000000 ] - [ -0.0036673400000000, 0.0026621200000000, -0.0021396500000000 ] - [ -0.0021992800000000, -0.0001672100000000, -0.0013724500000000 ] - [ -0.0036673400000000, -0.0026621200000000, -0.0021396500000000 ] - [ -0.0021992800000000, 0.0001672100000000, -0.0013724500000000 ] - [ 0.0011105500000000, 0.0001796500000000, 0.0006671600000000 ] - [ 0.0009736800000000, -0.0001105900000000, 0.0011649200000000 ] - [ 0.0011105500000000, -0.0001796500000000, 0.0006671600000000 ] - [ 0.0009736800000000, 0.0001105900000000, 0.0011649200000000 ] - [ 0.0012943000000000, 0.0000000000000000, 0.0008672500000000 ] - [ 0.0010502800000000, 0.0000000000000000, 0.0012508400000000 ] - [ 0.0764588000000000, 0.0000000000000000, -0.0021646800000000 ] - [ -0.0027456600000000, 0.0000000000000000, -0.0017120900000000 ] - [ 0.0072288300000000, -0.0005890000000000, 0.0044895700000000 ] - [ -0.0026583400000000, 0.0000093900000000, -0.0017065600000000 ] - [ 0.0072288300000000, 0.0005890000000000, 0.0044895700000000 ] - [ -0.0026583400000000, -0.0000093900000000, -0.0017065600000000 ] - [ 0.0083825100000000, -0.0034660500000000, -0.0016043900000000 ] - [ 0.0010392500000000, -0.0000194600000000, 0.0007277200000000 ] - [ 0.0083825100000000, 0.0034660500000000, -0.0016043900000000 ] - [ 0.0010392500000000, 0.0000194600000000, 0.0007277200000000 ] - [ 0.0028211600000000, 0.0000000000000000, 0.0015010300000000 ] - [ 0.0010888800000000, 0.0000000000000000, 0.0007307300000000 ] - [ -0.0043638600000000, 0.0000000000000000, 0.0021564300000000 ] - [ -0.0020215300000000, 0.0000000000000000, -0.0008879700000000 ] - [ 0.0005699500000000, 0.0010740000000000, 0.0005158300000000 ] - [ -0.0016212800000000, -0.0001837900000000, -0.0007508300000000 ] - [ 0.0005699500000000, -0.0010740000000000, 0.0005158300000000 ] - [ -0.0016212800000000, 0.0001837900000000, -0.0007508300000000 ] - [ -0.0054443500000000, 0.0016259300000000, 0.0000553900000000 ] - [ -0.0010279800000000, -0.0001734800000000, 0.0006179900000000 ] - [ -0.0054443500000000, -0.0016259300000000, 0.0000553900000000 ] - [ -0.0010279800000000, 0.0001734800000000, 0.0006179900000000 ] - [ 0.0004970200000000, 0.0000000000000000, 0.0003517400000000 ] - [ -0.0001171600000000, 0.0000000000000000, 0.0006783400000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000209300000000, 0.0030387200000000, 0.0004003400000000 ] - [ 0.0001010500000000, 0.0000698700000000, 0.0003034400000000 ] - [ -0.0005168400000000, -0.0013577400000000, 0.0020855300000000 ] - [ 0.0001375100000000, -0.0000469800000000, 0.0003407800000000 ] - [ 0.0007124500000000, -0.0013349700000000, -0.0014737600000000 ] - [ 0.0000573100000000, -0.0000237000000000, 0.0002592000000000 ] - [ 0.0001460800000000, 0.0004333100000000, 0.0010996200000000 ] - [ -0.0002199900000000, 0.0000602400000000, -0.0003198800000000 ] - [ -0.0003370800000000, 0.0004614700000000, -0.0017087500000000 ] - [ 0.0000242900000000, 0.0000829000000000, -0.0002802400000000 ] - [ -0.0001030500000000, -0.0010594100000000, -0.0003025700000000 ] - [ -0.0001010600000000, -0.0001460400000000, -0.0003033300000000 ] - [ -0.0007936400000000, 0.0015983100000000, -0.0001689000000000 ] - [ -0.0007960500000000, 0.0004696600000000, -0.0001723600000000 ] - [ -0.0017165400000000, -0.0008957500000000, 0.0003277700000000 ] - [ -0.0004393200000000, -0.0002496800000000, -0.0002436900000000 ] - [ 0.0001116900000000, -0.0008627900000000, -0.0006960600000000 ] - [ -0.0011628200000000, -0.0002177600000000, -0.0001257100000000 ] - [ 0.0007233100000000, 0.0003481700000000, -0.0002529200000000 ] - [ 0.0007410800000000, 0.0002142700000000, 0.0001276100000000 ] - [ 0.0008739300000000, 0.0003809600000000, 0.0006221000000000 ] - [ 0.0008583800000000, 0.0002442100000000, 0.0002411900000000 ] - [ 0.0007982900000000, -0.0006843300000000, 0.0001725600000000 ] - [ 0.0007975400000000, -0.0004309900000000, 0.0001733100000000 ] - [ -0.0014414400000000, 0.0046634000000000, 0.0002861200000000 ] - [ -0.0014969000000000, 0.0001496200000000, 0.0003703200000000 ] - [ -0.0004171000000000, -0.0014001600000000, -0.0010945300000000 ] - [ -0.0016682600000000, -0.0000901600000000, 0.0003276000000000 ] - [ -0.0025678600000000, -0.0013610600000000, 0.0018225400000000 ] - [ -0.0013220100000000, -0.0000515500000000, 0.0004094600000000 ] - [ -0.0096043500000000, 0.0181410100000000, -0.0083995900000000 ] - [ 0.0012495000000000, 0.0000431300000000, -0.0003320400000000 ] - [ 0.0131824600000000, 0.0188078100000000, 0.0081022100000000 ] - [ 0.0017404100000000, 0.0000815200000000, -0.0004050900000000 ] - [ 0.0014931100000000, -0.0052248000000000, -0.0003725400000000 ] - [ 0.0014954400000000, -0.0001309600000000, -0.0003703100000000 ] - [ -0.0015850300000000, 0.0020850500000000, -0.0022217800000000 ] - [ -0.0015816000000000, 0.0008882300000000, -0.0022207600000000 ] - [ -0.0023686100000000, -0.0009667800000000, -0.0027112700000000 ] - [ -0.0012756100000000, -0.0003630000000000, -0.0022303500000000 ] - [ -0.0007871900000000, -0.0009460300000000, -0.0017188200000000 ] - [ -0.0018848000000000, -0.0003390000000000, -0.0022011200000000 ] - [ 0.0005515500000000, 0.0006202600000000, 0.0035850700000000 ] - [ 0.0029554600000000, 0.0002040200000000, 0.0023275700000000 ] - [ 0.0026167500000000, 0.0006494100000000, 0.0008356600000000 ] - [ 0.0002004500000000, 0.0002288800000000, 0.0021037600000000 ] - [ 0.0015804400000000, -0.0009413000000000, 0.0022203500000000 ] - [ 0.0015790300000000, -0.0004715500000000, 0.0022194700000000 ] - [ -0.0031249800000000, 0.0016548700000000, -0.0025303500000000 ] - [ -0.0031282400000000, 0.0002353800000000, -0.0025273500000000 ] - [ -0.0032322900000000, -0.0008976800000000, -0.0032716100000000 ] - [ -0.0030842100000000, -0.0001281700000000, -0.0025068800000000 ] - [ -0.0030361900000000, -0.0008810900000000, -0.0017694400000000 ] - [ -0.0031856100000000, -0.0001053900000000, -0.0025346400000000 ] - [ 0.0095708700000000, 0.0122795800000000, 0.0060392600000000 ] - [ 0.0032801300000000, 0.0000563400000000, 0.0024436700000000 ] - [ -0.0037521200000000, 0.0128300100000000, -0.0013062000000000 ] - [ 0.0029882100000000, 0.0000785300000000, 0.0025986200000000 ] - [ 0.0031338400000000, -0.0058994400000000, 0.0025321600000000 ] - [ 0.0031280700000000, -0.0001378400000000, 0.0025274400000000 ] - [ 0.0009227900000000, 0.0020703800000000, 0.0002522700000000 ] - [ 0.0009226100000000, 0.0001555600000000, 0.0002397700000000 ] - [ 0.0013950400000000, -0.0011091700000000, 0.0014395400000000 ] - [ 0.0008765700000000, -0.0000872000000000, 0.0002440200000000 ] - [ 0.0004450800000000, -0.0010978800000000, -0.0009454100000000 ] - [ 0.0009659100000000, -0.0000705100000000, 0.0002559500000000 ] - [ -0.0008787700000000, 0.0003133800000000, -0.0002773500000000 ] - [ -0.0019933400000000, 0.0005415100000000, -0.0007089000000000 ] - [ -0.0009625600000000, 0.0003313100000000, -0.0002223100000000 ] - [ 0.0001513200000000, 0.0005555500000000, 0.0002102100000000 ] - [ -0.0009225600000000, -0.0006864700000000, -0.0002390500000000 ] - [ -0.0009226100000000, -0.0011688200000000, -0.0002411800000000 ] - [ -0.0011919100000000, -0.0008852100000000, 0.0005745200000000 ] - [ -0.0011798800000000, -0.0007599100000000, 0.0005660100000000 ] - [ -0.0004853700000000, 0.0005416400000000, 0.0001326600000000 ] - [ -0.0013687300000000, 0.0003780400000000, 0.0004145300000000 ] - [ -0.0018521800000000, 0.0005313200000000, 0.0009940300000000 ] - [ -0.0009711200000000, 0.0003613600000000, 0.0007178800000000 ] - [ -0.0015555900000000, -0.0005235900000000, 0.0055850700000000 ] - [ 0.0011725700000000, -0.0000567700000000, -0.0005277900000000 ] - [ 0.0039225000000000, -0.0005597100000000, -0.0067450000000000 ] - [ 0.0011682800000000, -0.0000720300000000, -0.0006030300000000 ] - [ 0.0011752200000000, 0.0022247300000000, -0.0005698600000000 ] - [ 0.0011798300000000, 0.0001359700000000, -0.0005666200000000 ] - [ -0.0013573900000000, -0.0094421900000000, -0.0013890400000000 ] - [ -0.0013654900000000, -0.0003729500000000, -0.0013949100000000 ] - [ -0.0049753900000000, 0.0043772800000000, -0.0024927400000000 ] - [ -0.0009452500000000, 0.0001897500000000, -0.0016504300000000 ] - [ 0.0022443600000000, 0.0043628400000000, -0.0003182700000000 ] - [ -0.0017826500000000, 0.0001747700000000, -0.0011523400000000 ] - [ 0.0009786300000000, -0.0004844200000000, 0.0009319400000000 ] - [ 0.0015409000000000, -0.0005574900000000, 0.0018403400000000 ] - [ 0.0017487400000000, -0.0004986700000000, 0.0018698200000000 ] - [ 0.0011885000000000, -0.0005684000000000, 0.0009588600000000 ] - [ 0.0013640100000000, 0.0009767100000000, 0.0013937700000000 ] - [ 0.0013643000000000, 0.0010837000000000, 0.0013961900000000 ] - [ -0.0019784900000000, -0.0941198400000000, -0.0014172300000000 ] - [ -0.0018342000000000, -0.0002822300000000, -0.0012719600000000 ] - [ -0.0024090600000000, 0.0200816000000000, -0.0020045100000000 ] - [ -0.0018267700000000, 0.0001486500000000, -0.0013065800000000 ] - [ -0.0012619700000000, 0.0198079700000000, -0.0005571800000000 ] - [ -0.0018368700000000, 0.0001409400000000, -0.0012455200000000 ] - [ 0.0052887800000000, -0.0008992300000000, -0.0072281100000000 ] - [ 0.0018551800000000, -0.0001233100000000, 0.0012311700000000 ] - [ -0.0016421000000000, -0.0009242400000000, 0.0098215400000000 ] - [ 0.0018092900000000, -0.0001297000000000, 0.0013216800000000 ] - [ 0.0018383300000000, 0.0024401900000000, 0.0012754600000000 ] - [ 0.0018347900000000, 0.0002571200000000, 0.0012718600000000 ] - [ -0.0004843700000000, -0.0024345700000000, -0.0004563400000000 ] - [ -0.0004962400000000, -0.0006440100000000, -0.0004577200000000 ] - [ -0.0014993000000000, 0.0010662900000000, 0.0001749000000000 ] - [ 0.0000497800000000, 0.0003444800000000, -0.0002136000000000 ] - [ 0.0004934600000000, 0.0010490500000000, -0.0010860400000000 ] - [ -0.0010511400000000, 0.0003241700000000, -0.0006974200000000 ] - [ -0.0084121500000000, -0.0008866300000000, 0.0011724600000000 ] - [ 0.0014737600000000, -0.0003136500000000, 0.0003997400000000 ] - [ 0.0094298600000000, -0.0009053600000000, -0.0002626300000000 ] - [ -0.0004757900000000, -0.0003316400000000, 0.0005125800000000 ] - [ 0.0005019200000000, 0.0019462300000000, 0.0004604800000000 ] - [ 0.0004981800000000, 0.0006302700000000, 0.0004579300000000 ]- atom: 97 displacement: [ -0.0032316847127924, 0.0000000000000000, 0.0094634144956831 ] forces: - [ -0.0242749900000000, 0.0000000000000000, 0.0317072600000000 ] - [ -0.0000983800000000, 0.0000000000000000, 0.0002958800000000 ] - [ 0.0007287300000000, 0.0013939900000000, 0.0008293800000000 ] - [ -0.0000806200000000, -0.0000152200000000, 0.0002970000000000 ] - [ 0.0007287300000000, -0.0013939900000000, 0.0008293800000000 ] - [ -0.0000806200000000, 0.0000152200000000, 0.0002970000000000 ] - [ 0.0018980400000000, -0.0013367700000000, -0.0049047600000000 ] - [ -0.0003455200000000, -0.0000026700000000, -0.0003835500000000 ] - [ 0.0018980400000000, 0.0013367700000000, -0.0049047600000000 ] - [ -0.0003455200000000, 0.0000026700000000, -0.0003835500000000 ] - [ 0.0004851000000000, 0.0000000000000000, -0.0010148900000000 ] - [ -0.0003391500000000, 0.0000000000000000, -0.0003687700000000 ] - [ 0.0002506200000000, 0.0000000000000000, 0.0017047000000000 ] - [ -0.0009640600000000, 0.0000000000000000, 0.0001061600000000 ] - [ -0.0009920900000000, -0.0001020300000000, 0.0004669900000000 ] - [ -0.0009118500000000, -0.0002136400000000, 0.0001490700000000 ] - [ -0.0009920900000000, 0.0001020300000000, 0.0004669900000000 ] - [ -0.0009118500000000, 0.0002136400000000, 0.0001490700000000 ] - [ 0.0019252000000000, 0.0007548300000000, -0.0023830000000000 ] - [ 0.0005921100000000, 0.0000342200000000, 0.0001036400000000 ] - [ 0.0019252000000000, -0.0007548300000000, -0.0023830000000000 ] - [ 0.0005921100000000, -0.0000342200000000, 0.0001036400000000 ] - [ 0.0011319100000000, 0.0000000000000000, -0.0004480000000000 ] - [ 0.0005925400000000, 0.0000000000000000, 0.0001269800000000 ] - [ -0.0133460700000000, 0.0000000000000000, 0.0229537700000000 ] - [ -0.0018366500000000, 0.0000000000000000, 0.0002383700000000 ] - [ -0.0010148900000000, -0.0013856900000000, 0.0006571100000000 ] - [ -0.0017561400000000, -0.0000315100000000, 0.0002666700000000 ] - [ -0.0010148900000000, 0.0013856900000000, 0.0006571100000000 ] - [ -0.0017561400000000, 0.0000315100000000, 0.0002666700000000 ] - [ 0.0030434900000000, -0.0029662100000000, 0.0059547800000000 ] - [ 0.0014988800000000, 0.0000170100000000, -0.0004041300000000 ] - [ 0.0030434900000000, 0.0029662100000000, 0.0059547800000000 ] - [ 0.0014988800000000, -0.0000170100000000, -0.0004041300000000 ] - [ 0.0018758700000000, 0.0000000000000000, 0.0002594500000000 ] - [ 0.0013677200000000, 0.0000000000000000, -0.0004508900000000 ] - [ -0.0021560100000000, 0.0000000000000000, -0.0022824400000000 ] - [ 0.0000185400000000, 0.0000000000000000, -0.0024469400000000 ] - [ -0.0017951600000000, -0.0001182200000000, -0.0022496000000000 ] - [ -0.0014364500000000, -0.0000903500000000, -0.0024895200000000 ] - [ -0.0017951600000000, 0.0001182200000000, -0.0022496000000000 ] - [ -0.0014364500000000, 0.0000903500000000, -0.0024895200000000 ] - [ 0.0018680800000000, 0.0010500500000000, 0.0037928700000000 ] - [ 0.0011699900000000, -0.0001665000000000, 0.0023907900000000 ] - [ 0.0018680800000000, -0.0010500500000000, 0.0037928700000000 ] - [ 0.0011699900000000, 0.0001665000000000, 0.0023907900000000 ] - [ 0.0016750600000000, 0.0000000000000000, 0.0025682700000000 ] - [ 0.0015117500000000, 0.0000000000000000, 0.0022695400000000 ] - [ -0.0045380200000000, 0.0000000000000000, -0.0048267100000000 ] - [ -0.0033427400000000, 0.0000000000000000, -0.0028852800000000 ] - [ -0.0037781400000000, -0.0009821500000000, -0.0035565200000000 ] - [ -0.0034364600000000, -0.0000215800000000, -0.0027488800000000 ] - [ -0.0037781400000000, 0.0009821500000000, -0.0035565200000000 ] - [ -0.0034364600000000, 0.0000215800000000, -0.0027488800000000 ] - [ 0.0041785400000000, 0.0008556800000000, 0.0065209700000000 ] - [ 0.0029994900000000, -0.0000485200000000, 0.0025014600000000 ] - [ 0.0041785400000000, -0.0008556800000000, 0.0065209700000000 ] - [ 0.0029994900000000, 0.0000485200000000, 0.0025014600000000 ] - [ 0.0036982500000000, 0.0000000000000000, 0.0030919500000000 ] - [ 0.0029805600000000, 0.0000000000000000, 0.0024363000000000 ] - [ -0.0007764900000000, 0.0000000000000000, -0.0007323400000000 ] - [ 0.0006959500000000, 0.0000000000000000, -0.0000637800000000 ] - [ -0.0000998300000000, 0.0008005900000000, -0.0005569600000000 ] - [ 0.0007651600000000, 0.0000132500000000, 0.0000669400000000 ] - [ -0.0000998300000000, -0.0008005900000000, -0.0005569600000000 ] - [ 0.0007651600000000, -0.0000132500000000, 0.0000669400000000 ] - [ -0.0005777000000000, -0.0003406700000000, -0.0003767500000000 ] - [ -0.0015557800000000, -0.0001797500000000, -0.0004865000000000 ] - [ -0.0005777000000000, 0.0003406700000000, -0.0003767500000000 ] - [ -0.0015557800000000, 0.0001797500000000, -0.0004865000000000 ] - [ -0.0009973900000000, 0.0000000000000000, -0.0005377600000000 ] - [ -0.0013868400000000, 0.0000000000000000, -0.0004481100000000 ] - [ -0.0086378500000000, 0.0000000000000000, 0.0052000400000000 ] - [ -0.0006500100000000, 0.0000000000000000, 0.0006046500000000 ] - [ -0.0024142700000000, -0.0006122800000000, 0.0004551000000000 ] - [ -0.0006503600000000, -0.0000445400000000, 0.0005407000000000 ] - [ -0.0024142700000000, 0.0006122800000000, 0.0004551000000000 ] - [ -0.0006503600000000, 0.0000445400000000, 0.0005407000000000 ] - [ 0.0056089100000000, 0.0092669500000000, 0.0079290500000000 ] - [ 0.0014859100000000, -0.0000054300000000, -0.0004601900000000 ] - [ 0.0056089100000000, -0.0092669500000000, 0.0079290500000000 ] - [ 0.0014859100000000, 0.0000054300000000, -0.0004601900000000 ] - [ 0.0012806300000000, 0.0000000000000000, 0.0002699100000000 ] - [ 0.0014929000000000, 0.0000000000000000, -0.0004778800000000 ] - [ 0.0006180400000000, 0.0000000000000000, -0.0031868200000000 ] - [ -0.0019359800000000, 0.0000000000000000, -0.0011115700000000 ] - [ 0.0000155300000000, -0.0009563900000000, -0.0015293400000000 ] - [ -0.0012273000000000, -0.0001850600000000, -0.0013904200000000 ] - [ 0.0000155300000000, 0.0009563900000000, -0.0015293400000000 ] - [ -0.0012273000000000, 0.0001850600000000, -0.0013904200000000 ] - [ 0.0019820300000000, -0.0003119400000000, 0.0018032700000000 ] - [ 0.0014696900000000, 0.0003340500000000, 0.0026888900000000 ] - [ 0.0019820300000000, 0.0003119400000000, 0.0018032700000000 ] - [ 0.0014696900000000, -0.0003340500000000, 0.0026888900000000 ] - [ 0.0019639700000000, 0.0000000000000000, 0.0014711700000000 ] - [ 0.0015041000000000, 0.0000000000000000, 0.0022627800000000 ] - [ 0.0240642000000000, 0.0000000000000000, -0.0944624100000000 ] - [ -0.0017166400000000, 0.0000000000000000, -0.0012119700000000 ] - [ -0.0043700300000000, 0.0004740800000000, -0.0061385600000000 ] - [ -0.0016961300000000, 0.0000346100000000, -0.0011726400000000 ] - [ -0.0043700300000000, -0.0004740800000000, -0.0061385600000000 ] - [ -0.0016961300000000, -0.0000346100000000, -0.0011726400000000 ] - [ 0.0067124200000000, -0.0092311200000000, 0.0109516900000000 ] - [ 0.0020993000000000, -0.0000467800000000, 0.0015918700000000 ] - [ 0.0067124200000000, 0.0092311200000000, 0.0109516900000000 ] - [ 0.0020993000000000, 0.0000467800000000, 0.0015918700000000 ] - [ 0.0019421100000000, 0.0000000000000000, 0.0020410300000000 ] - [ 0.0021105000000000, 0.0000000000000000, 0.0015469900000000 ] - [ -0.0129373500000000, 0.0000000000000000, 0.0008392700000000 ] - [ -0.0000126100000000, 0.0000000000000000, -0.0005285800000000 ] - [ -0.0018442400000000, 0.0004735900000000, -0.0001100400000000 ] - [ -0.0001571200000000, 0.0000304600000000, -0.0005351500000000 ] - [ -0.0018442400000000, -0.0004735900000000, -0.0001100400000000 ] - [ -0.0001571200000000, -0.0000304600000000, -0.0005351500000000 ] - [ 0.0034515500000000, 0.0010758700000000, -0.0010210600000000 ] - [ 0.0002848900000000, -0.0001908700000000, 0.0003416100000000 ] - [ 0.0034515500000000, -0.0010758700000000, -0.0010210600000000 ] - [ 0.0002848900000000, 0.0001908700000000, 0.0003416100000000 ] - [ 0.0008254700000000, 0.0000000000000000, 0.0001648100000000 ] - [ 0.0005857100000000, 0.0000000000000000, 0.0005213000000000 ]- atom: 97 displacement: [ 0.0032316847127924, 0.0000000000000000, -0.0094634144956831 ] forces: - [ 0.0257065100000000, 0.0000000000000000, -0.0330831200000000 ] - [ 0.0002952500000000, 0.0000000000000000, 0.0003034300000000 ] - [ -0.0005286400000000, -0.0014263800000000, -0.0002454800000000 ] - [ 0.0002704800000000, -0.0000078300000000, 0.0002956500000000 ] - [ -0.0005286400000000, 0.0014263800000000, -0.0002454800000000 ] - [ 0.0002704800000000, 0.0000078300000000, 0.0002956500000000 ] - [ -0.0020979900000000, 0.0013180900000000, 0.0043175500000000 ] - [ 0.0001551600000000, -0.0000203600000000, -0.0002091500000000 ] - [ -0.0020979900000000, -0.0013180900000000, 0.0043175500000000 ] - [ 0.0001551600000000, 0.0000203600000000, -0.0002091500000000 ] - [ -0.0006827100000000, 0.0000000000000000, 0.0004165200000000 ] - [ 0.0001413400000000, 0.0000000000000000, -0.0002300700000000 ] - [ -0.0018365700000000, 0.0000000000000000, -0.0020712600000000 ] - [ -0.0006133400000000, 0.0000000000000000, -0.0004544000000000 ] - [ -0.0005868900000000, 0.0000707100000000, -0.0008479400000000 ] - [ -0.0006701000000000, 0.0001800700000000, -0.0005220700000000 ] - [ -0.0005868900000000, -0.0000707100000000, -0.0008479400000000 ] - [ -0.0006701000000000, -0.0001800700000000, -0.0005220700000000 ] - [ -0.0003373500000000, -0.0007802800000000, 0.0027558900000000 ] - [ 0.0009890900000000, -0.0000664600000000, 0.0002737200000000 ] - [ -0.0003373500000000, 0.0007802800000000, 0.0027558900000000 ] - [ 0.0009890900000000, 0.0000664600000000, 0.0002737200000000 ] - [ 0.0004446700000000, 0.0000000000000000, 0.0007990700000000 ] - [ 0.0009823000000000, 0.0000000000000000, 0.0002259200000000 ] - [ 0.0096067500000000, 0.0000000000000000, -0.0206990400000000 ] - [ -0.0011594500000000, 0.0000000000000000, 0.0005014000000000 ] - [ -0.0019912100000000, 0.0013366400000000, 0.0000874300000000 ] - [ -0.0012401000000000, -0.0000072900000000, 0.0004693600000000 ] - [ -0.0019912100000000, -0.0013366400000000, 0.0000874300000000 ] - [ -0.0012401000000000, 0.0000072900000000, 0.0004693600000000 ] - [ -0.0001008500000000, 0.0030229100000000, -0.0067580700000000 ] - [ 0.0014996200000000, -0.0000551900000000, -0.0003318500000000 ] - [ -0.0001008500000000, -0.0030229100000000, -0.0067580700000000 ] - [ 0.0014996200000000, 0.0000551900000000, -0.0003318500000000 ] - [ 0.0011246500000000, 0.0000000000000000, -0.0009921500000000 ] - [ 0.0016302200000000, 0.0000000000000000, -0.0002891800000000 ] - [ -0.0009969600000000, 0.0000000000000000, -0.0021539100000000 ] - [ -0.0031623300000000, 0.0000000000000000, -0.0019908600000000 ] - [ -0.0013594700000000, 0.0000973000000000, -0.0021814200000000 ] - [ -0.0017221500000000, 0.0000653300000000, -0.0019445600000000 ] - [ -0.0013594700000000, -0.0000973000000000, -0.0021814200000000 ] - [ -0.0017221500000000, -0.0000653300000000, -0.0019445600000000 ] - [ 0.0013005600000000, -0.0010662100000000, 0.0006528500000000 ] - [ 0.0019917600000000, 0.0001443400000000, 0.0020419100000000 ] - [ 0.0013005600000000, 0.0010662100000000, 0.0006528500000000 ] - [ 0.0019917600000000, -0.0001443400000000, 0.0020419100000000 ] - [ 0.0014822500000000, 0.0000000000000000, 0.0018788400000000 ] - [ 0.0016463500000000, 0.0000000000000000, 0.0021718200000000 ] - [ -0.0017223900000000, 0.0000000000000000, -0.0002234100000000 ] - [ -0.0028972000000000, 0.0000000000000000, -0.0021658200000000 ] - [ -0.0024864200000000, 0.0009480900000000, -0.0014878800000000 ] - [ -0.0028180500000000, -0.0000001200000000, -0.0022882500000000 ] - [ -0.0024864200000000, -0.0009480900000000, -0.0014878800000000 ] - [ -0.0028180500000000, 0.0000001200000000, -0.0022882500000000 ] - [ 0.0021459800000000, -0.0008246300000000, -0.0014757700000000 ] - [ 0.0032547300000000, 0.0000269100000000, 0.0025349000000000 ] - [ 0.0021459800000000, 0.0008246300000000, -0.0014757700000000 ] - [ 0.0032547300000000, -0.0000269100000000, 0.0025349000000000 ] - [ 0.0025407800000000, 0.0000000000000000, 0.0019543600000000 ] - [ 0.0032612100000000, 0.0000000000000000, 0.0026133800000000 ] - [ 0.0026328500000000, 0.0000000000000000, 0.0012020700000000 ] - [ 0.0011437500000000, 0.0000000000000000, 0.0005376400000000 ] - [ 0.0019458100000000, -0.0008230700000000, 0.0010496100000000 ] - [ 0.0010725300000000, -0.0000297200000000, 0.0004252100000000 ] - [ 0.0019458100000000, 0.0008230700000000, 0.0010496100000000 ] - [ 0.0010725300000000, 0.0000297200000000, 0.0004252100000000 ] - [ -0.0012632900000000, 0.0003246700000000, -0.0001175300000000 ] - [ -0.0002880900000000, 0.0001632100000000, -0.0000104800000000 ] - [ -0.0012632900000000, -0.0003246700000000, -0.0001175300000000 ] - [ -0.0002880900000000, -0.0001632100000000, -0.0000104800000000 ] - [ -0.0008467700000000, 0.0000000000000000, 0.0000597700000000 ] - [ -0.0004559000000000, 0.0000000000000000, -0.0000299000000000 ] - [ 0.0063160300000000, 0.0000000000000000, -0.0041013100000000 ] - [ -0.0016885200000000, 0.0000000000000000, 0.0005347500000000 ] - [ 0.0000951800000000, 0.0006310300000000, 0.0006880000000000 ] - [ -0.0016694400000000, 0.0000592600000000, 0.0005968900000000 ] - [ 0.0000951800000000, -0.0006310300000000, 0.0006880000000000 ] - [ -0.0016694400000000, -0.0000592600000000, 0.0005968900000000 ] - [ -0.0033339700000000, -0.0093411600000000, -0.0091390500000000 ] - [ 0.0008363300000000, 0.0000204400000000, -0.0006784900000000 ] - [ -0.0033339700000000, 0.0093411600000000, -0.0091390500000000 ] - [ 0.0008363300000000, -0.0000204400000000, -0.0006784900000000 ] - [ 0.0010533800000000, 0.0000000000000000, -0.0014068100000000 ] - [ 0.0008485400000000, 0.0000000000000000, -0.0006620800000000 ] - [ -0.0032902500000000, 0.0000000000000000, 0.0004178900000000 ] - [ -0.0007823700000000, 0.0000000000000000, -0.0016726600000000 ] - [ -0.0027190100000000, 0.0009609300000000, -0.0012661700000000 ] - [ -0.0014971300000000, 0.0002007700000000, -0.0014020900000000 ] - [ -0.0027190100000000, -0.0009609300000000, -0.0012661700000000 ] - [ -0.0014971300000000, -0.0002007700000000, -0.0014020900000000 ] - [ 0.0007477300000000, 0.0003254600000000, 0.0009873900000000 ] - [ 0.0012504600000000, -0.0003217500000000, 0.0001080700000000 ] - [ 0.0007477300000000, -0.0003254600000000, 0.0009873900000000 ] - [ 0.0012504600000000, 0.0003217500000000, 0.0001080700000000 ] - [ 0.0007655700000000, 0.0000000000000000, 0.0013088100000000 ] - [ 0.0012168000000000, 0.0000000000000000, 0.0005213200000000 ] - [ -0.0282727900000000, 0.0000000000000000, 0.0924771100000000 ] - [ -0.0019633200000000, 0.0000000000000000, -0.0013397000000000 ] - [ 0.0006927000000000, -0.0005250800000000, 0.0035754900000000 ] - [ -0.0019784400000000, -0.0000264800000000, -0.0013878100000000 ] - [ 0.0006927000000000, 0.0005250800000000, 0.0035754900000000 ] - [ -0.0019784400000000, 0.0000264800000000, -0.0013878100000000 ] - [ -0.0029794000000000, 0.0091441400000000, -0.0083072500000000 ] - [ 0.0015745000000000, 0.0000538300000000, 0.0009699000000000 ] - [ -0.0029794000000000, -0.0091441400000000, -0.0083072500000000 ] - [ 0.0015745000000000, -0.0000538300000000, 0.0009699000000000 ] - [ 0.0017421400000000, 0.0000000000000000, 0.0005032300000000 ] - [ 0.0015689800000000, 0.0000000000000000, 0.0010056500000000 ] - [ 0.0118603800000000, 0.0000000000000000, -0.0017604400000000 ] - [ -0.0009998000000000, 0.0000000000000000, -0.0003995700000000 ] - [ 0.0008293900000000, -0.0004478700000000, -0.0008158200000000 ] - [ -0.0008571000000000, -0.0000111000000000, -0.0003881000000000 ] - [ 0.0008293900000000, 0.0004478700000000, -0.0008158200000000 ] - [ -0.0008571000000000, 0.0000111000000000, -0.0003881000000000 ] - [ -0.0024716300000000, -0.0010612300000000, 0.0019556100000000 ] - [ 0.0007244100000000, 0.0002087100000000, 0.0005794700000000 ] - [ -0.0024716300000000, 0.0010612300000000, 0.0019556100000000 ] - [ 0.0007244100000000, -0.0002087100000000, 0.0005794700000000 ] - [ 0.0001763700000000, 0.0000000000000000, 0.0007666300000000 ] - [ 0.0004241800000000, 0.0000000000000000, 0.0004066700000000 ]- atom: 109 displacement: [ 0.0099999949782129, 0.0000000000000000, -0.0000100217621775 ] forces: - [ 0.0002721600000000, 0.0000000000000000, 0.0024758800000000 ] - [ -0.0007937700000000, 0.0000000000000000, -0.0000238100000000 ] - [ 0.0009075800000000, -0.0002459900000000, 0.0006678400000000 ] - [ -0.0005403900000000, 0.0000635800000000, 0.0000742800000000 ] - [ 0.0009075800000000, 0.0002459900000000, 0.0006678400000000 ] - [ -0.0005403900000000, -0.0000635800000000, 0.0000742800000000 ] - [ 0.0006366900000000, 0.0008188900000000, -0.0019347500000000 ] - [ -0.0008658200000000, -0.0003304700000000, -0.0001199500000000 ] - [ 0.0006366900000000, -0.0008188900000000, -0.0019347500000000 ] - [ -0.0008658200000000, 0.0003304700000000, -0.0001199500000000 ] - [ 0.0004479300000000, 0.0000000000000000, -0.0006028700000000 ] - [ -0.0005767000000000, 0.0000000000000000, -0.0003215300000000 ] - [ -0.0011496300000000, 0.0000000000000000, -0.0002095800000000 ] - [ -0.0001354000000000, 0.0000000000000000, -0.0020759800000000 ] - [ -0.0011169200000000, -0.0001491600000000, -0.0001747700000000 ] - [ -0.0004340300000000, 0.0011419000000000, -0.0014087100000000 ] - [ -0.0011169200000000, 0.0001491600000000, -0.0001747700000000 ] - [ -0.0004340300000000, -0.0011419000000000, -0.0014087100000000 ] - [ 0.0033201000000000, 0.0033695000000000, -0.0029039700000000 ] - [ 0.0002018400000000, 0.0000095500000000, -0.0000731100000000 ] - [ 0.0033201000000000, -0.0033695000000000, -0.0029039700000000 ] - [ 0.0002018400000000, -0.0000095500000000, -0.0000731100000000 ] - [ 0.0014390300000000, 0.0000000000000000, 0.0005670000000000 ] - [ 0.0002198700000000, 0.0000000000000000, -0.0000539100000000 ] - [ 0.0374446100000000, 0.0000000000000000, -0.0032057300000000 ] - [ -0.0027531900000000, 0.0000000000000000, 0.0001566000000000 ] - [ 0.0000022500000000, -0.0017114800000000, 0.0008311500000000 ] - [ -0.0025335100000000, 0.0001866900000000, 0.0001906900000000 ] - [ 0.0000022500000000, 0.0017114800000000, 0.0008311500000000 ] - [ -0.0025335100000000, -0.0001866900000000, 0.0001906900000000 ] - [ -0.0006949200000000, 0.0018132300000000, 0.0011577800000000 ] - [ -0.0006822800000000, -0.0007148000000000, -0.0012912200000000 ] - [ -0.0006949200000000, -0.0018132300000000, 0.0011577800000000 ] - [ -0.0006822800000000, 0.0007148000000000, -0.0012912200000000 ] - [ 0.0013543200000000, 0.0000000000000000, -0.0000182300000000 ] - [ 0.0009901600000000, 0.0000000000000000, -0.0005186000000000 ] - [ -0.0023481600000000, 0.0000000000000000, -0.0023021500000000 ] - [ 0.0320450100000000, 0.0000000000000000, -0.0025072500000000 ] - [ -0.0021390000000000, -0.0001432500000000, -0.0023307100000000 ] - [ -0.0008208400000000, 0.0013265700000000, -0.0018859600000000 ] - [ -0.0021390000000000, 0.0001432500000000, -0.0023307100000000 ] - [ -0.0008208400000000, -0.0013265700000000, -0.0018859600000000 ] - [ 0.0044257100000000, 0.0007738900000000, 0.0031095000000000 ] - [ 0.0008779000000000, 0.0000304700000000, 0.0020550400000000 ] - [ 0.0044257100000000, -0.0007738900000000, 0.0031095000000000 ] - [ 0.0008779000000000, -0.0000304700000000, 0.0020550400000000 ] - [ 0.0022981900000000, 0.0000000000000000, 0.0021591400000000 ] - [ 0.0011171800000000, 0.0000000000000000, 0.0020583100000000 ] - [ -0.0057600400000000, 0.0000000000000000, -0.0042087800000000 ] - [ -0.0053621800000000, 0.0000000000000000, -0.0018849000000000 ] - [ -0.0045386700000000, -0.0014261700000000, -0.0034098100000000 ] - [ -0.0034747800000000, 0.0003748700000000, -0.0025193900000000 ] - [ -0.0045386700000000, 0.0014261700000000, -0.0034098100000000 ] - [ -0.0034747800000000, -0.0003748700000000, -0.0025193900000000 ] - [ 0.0053028300000000, 0.0007621800000000, 0.0037774900000000 ] - [ 0.0020883000000000, -0.0001002000000000, 0.0020447000000000 ] - [ 0.0053028300000000, -0.0007621800000000, 0.0037774900000000 ] - [ 0.0020883000000000, 0.0001002000000000, 0.0020447000000000 ] - [ 0.0042899100000000, 0.0000000000000000, 0.0032698800000000 ] - [ 0.0021419100000000, 0.0000000000000000, 0.0020540900000000 ] - [ 0.0022961100000000, 0.0000000000000000, 0.0016209600000000 ] - [ -0.0000149900000000, 0.0000000000000000, -0.0002938300000000 ] - [ 0.0022227900000000, 0.0002842500000000, 0.0008790100000000 ] - [ 0.0001302700000000, -0.0000231800000000, -0.0002337100000000 ] - [ 0.0022227900000000, -0.0002842500000000, 0.0008790100000000 ] - [ 0.0001302700000000, 0.0000231800000000, -0.0002337100000000 ] - [ -0.0014953200000000, 0.0001397400000000, -0.0007002100000000 ] - [ -0.0006317900000000, -0.0002352600000000, 0.0001508900000000 ] - [ -0.0014953200000000, -0.0001397400000000, -0.0007002100000000 ] - [ -0.0006317900000000, 0.0002352600000000, 0.0001508900000000 ] - [ -0.0015428700000000, 0.0000000000000000, -0.0007385500000000 ] - [ -0.0005457100000000, 0.0000000000000000, -0.0002507700000000 ] - [ -0.0004927300000000, 0.0000000000000000, 0.0017473200000000 ] - [ -0.0003488300000000, 0.0000000000000000, 0.0006522000000000 ] - [ -0.0010193600000000, 0.0004926500000000, 0.0012298000000000 ] - [ -0.0007022400000000, -0.0001954400000000, 0.0009316800000000 ] - [ -0.0010193600000000, -0.0004926500000000, 0.0012298000000000 ] - [ -0.0007022400000000, 0.0001954400000000, 0.0009316800000000 ] - [ -0.0011414500000000, -0.0002681800000000, -0.0021773000000000 ] - [ 0.0025018000000000, 0.0000539300000000, -0.0000438000000000 ] - [ -0.0011414500000000, 0.0002681800000000, -0.0021773000000000 ] - [ 0.0025018000000000, -0.0000539300000000, -0.0000438000000000 ] - [ -0.0004428200000000, 0.0000000000000000, -0.0016644400000000 ] - [ 0.0023194500000000, 0.0000000000000000, -0.0000307000000000 ] - [ -0.0037607600000000, 0.0000000000000000, -0.0024176400000000 ] - [ -0.0002863500000000, 0.0000000000000000, -0.0009990100000000 ] - [ -0.0024669600000000, -0.0001894100000000, -0.0014575800000000 ] - [ -0.0003304900000000, -0.0000127200000000, -0.0009885500000000 ] - [ -0.0024669600000000, 0.0001894100000000, -0.0014575800000000 ] - [ -0.0003304900000000, 0.0000127200000000, -0.0009885500000000 ] - [ 0.0029982200000000, -0.0004846400000000, 0.0018524500000000 ] - [ 0.0008795300000000, 0.0044190000000000, -0.0036780900000000 ] - [ 0.0029982200000000, 0.0004846400000000, 0.0018524500000000 ] - [ 0.0008795300000000, -0.0044190000000000, -0.0036780900000000 ] - [ 0.0027498300000000, 0.0000000000000000, 0.0017382400000000 ] - [ 0.0011341400000000, 0.0000000000000000, 0.0004823000000000 ] - [ 0.0020175100000000, 0.0000000000000000, -0.0130931000000000 ] - [ -0.0003299100000000, 0.0000000000000000, -0.0002334000000000 ] - [ -0.0029221600000000, 0.0010019300000000, -0.0030629900000000 ] - [ -0.0007286200000000, -0.0005455800000000, -0.0005268500000000 ] - [ -0.0029221600000000, -0.0010019300000000, -0.0030629900000000 ] - [ -0.0007286200000000, 0.0005455800000000, -0.0005268500000000 ] - [ 0.0078167600000000, -0.0089371900000000, 0.0064514700000000 ] - [ 0.0033733900000000, 0.0009764500000000, 0.0015687800000000 ] - [ 0.0078167600000000, 0.0089371900000000, 0.0064514700000000 ] - [ 0.0033733900000000, -0.0009764500000000, 0.0015687800000000 ] - [ 0.0018504700000000, 0.0000000000000000, 0.0016189600000000 ] - [ 0.0024698800000000, 0.0000000000000000, 0.0015724500000000 ] - [ -0.0993392000000000, 0.0000000000000000, 0.0043417100000000 ] - [ 0.0009664100000000, 0.0000000000000000, -0.0002601200000000 ] - [ -0.0040536900000000, -0.0001722700000000, -0.0001874500000000 ] - [ 0.0007367900000000, 0.0000422200000000, -0.0002745400000000 ] - [ -0.0040536900000000, 0.0001722700000000, -0.0001874500000000 ] - [ 0.0007367900000000, -0.0000422200000000, -0.0002745400000000 ] - [ 0.0024033600000000, -0.0000949300000000, 0.0004271400000000 ] - [ 0.0047422300000000, 0.0098424100000000, 0.0090840300000000 ] - [ 0.0024033600000000, 0.0000949300000000, 0.0004271400000000 ] - [ 0.0047422300000000, -0.0098424100000000, 0.0090840300000000 ] - [ 0.0011481300000000, 0.0000000000000000, 0.0005129700000000 ] - [ 0.0005008800000000, 0.0000000000000000, 0.0006863300000000 ]- atom: 109 displacement: [ -0.0099999949782129, 0.0000000000000000, 0.0000100217621775 ] forces: - [ -0.0000652100000000, 0.0000000000000000, -0.0018562300000000 ] - [ 0.0009963700000000, 0.0000000000000000, 0.0006259100000000 ] - [ -0.0007060200000000, 0.0002239000000000, -0.0000711000000000 ] - [ 0.0007350600000000, -0.0000867700000000, 0.0005209100000000 ] - [ -0.0007060200000000, -0.0002239000000000, -0.0000711000000000 ] - [ 0.0007350600000000, 0.0000867700000000, 0.0005209100000000 ] - [ -0.0008292500000000, -0.0008329300000000, 0.0013250700000000 ] - [ 0.0006698800000000, 0.0003091900000000, -0.0004765800000000 ] - [ -0.0008292500000000, 0.0008329300000000, 0.0013250700000000 ] - [ 0.0006698800000000, -0.0003091900000000, -0.0004765800000000 ] - [ -0.0006459400000000, 0.0000000000000000, -0.0000004600000000 ] - [ 0.0003715900000000, 0.0000000000000000, -0.0002801100000000 ] - [ -0.0004262900000000, 0.0000000000000000, -0.0001405600000000 ] - [ -0.0014524900000000, 0.0000000000000000, 0.0017495000000000 ] - [ -0.0004650800000000, 0.0001175600000000, -0.0002002400000000 ] - [ -0.0011444100000000, -0.0011935000000000, 0.0010474300000000 ] - [ -0.0004650800000000, -0.0001175600000000, -0.0002002400000000 ] - [ -0.0011444100000000, 0.0011935000000000, 0.0010474300000000 ] - [ -0.0017018600000000, -0.0032398700000000, 0.0031408900000000 ] - [ 0.0013794400000000, -0.0000412500000000, 0.0004481800000000 ] - [ -0.0017018600000000, 0.0032398700000000, 0.0031408900000000 ] - [ 0.0013794400000000, 0.0000412500000000, 0.0004481800000000 ] - [ 0.0001330600000000, 0.0000000000000000, -0.0002092300000000 ] - [ 0.0013547500000000, 0.0000000000000000, 0.0004042300000000 ] - [ -0.0381487000000000, 0.0000000000000000, 0.0037507300000000 ] - [ -0.0002469600000000, 0.0000000000000000, 0.0005838400000000 ] - [ -0.0029897700000000, 0.0016605800000000, -0.0000912700000000 ] - [ -0.0004663000000000, -0.0002260700000000, 0.0005454500000000 ] - [ -0.0029897700000000, -0.0016605800000000, -0.0000912700000000 ] - [ -0.0004663000000000, 0.0002260700000000, 0.0005454500000000 ] - [ 0.0036819600000000, -0.0018505300000000, -0.0018896400000000 ] - [ 0.0036821200000000, 0.0006825500000000, 0.0005589300000000 ] - [ 0.0036819600000000, 0.0018505300000000, -0.0018896400000000 ] - [ 0.0036821200000000, -0.0006825500000000, 0.0005589300000000 ] - [ 0.0016456200000000, 0.0000000000000000, -0.0007192400000000 ] - [ 0.0020046700000000, 0.0000000000000000, -0.0002236000000000 ] - [ -0.0008116300000000, 0.0000000000000000, -0.0021374900000000 ] - [ -0.0370462900000000, 0.0000000000000000, -0.0018435100000000 ] - [ -0.0010233500000000, 0.0001190700000000, -0.0021008200000000 ] - [ -0.0023539800000000, -0.0013545700000000, -0.0025495200000000 ] - [ -0.0010233500000000, -0.0001190700000000, -0.0021008200000000 ] - [ -0.0023539800000000, 0.0013545700000000, -0.0025495200000000 ] - [ -0.0012580200000000, -0.0006976300000000, 0.0014296800000000 ] - [ 0.0022820300000000, -0.0000541400000000, 0.0023767200000000 ] - [ -0.0012580200000000, 0.0006976300000000, 0.0014296800000000 ] - [ 0.0022820300000000, 0.0000541400000000, 0.0023767200000000 ] - [ 0.0008573600000000, 0.0000000000000000, 0.0022729100000000 ] - [ 0.0020420600000000, 0.0000000000000000, 0.0023816700000000 ] - [ -0.0004940300000000, 0.0000000000000000, -0.0008491000000000 ] - [ -0.0008732700000000, 0.0000000000000000, -0.0031676100000000 ] - [ -0.0017237800000000, 0.0013945300000000, -0.0016353600000000 ] - [ -0.0027853400000000, -0.0003972900000000, -0.0025219200000000 ] - [ -0.0017237800000000, -0.0013945300000000, -0.0016353600000000 ] - [ -0.0027853400000000, 0.0003972900000000, -0.0025219200000000 ] - [ 0.0009669900000000, -0.0007774700000000, 0.0012678900000000 ] - [ 0.0041666300000000, 0.0000788200000000, 0.0029948500000000 ] - [ 0.0009669900000000, 0.0007774700000000, 0.0012678900000000 ] - [ 0.0041666300000000, -0.0000788200000000, 0.0029948500000000 ] - [ 0.0019591400000000, 0.0000000000000000, 0.0017846000000000 ] - [ 0.0041006600000000, 0.0000000000000000, 0.0029988800000000 ] - [ -0.0004627400000000, 0.0000000000000000, -0.0011471200000000 ] - [ 0.0018574600000000, 0.0000000000000000, 0.0007674800000000 ] - [ -0.0003853100000000, -0.0003052300000000, -0.0003855100000000 ] - [ 0.0017098100000000, 0.0000070200000000, 0.0007263700000000 ] - [ -0.0003853100000000, 0.0003052300000000, -0.0003855100000000 ] - [ 0.0017098100000000, -0.0000070200000000, 0.0007263700000000 ] - [ -0.0003470900000000, -0.0001560000000000, 0.0002054600000000 ] - [ -0.0012154600000000, 0.0002180700000000, -0.0006485200000000 ] - [ -0.0003470900000000, 0.0001560000000000, 0.0002054600000000 ] - [ -0.0012154600000000, -0.0002180700000000, -0.0006485200000000 ] - [ -0.0003025800000000, 0.0000000000000000, 0.0002621200000000 ] - [ -0.0013040600000000, 0.0000000000000000, -0.0002258700000000 ] - [ -0.0018395800000000, 0.0000000000000000, -0.0005987300000000 ] - [ -0.0019808000000000, 0.0000000000000000, 0.0004916700000000 ] - [ -0.0012980800000000, -0.0004739600000000, -0.0000858000000000 ] - [ -0.0016073600000000, 0.0002097600000000, 0.0002073000000000 ] - [ -0.0012980800000000, 0.0004739600000000, -0.0000858000000000 ] - [ -0.0016073600000000, -0.0002097600000000, 0.0002073000000000 ] - [ 0.0034433900000000, 0.0002830600000000, 0.0010043100000000 ] - [ -0.0001846600000000, -0.0000387800000000, -0.0010973700000000 ] - [ 0.0034433900000000, -0.0002830600000000, 0.0010043100000000 ] - [ -0.0001846600000000, 0.0000387800000000, -0.0010973700000000 ] - [ 0.0027735800000000, 0.0000000000000000, 0.0005120500000000 ] - [ 0.0000175400000000, 0.0000000000000000, -0.0011120400000000 ] - [ 0.0010295300000000, 0.0000000000000000, -0.0003385700000000 ] - [ -0.0024420200000000, 0.0000000000000000, -0.0017877600000000 ] - [ -0.0002626800000000, 0.0001932700000000, -0.0013231900000000 ] - [ -0.0024003800000000, 0.0000281900000000, -0.0018092800000000 ] - [ -0.0002626800000000, -0.0001932700000000, -0.0013231900000000 ] - [ -0.0024003800000000, -0.0000281900000000, -0.0018092800000000 ] - [ -0.0002640000000000, 0.0004988600000000, 0.0009462400000000 ] - [ 0.0018770800000000, -0.0044513100000000, 0.0065202200000000 ] - [ -0.0002640000000000, -0.0004988600000000, 0.0009462400000000 ] - [ 0.0018770800000000, 0.0044513100000000, 0.0065202200000000 ] - [ -0.0000149000000000, 0.0000000000000000, 0.0010496500000000 ] - [ 0.0015999600000000, 0.0000000000000000, 0.0023054800000000 ] - [ -0.0056702600000000, 0.0000000000000000, 0.0104790700000000 ] - [ -0.0033537100000000, 0.0000000000000000, -0.0023180900000000 ] - [ -0.0007609100000000, -0.0009928500000000, 0.0004918900000000 ] - [ -0.0029487500000000, 0.0005549500000000, -0.0020334700000000 ] - [ -0.0007609100000000, 0.0009928500000000, 0.0004918900000000 ] - [ -0.0029487500000000, -0.0005549500000000, -0.0020334700000000 ] - [ -0.0040927700000000, 0.0089065300000000, -0.0038687600000000 ] - [ 0.0003039400000000, -0.0009735500000000, 0.0009932700000000 ] - [ -0.0040927700000000, -0.0089065300000000, -0.0038687600000000 ] - [ 0.0003039400000000, 0.0009735500000000, 0.0009932700000000 ] - [ 0.0018311500000000, 0.0000000000000000, 0.0009351700000000 ] - [ 0.0012173400000000, 0.0000000000000000, 0.0009826300000000 ] - [ 0.0978027800000000, 0.0000000000000000, -0.0050221600000000 ] - [ -0.0019771500000000, 0.0000000000000000, -0.0006626300000000 ] - [ 0.0030274600000000, 0.0001320200000000, -0.0007264500000000 ] - [ -0.0017493300000000, -0.0000225700000000, -0.0006437500000000 ] - [ 0.0030274600000000, -0.0001320200000000, -0.0007264500000000 ] - [ -0.0017493300000000, 0.0000225700000000, -0.0006437500000000 ] - [ -0.0013862500000000, 0.0001139800000000, 0.0004908800000000 ] - [ -0.0037852900000000, -0.0099333300000000, -0.0082594500000000 ] - [ -0.0013862500000000, -0.0001139800000000, 0.0004908800000000 ] - [ -0.0037852900000000, 0.0099333300000000, -0.0082594500000000 ] - [ -0.0001370500000000, 0.0000000000000000, 0.0004094500000000 ] - [ 0.0005203800000000, 0.0000000000000000, 0.0002452100000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000993800000000, 0.0023455700000000, 0.0002969600000000 ] - [ 0.0001019500000000, 0.0000657700000000, 0.0003014300000000 ] - [ -0.0005122200000000, -0.0011787900000000, 0.0000630900000000 ] - [ 0.0003575700000000, -0.0000297000000000, 0.0004171900000000 ] - [ 0.0007036700000000, -0.0011546700000000, 0.0005323800000000 ] - [ -0.0001620000000000, -0.0000068700000000, 0.0001786400000000 ] - [ 0.0017257500000000, 0.0003681100000000, 0.0001544600000000 ] - [ -0.0002848800000000, 0.0001481300000000, -0.0002466800000000 ] - [ -0.0019323900000000, 0.0003937800000000, -0.0007481100000000 ] - [ 0.0000908100000000, 0.0001710100000000, -0.0003485700000000 ] - [ -0.0001020800000000, -0.0005722500000000, -0.0003016900000000 ] - [ -0.0001005000000000, -0.0003019700000000, -0.0003013900000000 ] - [ -0.0008035800000000, 0.0000512900000000, -0.0001766700000000 ] - [ -0.0007933900000000, 0.0028670500000000, -0.0001750000000000 ] - [ -0.0009063600000000, -0.0000413900000000, -0.0003780400000000 ] - [ 0.0002932200000000, -0.0017447300000000, 0.0006759500000000 ] - [ -0.0007075700000000, -0.0000107000000000, 0.0000010600000000 ] - [ -0.0019088700000000, -0.0017156400000000, -0.0010499800000000 ] - [ 0.0015397500000000, 0.0230356500000000, -0.0177317100000000 ] - [ 0.0007767100000000, 0.0000034000000000, 0.0001526400000000 ] - [ -0.0000476400000000, 0.0238196000000000, 0.0189878500000000 ] - [ 0.0008382000000000, 0.0000349000000000, 0.0002244600000000 ] - [ 0.0008054200000000, -0.0058430500000000, 0.0001723800000000 ] - [ 0.0008042100000000, -0.0000459100000000, 0.0001762800000000 ] - [ -0.0015962500000000, 0.0008312300000000, 0.0003870800000000 ] - [ -0.0014939600000000, 0.0002157800000000, 0.0003717100000000 ] - [ -0.0037387100000000, -0.0009364800000000, 0.0002531300000000 ] - [ -0.0014195300000000, -0.0001422200000000, 0.0003155400000000 ] - [ 0.0007325900000000, -0.0008970700000000, 0.0004864300000000 ] - [ -0.0015669100000000, -0.0001036100000000, 0.0004239900000000 ] - [ 0.0015716100000000, 0.0004748600000000, -0.0003423800000000 ] - [ 0.0000660500000000, 0.0000164000000000, -0.0003507800000000 ] - [ 0.0014223700000000, 0.0005206100000000, -0.0004018700000000 ] - [ 0.0029276300000000, 0.0000543000000000, -0.0003886400000000 ] - [ 0.0014916100000000, -0.0007587900000000, -0.0003708500000000 ] - [ 0.0014952600000000, -0.0003588600000000, -0.0003714700000000 ] - [ -0.0015798300000000, 0.0000790300000000, -0.0022266700000000 ] - [ -0.0014438600000000, 0.0065144700000000, -0.0022151000000000 ] - [ -0.0016080300000000, -0.0000497400000000, -0.0021979200000000 ] - [ -0.0002961300000000, -0.0019259100000000, -0.0021055100000000 ] - [ -0.0015540000000000, -0.0000265300000000, -0.0022474400000000 ] - [ -0.0028635900000000, -0.0019083800000000, -0.0023359200000000 ] - [ -0.0004149800000000, 0.0111243100000000, 0.0092335800000000 ] - [ 0.0016158500000000, 0.0000268400000000, 0.0022565900000000 ] - [ 0.0035392500000000, 0.0116671300000000, -0.0053274800000000 ] - [ 0.0015479000000000, 0.0000507800000000, 0.0021880300000000 ] - [ 0.0015833700000000, -0.0062093000000000, 0.0022340700000000 ] - [ 0.0015804200000000, -0.0000894200000000, 0.0022267600000000 ] - [ -0.0031302500000000, 0.0005695700000000, -0.0025294800000000 ] - [ -0.0031364300000000, 0.0009091900000000, -0.0025309800000000 ] - [ -0.0032804900000000, -0.0002717000000000, -0.0024933900000000 ] - [ -0.0025938800000000, -0.0004531500000000, -0.0024607300000000 ] - [ -0.0029976800000000, -0.0002577500000000, -0.0025568000000000 ] - [ -0.0036839900000000, -0.0004306600000000, -0.0025915000000000 ] - [ 0.0047378800000000, 0.0008135400000000, 0.0020361900000000 ] - [ 0.0031076600000000, 0.0000596200000000, 0.0025183700000000 ] - [ 0.0015298800000000, 0.0008388400000000, 0.0030177500000000 ] - [ 0.0031743300000000, 0.0000815000000000, 0.0025341600000000 ] - [ 0.0031339300000000, -0.0013595400000000, 0.0025329700000000 ] - [ 0.0031343400000000, -0.0001441000000000, 0.0025328700000000 ] - [ 0.0009321000000000, 0.0037734400000000, 0.0002177500000000 ] - [ 0.0009236200000000, 0.0000854200000000, 0.0002320200000000 ] - [ 0.0014359800000000, -0.0015852400000000, -0.0002039800000000 ] - [ 0.0009360400000000, -0.0000500800000000, 0.0002661700000000 ] - [ 0.0004025300000000, -0.0015715700000000, 0.0006895800000000 ] - [ 0.0009083100000000, -0.0000337300000000, 0.0002169200000000 ] - [ -0.0007444300000000, 0.0001037300000000, -0.0001064500000000 ] - [ -0.0011219800000000, 0.0007588800000000, -0.0007805300000000 ] - [ -0.0010997500000000, 0.0001206900000000, -0.0003754900000000 ] - [ -0.0007189500000000, 0.0007687900000000, 0.0002981400000000 ] - [ -0.0009225200000000, -0.0001969700000000, -0.0002307400000000 ] - [ -0.0009251100000000, -0.0015886100000000, -0.0002316700000000 ] - [ -0.0011757600000000, -0.0015119900000000, 0.0005671100000000 ] - [ -0.0011771200000000, -0.0008090700000000, 0.0005643500000000 ] - [ -0.0005286600000000, 0.0007828500000000, 0.0008055000000000 ] - [ -0.0015842500000000, 0.0003681300000000, 0.0000086700000000 ] - [ -0.0018012900000000, 0.0007678400000000, 0.0003283900000000 ] - [ -0.0007493200000000, 0.0003506600000000, 0.0011263700000000 ] - [ -0.0006718400000000, -0.0008045600000000, -0.0075012100000000 ] - [ 0.0012500900000000, -0.0001109000000000, -0.0005533300000000 ] - [ 0.0030124300000000, -0.0008016300000000, 0.0063889800000000 ] - [ 0.0010815500000000, -0.0001259600000000, -0.0005815700000000 ] - [ 0.0011755200000000, 0.0023848800000000, -0.0005647300000000 ] - [ 0.0011755700000000, 0.0002433000000000, -0.0005678100000000 ] - [ -0.0013673500000000, -0.0091915000000000, -0.0013847100000000 ] - [ -0.0013660200000000, -0.0002401300000000, -0.0013892100000000 ] - [ -0.0014229700000000, 0.0043757400000000, -0.0046398500000000 ] - [ -0.0013200800000000, 0.0001251700000000, -0.0013792900000000 ] - [ -0.0013144700000000, 0.0043629800000000, 0.0018504800000000 ] - [ -0.0014134700000000, 0.0001094200000000, -0.0014106900000000 ] - [ 0.0013098200000000, -0.0000987500000000, 0.0014303600000000 ] - [ 0.0071482900000000, -0.0018284800000000, 0.0004575500000000 ] - [ 0.0014199700000000, -0.0001163100000000, 0.0013582200000000 ] - [ -0.0044454400000000, -0.0018464300000000, 0.0023260900000000 ] - [ 0.0013643900000000, 0.0002106500000000, 0.0013893600000000 ] - [ 0.0013634800000000, 0.0023982200000000, 0.0013927000000000 ] - [ -0.0018394400000000, -0.0024349900000000, -0.0012507100000000 ] - [ -0.0018331900000000, -0.0006441900000000, -0.0012736900000000 ] - [ -0.0007663500000000, 0.0010597000000000, -0.0014034300000000 ] - [ -0.0020245600000000, 0.0003384400000000, -0.0013662300000000 ] - [ -0.0028884100000000, 0.0010562500000000, -0.0011545000000000 ] - [ -0.0016362800000000, 0.0003302200000000, -0.0011899600000000 ] - [ 0.0001965600000000, -0.0008707800000000, 0.0018416900000000 ] - [ 0.0020132800000000, -0.0003180100000000, 0.0011298700000000 ] - [ 0.0034495700000000, -0.0009218300000000, 0.0006938900000000 ] - [ 0.0016458000000000, -0.0003272100000000, 0.0014266400000000 ] - [ 0.0018382100000000, 0.0019464600000000, 0.0012777300000000 ] - [ 0.0018316400000000, 0.0006300300000000, 0.0012728800000000 ] - [ -0.0002681900000000, -0.1017987500000000, -0.0008385000000000 ] - [ -0.0005001100000000, -0.0001026500000000, -0.0004616200000000 ] - [ -0.0003530200000000, 0.0205471300000000, -0.0014323000000000 ] - [ -0.0005333700000000, 0.0000640400000000, -0.0004471500000000 ] - [ -0.0006548000000000, 0.0202620000000000, 0.0005011700000000 ] - [ -0.0004688700000000, 0.0000450400000000, -0.0004716100000000 ] - [ 0.0003940700000000, -0.0000786500000000, 0.0004331400000000 ] - [ 0.0103683000000000, -0.0002322300000000, 0.0016068200000000 ] - [ 0.0006028900000000, -0.0000985400000000, 0.0004863800000000 ] - [ -0.0094087200000000, -0.0002560000000000, -0.0006960600000000 ] - [ 0.0005004200000000, 0.0002013200000000, 0.0004614100000000 ] - [ 0.0004970300000000, 0.0028409300000000, 0.0004594500000000 ]- atom: 109 displacement: [ -0.0032316847127924, 0.0000000000000000, 0.0094634144956831 ] forces: - [ 0.0002375800000000, 0.0000000000000000, -0.0017618000000000 ] - [ -0.0000474200000000, 0.0000000000000000, 0.0002562600000000 ] - [ -0.0002028300000000, -0.0003936000000000, -0.0005475900000000 ] - [ -0.0000191100000000, -0.0000393500000000, 0.0002919800000000 ] - [ -0.0002028300000000, 0.0003936000000000, -0.0005475900000000 ] - [ -0.0000191100000000, 0.0000393500000000, 0.0002919800000000 ] - [ -0.0017042200000000, -0.0001909900000000, 0.0001609900000000 ] - [ -0.0000007100000000, 0.0000423300000000, -0.0005348400000000 ] - [ -0.0017042200000000, 0.0001909900000000, 0.0001609900000000 ] - [ -0.0000007100000000, -0.0000423300000000, -0.0005348400000000 ] - [ -0.0004627200000000, 0.0000000000000000, -0.0000224000000000 ] - [ 0.0000259400000000, 0.0000000000000000, -0.0004881400000000 ] - [ -0.0008622600000000, 0.0000000000000000, -0.0005170800000000 ] - [ -0.0019148100000000, 0.0000000000000000, -0.0001735400000000 ] - [ -0.0008293900000000, 0.0000309900000000, -0.0004480700000000 ] - [ -0.0017065500000000, 0.0008887000000000, -0.0003311700000000 ] - [ -0.0008293900000000, -0.0000309900000000, -0.0004480700000000 ] - [ -0.0017065500000000, -0.0008887000000000, -0.0003311700000000 ] - [ -0.0013623900000000, -0.0207482000000000, 0.0233017200000000 ] - [ 0.0008683500000000, -0.0000280200000000, 0.0001495600000000 ] - [ -0.0013623900000000, 0.0207482000000000, 0.0233017200000000 ] - [ 0.0008683500000000, 0.0000280200000000, 0.0001495600000000 ] - [ 0.0007413600000000, 0.0000000000000000, 0.0014725500000000 ] - [ 0.0008751500000000, 0.0000000000000000, 0.0001570600000000 ] - [ -0.0153085900000000, 0.0000000000000000, 0.0025847200000000 ] - [ -0.0011893100000000, 0.0000000000000000, 0.0005076500000000 ] - [ -0.0018924700000000, 0.0006255700000000, 0.0010088600000000 ] - [ -0.0012587400000000, -0.0000260900000000, 0.0004857800000000 ] - [ -0.0018924700000000, -0.0006255700000000, 0.0010088600000000 ] - [ -0.0012587400000000, 0.0000260900000000, 0.0004857800000000 ] - [ 0.0023870000000000, -0.0006804000000000, -0.0007632300000000 ] - [ 0.0011181200000000, 0.0001169500000000, 0.0000923400000000 ] - [ 0.0023870000000000, 0.0006804000000000, -0.0007632300000000 ] - [ 0.0011181200000000, -0.0001169500000000, 0.0000923400000000 ] - [ 0.0016003700000000, 0.0000000000000000, -0.0004403400000000 ] - [ 0.0017171700000000, 0.0000000000000000, -0.0001119400000000 ] - [ -0.0014084900000000, 0.0000000000000000, -0.0022768500000000 ] - [ -0.0140154600000000, 0.0000000000000000, 0.0028394400000000 ] - [ -0.0014801800000000, 0.0000488500000000, -0.0022500400000000 ] - [ -0.0010272500000000, -0.0006965400000000, 0.0000270500000000 ] - [ -0.0014801800000000, -0.0000488500000000, -0.0022500400000000 ] - [ -0.0010272500000000, 0.0006965400000000, 0.0000270500000000 ] - [ -0.0007027700000000, 0.0068473900000000, 0.0157769000000000 ] - [ 0.0017006000000000, -0.0000206600000000, 0.0021671900000000 ] - [ -0.0007027700000000, -0.0068473900000000, 0.0157769000000000 ] - [ 0.0017006000000000, 0.0000206600000000, 0.0021671900000000 ] - [ 0.0013760200000000, 0.0000000000000000, 0.0042134200000000 ] - [ 0.0016276400000000, 0.0000000000000000, 0.0021788100000000 ] - [ -0.0022118900000000, 0.0000000000000000, -0.0016215300000000 ] - [ -0.0018930300000000, 0.0000000000000000, -0.0025370300000000 ] - [ -0.0026622900000000, 0.0004636700000000, -0.0020539500000000 ] - [ -0.0026727500000000, -0.0002840100000000, -0.0024771700000000 ] - [ -0.0026622900000000, -0.0004636700000000, -0.0020539500000000 ] - [ -0.0026727500000000, 0.0002840100000000, -0.0024771700000000 ] - [ 0.0045258700000000, -0.0002155000000000, 0.0009844900000000 ] - [ 0.0031960100000000, -0.0000104600000000, 0.0025831800000000 ] - [ 0.0045258700000000, 0.0002155000000000, 0.0009844900000000 ] - [ 0.0031960100000000, 0.0000104600000000, 0.0025831800000000 ] - [ 0.0032772100000000, 0.0000000000000000, 0.0020862800000000 ] - [ 0.0032363800000000, 0.0000000000000000, 0.0026124300000000 ] - [ 0.0016109200000000, 0.0000000000000000, -0.0014997300000000 ] - [ 0.0010147600000000, 0.0000000000000000, 0.0003572300000000 ] - [ 0.0014625700000000, -0.0011186000000000, -0.0010542100000000 ] - [ 0.0009677000000000, 0.0000003700000000, 0.0003452300000000 ] - [ 0.0014625700000000, 0.0011186000000000, -0.0010542100000000 ] - [ 0.0009677000000000, -0.0000003700000000, 0.0003452300000000 ] - [ -0.0011751500000000, -0.0000255300000000, -0.0002621800000000 ] - [ -0.0009919900000000, -0.0002000000000000, -0.0020429200000000 ] - [ -0.0011751500000000, 0.0000255300000000, -0.0002621800000000 ] - [ -0.0009919900000000, 0.0002000000000000, -0.0020429200000000 ] - [ -0.0010414300000000, 0.0000000000000000, -0.0001257600000000 ] - [ -0.0009401100000000, 0.0000000000000000, -0.0006578900000000 ] - [ -0.0004354500000000, 0.0000000000000000, 0.0008814800000000 ] - [ -0.0011199500000000, 0.0000000000000000, 0.0018112400000000 ] - [ -0.0005146300000000, 0.0003906000000000, 0.0007783400000000 ] - [ -0.0010783200000000, -0.0000512900000000, 0.0011989600000000 ] - [ -0.0005146300000000, -0.0003906000000000, 0.0007783400000000 ] - [ -0.0010783200000000, 0.0000512900000000, 0.0011989600000000 ] - [ 0.0025974400000000, -0.0010488800000000, 0.0071973900000000 ] - [ 0.0010766600000000, 0.0000510800000000, -0.0005549300000000 ] - [ 0.0025974400000000, 0.0010488800000000, 0.0071973900000000 ] - [ 0.0010766600000000, -0.0000510800000000, -0.0005549300000000 ] - [ 0.0017250800000000, 0.0000000000000000, 0.0003098500000000 ] - [ 0.0011060600000000, 0.0000000000000000, -0.0005547700000000 ] - [ -0.0021513800000000, 0.0000000000000000, 0.0092999100000000 ] - [ -0.0013346400000000, 0.0000000000000000, -0.0013657600000000 ] - [ -0.0021291900000000, -0.0027380200000000, 0.0024472200000000 ] - [ -0.0013776600000000, 0.0000452700000000, -0.0013885900000000 ] - [ -0.0021291900000000, 0.0027380200000000, 0.0024472200000000 ] - [ -0.0013776600000000, -0.0000452700000000, -0.0013885900000000 ] - [ 0.0010038300000000, 0.0002002600000000, 0.0012562700000000 ] - [ -0.0042135600000000, -0.0016122300000000, 0.0039796600000000 ] - [ 0.0010038300000000, -0.0002002600000000, 0.0012562700000000 ] - [ -0.0042135600000000, 0.0016122300000000, 0.0039796600000000 ] - [ 0.0010929000000000, 0.0000000000000000, 0.0013187100000000 ] - [ 0.0003201200000000, 0.0000000000000000, 0.0012424500000000 ] - [ -0.0055262700000000, 0.0000000000000000, 0.0030031700000000 ] - [ -0.0019160600000000, 0.0000000000000000, -0.0015326000000000 ] - [ -0.0023958900000000, -0.0009144600000000, -0.0006594300000000 ] - [ -0.0019109800000000, -0.0000473500000000, -0.0014966700000000 ] - [ -0.0023958900000000, 0.0009144600000000, -0.0006594300000000 ] - [ -0.0019109800000000, 0.0000473500000000, -0.0014966700000000 ] - [ 0.0002886000000000, 0.0035725900000000, -0.0017525700000000 ] - [ 0.0011826700000000, -0.0003647700000000, 0.0010102900000000 ] - [ 0.0002886000000000, -0.0035725900000000, -0.0017525700000000 ] - [ 0.0011826700000000, 0.0003647700000000, 0.0010102900000000 ] - [ 0.0019317000000000, 0.0000000000000000, 0.0008934100000000 ] - [ 0.0014230400000000, 0.0000000000000000, 0.0011607500000000 ] - [ 0.0357391100000000, 0.0000000000000000, -0.0831919000000000 ] - [ -0.0007921400000000, 0.0000000000000000, -0.0003706300000000 ] - [ 0.0008834100000000, 0.0009590100000000, -0.0122892800000000 ] - [ -0.0007351100000000, -0.0000125100000000, -0.0003868900000000 ] - [ 0.0008834100000000, -0.0009590100000000, -0.0122892800000000 ] - [ -0.0007351100000000, 0.0000125100000000, -0.0003868900000000 ] - [ -0.0001352200000000, 0.0000184400000000, 0.0007170400000000 ] - [ 0.0073344700000000, -0.0020910700000000, -0.0042108800000000 ] - [ -0.0001352200000000, -0.0000184400000000, 0.0007170400000000 ] - [ 0.0073344700000000, 0.0020910700000000, -0.0042108800000000 ] - [ 0.0003475700000000, 0.0000000000000000, 0.0006757800000000 ] - [ 0.0007174200000000, 0.0000000000000000, -0.0015245800000000 ]- atom: 109 displacement: [ 0.0032316847127924, 0.0000000000000000, -0.0094634144956831 ] forces: - [ -0.0000470800000000, 0.0000000000000000, 0.0023535200000000 ] - [ 0.0002369100000000, 0.0000000000000000, 0.0003423900000000 ] - [ 0.0003821900000000, 0.0003695800000000, 0.0011392500000000 ] - [ 0.0001997800000000, 0.0000163400000000, 0.0002988100000000 ] - [ 0.0003821900000000, -0.0003695800000000, 0.0011392500000000 ] - [ 0.0001997800000000, -0.0000163400000000, 0.0002988100000000 ] - [ 0.0015167500000000, 0.0001689600000000, -0.0007564900000000 ] - [ -0.0001774500000000, -0.0000644300000000, -0.0000564100000000 ] - [ 0.0015167500000000, -0.0001689600000000, -0.0007564900000000 ] - [ -0.0001774500000000, 0.0000644300000000, -0.0000564100000000 ] - [ 0.0002756300000000, 0.0000000000000000, -0.0005753700000000 ] - [ -0.0002120600000000, 0.0000000000000000, -0.0001103200000000 ] - [ -0.0007130500000000, 0.0000000000000000, 0.0001733700000000 ] - [ 0.0003431200000000, 0.0000000000000000, -0.0001599400000000 ] - [ -0.0007525700000000, -0.0000622400000000, 0.0000796200000000 ] - [ 0.0001210400000000, -0.0009196100000000, -0.0000387900000000 ] - [ -0.0007525700000000, 0.0000622400000000, 0.0000796200000000 ] - [ 0.0001210400000000, 0.0009196100000000, -0.0000387900000000 ] - [ 0.0029051500000000, 0.0198503100000000, -0.0223438600000000 ] - [ 0.0007143100000000, -0.0000038100000000, 0.0002189600000000 ] - [ 0.0029051500000000, -0.0198503100000000, -0.0223438600000000 ] - [ 0.0007143100000000, 0.0000038100000000, 0.0002189600000000 ] - [ 0.0008336600000000, 0.0000000000000000, -0.0011377700000000 ] - [ 0.0007009400000000, 0.0000000000000000, 0.0001869400000000 ] - [ 0.0124692700000000, 0.0000000000000000, -0.0017491900000000 ] - [ -0.0018020700000000, 0.0000000000000000, 0.0002318400000000 ] - [ -0.0011032700000000, -0.0006624600000000, -0.0002740200000000 ] - [ -0.0017314900000000, -0.0000128700000000, 0.0002502500000000 ] - [ -0.0011032700000000, 0.0006624600000000, -0.0002740200000000 ] - [ -0.0017314900000000, 0.0000128700000000, 0.0002502500000000 ] - [ 0.0006041400000000, 0.0006411500000000, 0.0000251000000000 ] - [ 0.0018768000000000, -0.0001557500000000, -0.0008292700000000 ] - [ 0.0006041400000000, -0.0006411500000000, 0.0000251000000000 ] - [ 0.0018768000000000, 0.0001557500000000, -0.0008292700000000 ] - [ 0.0013920600000000, 0.0000000000000000, -0.0002996400000000 ] - [ 0.0012767600000000, 0.0000000000000000, -0.0006262800000000 ] - [ -0.0017420600000000, 0.0000000000000000, -0.0021617400000000 ] - [ 0.0108014500000000, 0.0000000000000000, -0.0072911300000000 ] - [ -0.0016723700000000, -0.0000728600000000, -0.0021798300000000 ] - [ -0.0021161900000000, 0.0006597900000000, -0.0044581900000000 ] - [ -0.0016723700000000, 0.0000728600000000, -0.0021798300000000 ] - [ -0.0021161900000000, -0.0006597900000000, -0.0044581900000000 ] - [ 0.0038132400000000, -0.0073159700000000, -0.0117536600000000 ] - [ 0.0014529700000000, -0.0000029100000000, 0.0022627200000000 ] - [ 0.0038132400000000, 0.0073159700000000, -0.0117536600000000 ] - [ 0.0014529700000000, 0.0000029100000000, 0.0022627200000000 ] - [ 0.0017739300000000, 0.0000000000000000, 0.0002370400000000 ] - [ 0.0015239700000000, 0.0000000000000000, 0.0022595800000000 ] - [ -0.0040318700000000, 0.0000000000000000, -0.0034173600000000 ] - [ -0.0043535800000000, 0.0000000000000000, -0.0025052100000000 ] - [ -0.0035981400000000, -0.0004837100000000, -0.0029745600000000 ] - [ -0.0035874300000000, 0.0002627000000000, -0.0025529500000000 ] - [ -0.0035981400000000, 0.0004837100000000, -0.0029745600000000 ] - [ -0.0035874300000000, -0.0002627000000000, -0.0025529500000000 ] - [ 0.0017349100000000, 0.0001961600000000, 0.0040350500000000 ] - [ 0.0030670300000000, -0.0000110600000000, 0.0024462100000000 ] - [ 0.0017349100000000, -0.0001961600000000, 0.0040350500000000 ] - [ 0.0030670300000000, 0.0000110600000000, 0.0024462100000000 ] - [ 0.0029724900000000, 0.0000000000000000, 0.0029559200000000 ] - [ 0.0030135700000000, 0.0000000000000000, 0.0024303700000000 ] - [ 0.0002216300000000, 0.0000000000000000, 0.0019868800000000 ] - [ 0.0008256000000000, 0.0000000000000000, 0.0001198900000000 ] - [ 0.0003701500000000, 0.0010990600000000, 0.0015534500000000 ] - [ 0.0008695700000000, -0.0000166600000000, 0.0001504400000000 ] - [ 0.0003701500000000, -0.0010990600000000, 0.0015534500000000 ] - [ 0.0008695700000000, 0.0000166600000000, 0.0001504400000000 ] - [ -0.0006618100000000, 0.0000087500000000, -0.0002335700000000 ] - [ -0.0008446200000000, 0.0001888800000000, 0.0015520700000000 ] - [ -0.0006618100000000, -0.0000087500000000, -0.0002335700000000 ] - [ -0.0008446200000000, -0.0001888800000000, 0.0015520700000000 ] - [ -0.0007978600000000, 0.0000000000000000, -0.0003504700000000 ] - [ -0.0009020900000000, 0.0000000000000000, 0.0001801100000000 ] - [ -0.0019127700000000, 0.0000000000000000, 0.0002544100000000 ] - [ -0.0012279000000000, 0.0000000000000000, -0.0006792600000000 ] - [ -0.0018128500000000, -0.0003742900000000, 0.0003572900000000 ] - [ -0.0012504700000000, 0.0000683500000000, -0.0000617200000000 ] - [ -0.0018128500000000, 0.0003742900000000, 0.0003572900000000 ] - [ -0.0012504700000000, -0.0000683500000000, -0.0000617200000000 ] - [ -0.0002713200000000, 0.0010490200000000, -0.0083268800000000 ] - [ 0.0012496300000000, -0.0000363800000000, -0.0005808600000000 ] - [ -0.0002713200000000, -0.0010490200000000, -0.0083268800000000 ] - [ 0.0012496300000000, 0.0000363800000000, -0.0005808600000000 ] - [ 0.0006248600000000, 0.0000000000000000, -0.0014476500000000 ] - [ 0.0012398200000000, 0.0000000000000000, -0.0005821700000000 ] - [ -0.0005894900000000, 0.0000000000000000, -0.0122054100000000 ] - [ -0.0013983400000000, 0.0000000000000000, -0.0014185800000000 ] - [ -0.0006083900000000, 0.0027591200000000, -0.0052385500000000 ] - [ -0.0013575000000000, -0.0000296900000000, -0.0014073400000000 ] - [ -0.0006083900000000, -0.0027591200000000, -0.0052385500000000 ] - [ -0.0013575000000000, 0.0000296900000000, -0.0014073400000000 ] - [ 0.0017275100000000, -0.0001835900000000, 0.0015383700000000 ] - [ 0.0069237600000000, 0.0016143500000000, -0.0011824300000000 ] - [ 0.0017275100000000, 0.0001835900000000, 0.0015383700000000 ] - [ 0.0069237600000000, -0.0016143500000000, -0.0011824300000000 ] - [ 0.0016384000000000, 0.0000000000000000, 0.0014662900000000 ] - [ 0.0024131700000000, 0.0000000000000000, 0.0015470100000000 ] - [ 0.0018748000000000, 0.0000000000000000, -0.0055384100000000 ] - [ -0.0017544100000000, 0.0000000000000000, -0.0010138500000000 ] - [ -0.0012653100000000, 0.0009235500000000, -0.0018942300000000 ] - [ -0.0017538100000000, 0.0000547800000000, -0.0010597500000000 ] - [ -0.0012653100000000, -0.0009235500000000, -0.0018942300000000 ] - [ -0.0017538100000000, -0.0000547800000000, -0.0010597500000000 ] - [ 0.0033673200000000, -0.0035518900000000, 0.0043003700000000 ] - [ 0.0024805300000000, 0.0003721800000000, 0.0015441300000000 ] - [ 0.0033673200000000, 0.0035518900000000, 0.0043003700000000 ] - [ 0.0024805300000000, -0.0003721800000000, 0.0015441300000000 ] - [ 0.0017368300000000, 0.0000000000000000, 0.0016522100000000 ] - [ 0.0022446300000000, 0.0000000000000000, 0.0013848800000000 ] - [ -0.0366345900000000, 0.0000000000000000, 0.0818870200000000 ] - [ -0.0002154200000000, 0.0000000000000000, -0.0005427400000000 ] - [ -0.0018841200000000, -0.0009686000000000, 0.0113855300000000 ] - [ -0.0002747000000000, 0.0000319200000000, -0.0005216400000000 ] - [ -0.0018841200000000, 0.0009686000000000, 0.0113855300000000 ] - [ -0.0002747000000000, -0.0000319200000000, -0.0005216400000000 ] - [ 0.0011423600000000, 0.0000009000000000, 0.0001914200000000 ] - [ -0.0063190200000000, 0.0021208800000000, 0.0051435400000000 ] - [ 0.0011423600000000, -0.0000009000000000, 0.0001914200000000 ] - [ -0.0063190200000000, -0.0021208800000000, 0.0051435400000000 ] - [ 0.0006575000000000, 0.0000000000000000, 0.0002365400000000 ] - [ 0.0002910100000000, 0.0000000000000000, 0.0024311300000000 ]