# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0b818ac6-64ea-4992-acff-712bdffaec9c/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 Nb4Ag2O11 / R3c (161) / materials id 984755](https://mdr.nims.go.jp/datasets/6170637f-9463-4ab5-a213-28144349ee45) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "R3c" number: 161 Hall_symbol: "R 3 -2\"c"primitive_matrix:- [ 0.666666666666667, -0.333333333333333, -0.333333333333333 ]- [ 0.333333333333333, 0.333333333333333, -0.666666666666667 ]- [ 0.333333333333333, 0.333333333333333, 0.333333333333333 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 3.104844880000003, 1.792583023333332, 12.530948133333320 ] # a - [ -3.104844879999997, 1.792583023333332, 12.530948133333320 ] # b - [ 0.000000000000003, -3.585166046666668, 12.530948133333320 ] # c points: - symbol: Nb # 1 coordinates: [ 0.003708680000000, 0.003708680000000, 0.003708680000000 ] mass: 92.906380 - symbol: Nb # 2 coordinates: [ 0.503708680000000, 0.503708690000001, 0.503708680000000 ] mass: 92.906380 - symbol: Nb # 3 coordinates: [ 0.621514100000000, 0.885665720000001, 0.246481500000000 ] mass: 92.906380 - symbol: Nb # 4 coordinates: [ 0.246481500000000, 0.621514100000001, 0.885665720000000 ] mass: 92.906380 - symbol: Nb # 5 coordinates: [ 0.885665720000000, 0.246481500000001, 0.621514100000000 ] mass: 92.906380 - symbol: Nb # 6 coordinates: [ 0.385665710000000, 0.121514110000000, 0.746481490000000 ] mass: 92.906380 - symbol: Nb # 7 coordinates: [ 0.121514090000000, 0.746481510000000, 0.385665710000000 ] mass: 92.906380 - symbol: Nb # 8 coordinates: [ 0.746481490000000, 0.385665730000000, 0.121514090000000 ] mass: 92.906380 - symbol: Ag # 9 coordinates: [ 0.332438680000000, 0.332438680000001, 0.332438680000000 ] mass: 107.868200 - symbol: Ag # 10 coordinates: [ 0.832438690000000, 0.832438680000000, 0.832438690000000 ] mass: 107.868200 - symbol: Ag # 11 coordinates: [ 0.173186970000000, 0.173186970000001, 0.173186970000000 ] mass: 107.868200 - symbol: Ag # 12 coordinates: [ 0.673186980000000, 0.673186970000000, 0.673186980000000 ] mass: 107.868200 - symbol: O # 13 coordinates: [ 0.724914390000000, 0.933671680000001, 0.243423300000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.243423300000000, 0.724914400000001, 0.933671670000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.933671670000000, 0.243423310000001, 0.724914390000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.433671670000000, 0.224914390000000, 0.743423300000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.224914380000000, 0.743423310000000, 0.433671670000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.743423300000000, 0.433671680000000, 0.224914380000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.090047780000000, 0.090047780000000, 0.090047780000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.590047770000000, 0.590047780000001, 0.590047770000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.402701940000000, 0.402701950000000, 0.402701940000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.902701940000000, 0.902701930000001, 0.902701940000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.994322670000000, 0.501548760000001, 0.250531030000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.250531030000000, 0.994322650000001, 0.501548780000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.501548780000000, 0.250531010000001, 0.994322670000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.001548770000000, 0.494322660000000, 0.750531020000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.494322670000000, 0.750531010000000, 0.001548770000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.750531020000000, 0.001548760000000, 0.494322670000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.247593950000000, 0.550258140000001, 0.787290770000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.787290770000000, 0.247593960000000, 0.550258130000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.550258130000000, 0.787290780000001, 0.247593950000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.050258130000000, 0.747593960000000, 0.287290760000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.747593950000000, 0.287290770000000, 0.050258130000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.287290760000000, 0.050258140000000, 0.747593950000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.161038641002896, 0.092975702936619, 0.026600807040821 ] # a* - [ -0.161038641002896, 0.092975702936619, 0.026600807040821 ] # b* - [ 0.000000000000000, -0.185951405873238, 0.026600807040821 ] # c*unit_cell: lattice: - [ 6.209689760000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.104844880000000, 5.377749070000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 37.592844399999997 ] # c points: - symbol: Nb # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.003708680000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.170375350000000 ] mass: 92.906380 reduced_to: 2 - symbol: Nb # 3 coordinates: [ 0.370293660000000, 0.004738940000000, 0.251220440000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 4 coordinates: [ 0.995261060000000, 0.365554720000000, 0.251220440000000 ] mass: 92.906380 reduced_to: 4 - symbol: Nb # 5 coordinates: [ 0.634445280000000, 0.629706340000000, 0.251220440000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 6 coordinates: [ 0.301111940000000, 0.338072280000000, 0.084553770000000 ] mass: 92.906380 reduced_to: 6 - symbol: Nb # 7 coordinates: [ 0.036960320000000, 0.698888060000000, 0.084553770000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 8 coordinates: [ 0.661927720000000, 0.963039680000000, 0.084553770000000 ] mass: 92.906380 reduced_to: 8 - symbol: Nb # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.337042020000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.503708680000000 ] mass: 92.906380 reduced_to: 2 - symbol: Nb # 11 coordinates: [ 0.036960320000000, 0.338072280000000, 0.584553770000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 12 coordinates: [ 0.661927720000000, 0.698888060000000, 0.584553770000000 ] mass: 92.906380 reduced_to: 4 - symbol: Nb # 13 coordinates: [ 0.301111940000000, 0.963039680000000, 0.584553770000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 14 coordinates: [ 0.967778610000000, 0.671405610000000, 0.417887100000000 ] mass: 92.906380 reduced_to: 6 - symbol: Nb # 15 coordinates: [ 0.703626990000000, 0.032221390000000, 0.417887100000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 16 coordinates: [ 0.328594390000000, 0.296373010000000, 0.417887100000000 ] mass: 92.906380 reduced_to: 8 - symbol: Nb # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.670375350000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 18 coordinates: [ 0.666666670000000, 0.333333330000000, 0.837042020000000 ] mass: 92.906380 reduced_to: 2 - symbol: Nb # 19 coordinates: [ 0.703626990000000, 0.671405610000000, 0.917887100000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 20 coordinates: [ 0.328594390000000, 0.032221390000000, 0.917887100000000 ] mass: 92.906380 reduced_to: 4 - symbol: Nb # 21 coordinates: [ 0.967778610000000, 0.296373010000000, 0.917887100000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 22 coordinates: [ 0.634445280000000, 0.004738940000000, 0.751220440000000 ] mass: 92.906380 reduced_to: 6 - symbol: Nb # 23 coordinates: [ 0.370293660000000, 0.365554720000000, 0.751220440000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 24 coordinates: [ 0.995261060000000, 0.629706340000000, 0.751220440000000 ] mass: 92.906380 reduced_to: 8 - symbol: Ag # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.332438680000000 ] mass: 107.868200 reduced_to: 25 - symbol: Ag # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.165772020000000 ] mass: 107.868200 reduced_to: 26 - symbol: Ag # 27 coordinates: [ 0.000000000000000, 0.000000000000000, 0.173186970000000 ] mass: 107.868200 reduced_to: 27 - symbol: Ag # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.006520310000000 ] mass: 107.868200 reduced_to: 28 - symbol: Ag # 29 coordinates: [ 0.666666670000000, 0.333333330000000, 0.665772020000000 ] mass: 107.868200 reduced_to: 25 - symbol: Ag # 30 coordinates: [ 0.333333330000000, 0.666666670000000, 0.499105350000000 ] mass: 107.868200 reduced_to: 26 - symbol: Ag # 31 coordinates: [ 0.666666670000000, 0.333333330000000, 0.506520310000000 ] mass: 107.868200 reduced_to: 27 - symbol: Ag # 32 coordinates: [ 0.333333330000000, 0.666666670000000, 0.339853640000000 ] mass: 107.868200 reduced_to: 28 - symbol: Ag # 33 coordinates: [ 0.333333330000000, 0.666666670000000, 0.999105350000000 ] mass: 107.868200 reduced_to: 25 - symbol: Ag # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.832438680000000 ] mass: 107.868200 reduced_to: 26 - symbol: Ag # 35 coordinates: [ 0.333333330000000, 0.666666670000000, 0.839853640000000 ] mass: 107.868200 reduced_to: 27 - symbol: Ag # 36 coordinates: [ 0.000000000000000, 0.000000000000000, 0.673186970000000 ] mass: 107.868200 reduced_to: 28 - symbol: O # 37 coordinates: [ 0.424244600000000, 0.057246490000000, 0.300669790000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.942753510000000, 0.366998120000000, 0.300669790000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.633001880000000, 0.575755400000000, 0.300669790000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.299668550000000, 0.390579820000000, 0.134003120000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.090911260000000, 0.700331450000000, 0.134003120000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.609420180000000, 0.909088740000000, 0.134003120000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.000000000000000, 0.000000000000000, 0.090047780000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.333333330000000, 0.666666670000000, 0.256714440000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.333333330000000, 0.666666670000000, 0.069368610000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.666666670000000, 0.333333330000000, 0.236035270000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.745521850000000, 0.998269790000000, 0.248800820000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.001730210000000, 0.747252040000000, 0.248800820000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.252747960000000, 0.254478150000000, 0.248800820000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.919414620000000, 0.331603130000000, 0.082134150000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.412188520000000, 0.080585380000000, 0.082134150000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.668396870000000, 0.587811480000000, 0.082134150000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.052546330000000, 0.407756850000000, 0.195047620000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.592243150000000, 0.644789490000000, 0.195047620000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.355210510000000, 0.947453670000000, 0.195047620000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.021877180000000, 0.741090190000000, 0.028380950000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.719213000000000, 0.978122820000000, 0.028380950000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.258909810000000, 0.280787000000000, 0.028380950000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.090911260000000, 0.390579820000000, 0.634003120000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 60 coordinates: [ 0.609420180000000, 0.700331450000000, 0.634003120000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 61 coordinates: [ 0.299668550000000, 0.909088740000000, 0.634003120000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 62 coordinates: [ 0.966335210000000, 0.723913150000000, 0.467336460000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 63 coordinates: [ 0.757577930000000, 0.033664790000000, 0.467336460000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 64 coordinates: [ 0.276086850000000, 0.242422070000000, 0.467336460000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 65 coordinates: [ 0.666666670000000, 0.333333330000000, 0.423381110000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 66 coordinates: [ 0.000000000000000, 0.000000000000000, 0.590047780000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 67 coordinates: [ 0.000000000000000, 0.000000000000000, 0.402701940000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 68 coordinates: [ 0.333333330000000, 0.666666670000000, 0.569368610000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 69 coordinates: [ 0.412188520000000, 0.331603130000000, 0.582134150000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 70 coordinates: [ 0.668396870000000, 0.080585380000000, 0.582134150000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 71 coordinates: [ 0.919414620000000, 0.587811480000000, 0.582134150000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 72 coordinates: [ 0.586081290000000, 0.664936460000000, 0.415467480000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 73 coordinates: [ 0.078855180000000, 0.413918710000000, 0.415467480000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 74 coordinates: [ 0.335063540000000, 0.921144820000000, 0.415467480000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 75 coordinates: [ 0.719213000000000, 0.741090190000000, 0.528380950000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 76 coordinates: [ 0.258909810000000, 0.978122820000000, 0.528380950000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 77 coordinates: [ 0.021877180000000, 0.280787000000000, 0.528380950000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 78 coordinates: [ 0.688543840000000, 0.074423520000000, 0.361714280000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 79 coordinates: [ 0.385879670000000, 0.311456160000000, 0.361714280000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 80 coordinates: [ 0.925576480000000, 0.614120330000000, 0.361714280000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 81 coordinates: [ 0.757577930000000, 0.723913150000000, 0.967336460000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 82 coordinates: [ 0.276086850000000, 0.033664790000000, 0.967336460000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 83 coordinates: [ 0.966335210000000, 0.242422070000000, 0.967336460000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 84 coordinates: [ 0.633001880000000, 0.057246490000000, 0.800669790000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 85 coordinates: [ 0.424244600000000, 0.366998120000000, 0.800669790000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 86 coordinates: [ 0.942753510000000, 0.575755400000000, 0.800669790000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 87 coordinates: [ 0.333333330000000, 0.666666670000000, 0.756714440000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 88 coordinates: [ 0.666666670000000, 0.333333330000000, 0.923381110000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 89 coordinates: [ 0.666666670000000, 0.333333330000000, 0.736035270000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 90 coordinates: [ 0.000000000000000, 0.000000000000000, 0.902701940000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 91 coordinates: [ 0.078855180000000, 0.664936460000000, 0.915467480000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 92 coordinates: [ 0.335063540000000, 0.413918710000000, 0.915467480000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 93 coordinates: [ 0.586081290000000, 0.921144820000000, 0.915467480000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 94 coordinates: [ 0.252747960000000, 0.998269790000000, 0.748800820000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 95 coordinates: [ 0.745521850000000, 0.747252040000000, 0.748800820000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 96 coordinates: [ 0.001730210000000, 0.254478150000000, 0.748800820000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 97 coordinates: [ 0.385879670000000, 0.074423520000000, 0.861714280000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 98 coordinates: [ 0.925576480000000, 0.311456160000000, 0.861714280000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 99 coordinates: [ 0.688543840000000, 0.614120330000000, 0.861714280000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 100 coordinates: [ 0.355210510000000, 0.407756850000000, 0.695047620000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 101 coordinates: [ 0.052546330000000, 0.644789490000000, 0.695047620000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 102 coordinates: [ 0.592243150000000, 0.947453670000000, 0.695047620000000 ] mass: 15.999400 reduced_to: 58supercell: lattice: - [ 6.209689760000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.104844880000000, 5.377749070000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 37.592844399999997 ] # c points: - symbol: Nb # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.003708680000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.170375350000000 ] mass: 92.906380 reduced_to: 2 - symbol: Nb # 3 coordinates: [ 0.370293660000000, 0.004738940000000, 0.251220440000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 4 coordinates: [ 0.995261060000000, 0.365554720000000, 0.251220440000000 ] mass: 92.906380 reduced_to: 4 - symbol: Nb # 5 coordinates: [ 0.634445280000000, 0.629706340000000, 0.251220440000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 6 coordinates: [ 0.301111940000000, 0.338072280000000, 0.084553770000000 ] mass: 92.906380 reduced_to: 6 - symbol: Nb # 7 coordinates: [ 0.036960320000000, 0.698888060000000, 0.084553770000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 8 coordinates: [ 0.661927720000000, 0.963039680000000, 0.084553770000000 ] mass: 92.906380 reduced_to: 8 - symbol: Nb # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.337042020000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.503708680000000 ] mass: 92.906380 reduced_to: 2 - symbol: Nb # 11 coordinates: [ 0.036960320000000, 0.338072280000000, 0.584553770000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 12 coordinates: [ 0.661927720000000, 0.698888060000000, 0.584553770000000 ] mass: 92.906380 reduced_to: 4 - symbol: Nb # 13 coordinates: [ 0.301111940000000, 0.963039680000000, 0.584553770000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 14 coordinates: [ 0.967778610000000, 0.671405610000000, 0.417887100000000 ] mass: 92.906380 reduced_to: 6 - symbol: Nb # 15 coordinates: [ 0.703626990000000, 0.032221390000000, 0.417887100000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 16 coordinates: [ 0.328594390000000, 0.296373010000000, 0.417887100000000 ] mass: 92.906380 reduced_to: 8 - symbol: Nb # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.670375350000000 ] mass: 92.906380 reduced_to: 1 - symbol: Nb # 18 coordinates: [ 0.666666670000000, 0.333333330000000, 0.837042020000000 ] mass: 92.906380 reduced_to: 2 - symbol: Nb # 19 coordinates: [ 0.703626990000000, 0.671405610000000, 0.917887100000000 ] mass: 92.906380 reduced_to: 3 - symbol: Nb # 20 coordinates: [ 0.328594390000000, 0.032221390000000, 0.917887100000000 ] mass: 92.906380 reduced_to: 4 - symbol: Nb # 21 coordinates: [ 0.967778610000000, 0.296373010000000, 0.917887100000000 ] mass: 92.906380 reduced_to: 5 - symbol: Nb # 22 coordinates: [ 0.634445280000000, 0.004738940000000, 0.751220440000000 ] mass: 92.906380 reduced_to: 6 - symbol: Nb # 23 coordinates: [ 0.370293660000000, 0.365554720000000, 0.751220440000000 ] mass: 92.906380 reduced_to: 7 - symbol: Nb # 24 coordinates: [ 0.995261060000000, 0.629706340000000, 0.751220440000000 ] mass: 92.906380 reduced_to: 8 - symbol: Ag # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.332438680000000 ] mass: 107.868200 reduced_to: 25 - symbol: Ag # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.165772020000000 ] mass: 107.868200 reduced_to: 26 - symbol: Ag # 27 coordinates: [ 0.000000000000000, 0.000000000000000, 0.173186970000000 ] mass: 107.868200 reduced_to: 27 - symbol: Ag # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.006520310000000 ] mass: 107.868200 reduced_to: 28 - symbol: Ag # 29 coordinates: [ 0.666666670000000, 0.333333330000000, 0.665772020000000 ] mass: 107.868200 reduced_to: 25 - symbol: Ag # 30 coordinates: [ 0.333333330000000, 0.666666670000000, 0.499105350000000 ] mass: 107.868200 reduced_to: 26 - symbol: Ag # 31 coordinates: [ 0.666666670000000, 0.333333330000000, 0.506520310000000 ] mass: 107.868200 reduced_to: 27 - symbol: Ag # 32 coordinates: [ 0.333333330000000, 0.666666670000000, 0.339853640000000 ] mass: 107.868200 reduced_to: 28 - symbol: Ag # 33 coordinates: [ 0.333333330000000, 0.666666670000000, 0.999105350000000 ] mass: 107.868200 reduced_to: 25 - symbol: Ag # 34 coordinates: [ 0.000000000000000, 0.000000000000000, 0.832438680000000 ] mass: 107.868200 reduced_to: 26 - symbol: Ag # 35 coordinates: [ 0.333333330000000, 0.666666670000000, 0.839853640000000 ] mass: 107.868200 reduced_to: 27 - symbol: Ag # 36 coordinates: [ 0.000000000000000, 0.000000000000000, 0.673186970000000 ] mass: 107.868200 reduced_to: 28 - symbol: O # 37 coordinates: [ 0.424244600000000, 0.057246490000000, 0.300669790000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.942753510000000, 0.366998120000000, 0.300669790000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.633001880000000, 0.575755400000000, 0.300669790000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.299668550000000, 0.390579820000000, 0.134003120000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.090911260000000, 0.700331450000000, 0.134003120000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.609420180000000, 0.909088740000000, 0.134003120000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.000000000000000, 0.000000000000000, 0.090047780000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.333333330000000, 0.666666670000000, 0.256714440000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.333333330000000, 0.666666670000000, 0.069368610000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.666666670000000, 0.333333330000000, 0.236035270000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.745521850000000, 0.998269790000000, 0.248800820000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.001730210000000, 0.747252040000000, 0.248800820000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.252747960000000, 0.254478150000000, 0.248800820000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.919414620000000, 0.331603130000000, 0.082134150000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.412188520000000, 0.080585380000000, 0.082134150000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.668396870000000, 0.587811480000000, 0.082134150000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.052546330000000, 0.407756850000000, 0.195047620000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.592243150000000, 0.644789490000000, 0.195047620000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.355210510000000, 0.947453670000000, 0.195047620000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.021877180000000, 0.741090190000000, 0.028380950000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.719213000000000, 0.978122820000000, 0.028380950000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.258909810000000, 0.280787000000000, 0.028380950000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.090911260000000, 0.390579820000000, 0.634003120000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 60 coordinates: [ 0.609420180000000, 0.700331450000000, 0.634003120000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 61 coordinates: [ 0.299668550000000, 0.909088740000000, 0.634003120000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 62 coordinates: [ 0.966335210000000, 0.723913150000000, 0.467336460000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 63 coordinates: [ 0.757577930000000, 0.033664790000000, 0.467336460000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 64 coordinates: [ 0.276086850000000, 0.242422070000000, 0.467336460000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 65 coordinates: [ 0.666666670000000, 0.333333330000000, 0.423381110000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 66 coordinates: [ 0.000000000000000, 0.000000000000000, 0.590047780000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 67 coordinates: [ 0.000000000000000, 0.000000000000000, 0.402701940000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 68 coordinates: [ 0.333333330000000, 0.666666670000000, 0.569368610000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 69 coordinates: [ 0.412188520000000, 0.331603130000000, 0.582134150000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 70 coordinates: [ 0.668396870000000, 0.080585380000000, 0.582134150000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 71 coordinates: [ 0.919414620000000, 0.587811480000000, 0.582134150000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 72 coordinates: [ 0.586081290000000, 0.664936460000000, 0.415467480000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 73 coordinates: [ 0.078855180000000, 0.413918710000000, 0.415467480000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 74 coordinates: [ 0.335063540000000, 0.921144820000000, 0.415467480000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 75 coordinates: [ 0.719213000000000, 0.741090190000000, 0.528380950000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 76 coordinates: [ 0.258909810000000, 0.978122820000000, 0.528380950000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 77 coordinates: [ 0.021877180000000, 0.280787000000000, 0.528380950000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 78 coordinates: [ 0.688543840000000, 0.074423520000000, 0.361714280000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 79 coordinates: [ 0.385879670000000, 0.311456160000000, 0.361714280000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 80 coordinates: [ 0.925576480000000, 0.614120330000000, 0.361714280000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 81 coordinates: [ 0.757577930000000, 0.723913150000000, 0.967336460000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 82 coordinates: [ 0.276086850000000, 0.033664790000000, 0.967336460000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 83 coordinates: [ 0.966335210000000, 0.242422070000000, 0.967336460000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 84 coordinates: [ 0.633001880000000, 0.057246490000000, 0.800669790000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 85 coordinates: [ 0.424244600000000, 0.366998120000000, 0.800669790000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 86 coordinates: [ 0.942753510000000, 0.575755400000000, 0.800669790000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 87 coordinates: [ 0.333333330000000, 0.666666670000000, 0.756714440000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 88 coordinates: [ 0.666666670000000, 0.333333330000000, 0.923381110000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 89 coordinates: [ 0.666666670000000, 0.333333330000000, 0.736035270000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 90 coordinates: [ 0.000000000000000, 0.000000000000000, 0.902701940000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 91 coordinates: [ 0.078855180000000, 0.664936460000000, 0.915467480000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 92 coordinates: [ 0.335063540000000, 0.413918710000000, 0.915467480000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 93 coordinates: [ 0.586081290000000, 0.921144820000000, 0.915467480000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 94 coordinates: [ 0.252747960000000, 0.998269790000000, 0.748800820000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 95 coordinates: [ 0.745521850000000, 0.747252040000000, 0.748800820000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 96 coordinates: [ 0.001730210000000, 0.254478150000000, 0.748800820000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 97 coordinates: [ 0.385879670000000, 0.074423520000000, 0.861714280000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 98 coordinates: [ 0.925576480000000, 0.311456160000000, 0.861714280000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 99 coordinates: [ 0.688543840000000, 0.614120330000000, 0.861714280000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 100 coordinates: [ 0.355210510000000, 0.407756850000000, 0.695047620000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 101 coordinates: [ 0.052546330000000, 0.644789490000000, 0.695047620000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 102 coordinates: [ 0.592243150000000, 0.947453670000000, 0.695047620000000 ] mass: 15.999400 reduced_to: 58displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.2279059900000000, 0.0005209100000000, -0.0030052300000000 ] - [ 0.0027634300000000, 0.0041026000000000, -0.0004550200000000 ] - [ 0.0000817400000000, -0.0005801200000000, 0.0003892400000000 ] - [ 0.0004648800000000, 0.0003502900000000, 0.0004658700000000 ] - [ -0.0005418400000000, 0.0002694300000000, 0.0001905200000000 ] - [ -0.0048151900000000, 0.0029762900000000, 0.0273345100000000 ] - [ 0.0058168300000000, -0.0065659900000000, 0.0358399700000000 ] - [ 0.0103136900000000, 0.0081591700000000, -0.0618294000000000 ] - [ -0.0000175000000000, 0.0000130700000000, -0.0004760200000000 ] - [ -0.0000011900000000, 0.0000008800000000, -0.0004749700000000 ] - [ 0.0000626900000000, -0.0005889000000000, 0.0003806700000000 ] - [ 0.0004824100000000, 0.0003490100000000, 0.0003769900000000 ] - [ -0.0005396800000000, 0.0002405300000000, 0.0003795400000000 ] - [ -0.0000579300000000, -0.0005868800000000, 0.0003741100000000 ] - [ -0.0004761100000000, 0.0003420300000000, 0.0003728100000000 ] - [ 0.0005361800000000, 0.0002413300000000, 0.0003693300000000 ] - [ -0.0000158000000000, -0.0000132700000000, -0.0004517600000000 ] - [ 0.0027647200000000, 0.0040988000000000, -0.0004799600000000 ] - [ -0.0013655300000000, 0.0020863300000000, 0.0257102900000000 ] - [ 0.0122639100000000, 0.0014681900000000, -0.0614022700000000 ] - [ 0.0033212000000000, -0.0092814700000000, 0.0366006000000000 ] - [ -0.0000273900000000, -0.0006225000000000, 0.0001366700000000 ] - [ -0.0004578200000000, 0.0003284000000000, 0.0002796300000000 ] - [ 0.0005543200000000, 0.0001974900000000, 0.0006292200000000 ] - [ -0.0000007100000000, -0.0000002400000000, -0.0000999400000000 ] - [ 0.0001943800000000, -0.0002792100000000, -0.0000274200000000 ] - [ -0.0003814700000000, -0.0000550900000000, -0.0004816900000000 ] - [ 0.0197283200000000, -0.0089672800000000, -0.0004214500000000 ] - [ -0.0000007600000000, 0.0000015000000000, -0.0000281700000000 ] - [ 0.0000000100000000, 0.0000002100000000, -0.0000686200000000 ] - [ 0.0000000700000000, 0.0000011900000000, -0.0004643800000000 ] - [ 0.0000015100000000, -0.0000002900000000, -0.0004752500000000 ] - [ 0.0206955800000000, 0.0041402600000000, -0.0000459000000000 ] - [ -0.0004355100000000, -0.0000460900000000, -0.0001006600000000 ] - [ 0.0002659600000000, -0.0004714700000000, -0.0004778100000000 ] - [ 0.0000010100000000, -0.0000028900000000, -0.0004819200000000 ] - [ 0.0002723800000000, 0.0000328500000000, -0.0001708200000000 ] - [ -0.0001878100000000, 0.0001970200000000, -0.0001858200000000 ] - [ -0.0001041600000000, -0.0003026500000000, -0.0001188300000000 ] - [ 0.0015997600000000, -0.0014777900000000, -0.0060799800000000 ] - [ -0.0017321100000000, -0.0001370200000000, -0.0065409600000000 ] - [ -0.0009306300000000, -0.0045214200000000, 0.0121874400000000 ] - [ 0.0071816800000000, 0.0004842600000000, -0.0000439600000000 ] - [ -0.0000289900000000, -0.0000130700000000, -0.0000012600000000 ] - [ -0.0077574400000000, -0.0072307100000000, -0.0004656800000000 ] - [ 0.0000147600000000, -0.0000028300000000, -0.0004497300000000 ] - [ 0.0000486600000000, 0.0003764700000000, 0.0000688700000000 ] - [ -0.0003424300000000, -0.0001641300000000, 0.0000535300000000 ] - [ 0.0002606800000000, -0.0002535800000000, 0.0000484700000000 ] - [ 0.0021144400000000, 0.0113043900000000, 0.0020821600000000 ] - [ -0.0084582100000000, 0.0018792400000000, -0.0003889700000000 ] - [ 0.0040808400000000, -0.0032893300000000, -0.0015615900000000 ] - [ -0.0002719500000000, -0.0005237800000000, 0.0000090300000000 ] - [ -0.0002947400000000, -0.0006382000000000, 0.0005524100000000 ] - [ -0.0001494600000000, -0.0005101000000000, 0.0001310900000000 ] - [ 0.0356553600000000, -0.0393419200000000, 0.0258667800000000 ] - [ 0.0930118000000000, 0.0047024800000000, -0.0425136800000000 ] - [ 0.0276206100000000, 0.0361258500000000, 0.0203526400000000 ] - [ 0.0002815000000000, 0.0000518800000000, -0.0001596900000000 ] - [ -0.0001880000000000, 0.0002186600000000, -0.0001532500000000 ] - [ -0.0000930800000000, -0.0002687200000000, -0.0001577200000000 ] - [ -0.0002799900000000, 0.0000501600000000, -0.0001789200000000 ] - [ 0.0001836300000000, 0.0002168500000000, -0.0001787400000000 ] - [ 0.0000969300000000, -0.0002680600000000, -0.0001779800000000 ] - [ 0.0000009600000000, 0.0000032400000000, 0.0000048000000000 ] - [ -0.0000011100000000, -0.0000015400000000, 0.0000010900000000 ] - [ 0.0000000500000000, -0.0000002800000000, -0.0004589200000000 ] - [ 0.0000000000000000, -0.0000003200000000, -0.0004512000000000 ] - [ 0.0000549700000000, 0.0003683300000000, 0.0000547800000000 ] - [ -0.0003465600000000, -0.0001358500000000, 0.0000547900000000 ] - [ 0.0002877600000000, -0.0002314000000000, 0.0000544800000000 ] - [ -0.0000548300000000, 0.0003696500000000, 0.0000525800000000 ] - [ 0.0003463100000000, -0.0001355900000000, 0.0000524200000000 ] - [ -0.0002926700000000, -0.0002325400000000, 0.0000528100000000 ] - [ -0.0000549600000000, 0.0000648100000000, 0.0002347600000000 ] - [ -0.0000270900000000, -0.0000806900000000, 0.0002351600000000 ] - [ 0.0000840200000000, 0.0000155000000000, 0.0002338800000000 ] - [ 0.0000587800000000, 0.0000630700000000, 0.0002275400000000 ] - [ 0.0000273500000000, -0.0000842900000000, 0.0002314500000000 ] - [ -0.0000834900000000, 0.0000136700000000, 0.0002243300000000 ] - [ 0.0063286000000000, -0.0043280200000000, -0.0107365300000000 ] - [ 0.0010431200000000, 0.0015276300000000, 0.0199490800000000 ] - [ 0.0080201400000000, 0.0031142500000000, -0.0102607700000000 ] - [ -0.0006104100000000, -0.0000892100000000, 0.0000853000000000 ] - [ 0.0001958400000000, -0.0000491600000000, -0.0001148500000000 ] - [ 0.0000460700000000, -0.0001879900000000, -0.0004422700000000 ] - [ 0.0000411600000000, 0.0000394300000000, -0.0000011800000000 ] - [ -0.0075992600000000, -0.0091733800000000, 0.0000113200000000 ] - [ -0.0000139300000000, -0.0000261200000000, -0.0004502100000000 ] - [ 0.0071587900000000, -0.0000692800000000, -0.0004695600000000 ] - [ 0.0016840300000000, 0.0153783100000000, 0.0015596800000000 ] - [ 0.0043434400000000, -0.0032043900000000, -0.0010319900000000 ] - [ -0.0122034800000000, 0.0030908600000000, -0.0003536000000000 ] - [ -0.0000433000000000, 0.0004197500000000, 0.0000595900000000 ] - [ 0.0002715200000000, -0.0001122200000000, 0.0000436200000000 ] - [ -0.0003012500000000, -0.0002712200000000, 0.0000659100000000 ] - [ -0.0024562500000000, -0.0030975500000000, 0.0095201400000000 ] - [ -0.0018610100000000, 0.0003577200000000, -0.0048305000000000 ] - [ 0.0010870200000000, -0.0018411700000000, -0.0040029600000000 ] - [ 0.0000520800000000, 0.0000607900000000, 0.0002204200000000 ] - [ 0.0000212300000000, -0.0000735000000000, 0.0002168100000000 ] - [ -0.0000800800000000, 0.0000156600000000, 0.0002508300000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.2331586300000000, 0.0005224300000000, -0.0030976600000000 ] - [ -0.0027709700000000, -0.0041027400000000, -0.0004535900000000 ] - [ 0.0000459400000000, -0.0005929800000000, 0.0003066100000000 ] - [ 0.0004918700000000, 0.0003482900000000, 0.0002293500000000 ] - [ -0.0005376300000000, 0.0002091300000000, 0.0005080800000000 ] - [ 0.0047048700000000, -0.0041413200000000, -0.0265647500000000 ] - [ -0.0067979500000000, 0.0072106900000000, -0.0350613600000000 ] - [ -0.0093305400000000, -0.0076786400000000, 0.0629700700000000 ] - [ 0.0000142600000000, -0.0000114800000000, -0.0004742400000000 ] - [ -0.0000013500000000, 0.0000003900000000, -0.0004727900000000 ] - [ 0.0000617000000000, -0.0005892100000000, 0.0003779100000000 ] - [ 0.0004812400000000, 0.0003492900000000, 0.0003807400000000 ] - [ -0.0005401100000000, 0.0002412800000000, 0.0003790000000000 ] - [ -0.0000579500000000, -0.0005876200000000, 0.0003691400000000 ] - [ -0.0004771300000000, 0.0003416800000000, 0.0003718300000000 ] - [ 0.0005354500000000, 0.0002415300000000, 0.0003739600000000 ] - [ 0.0000165400000000, 0.0000112900000000, -0.0004502900000000 ] - [ -0.0027710000000000, -0.0041078500000000, -0.0004778800000000 ] - [ 0.0014898200000000, -0.0032352400000000, -0.0248716700000000 ] - [ -0.0112523500000000, -0.0007943400000000, 0.0617045000000000 ] - [ -0.0043593800000000, 0.0097654800000000, -0.0359232500000000 ] - [ -0.0000986000000000, -0.0005545000000000, 0.0005615400000000 ] - [ -0.0004975000000000, 0.0003664200000000, 0.0004171100000000 ] - [ 0.0005251000000000, 0.0002783600000000, 0.0000683100000000 ] - [ 0.0000000100000000, -0.0000001400000000, -0.0000995300000000 ] - [ -0.0001942900000000, 0.0002805400000000, -0.0000266600000000 ] - [ 0.0003839600000000, 0.0000566200000000, -0.0004806900000000 ] - [ -0.0197686800000000, 0.0090861500000000, -0.0004215200000000 ] - [ -0.0000003500000000, -0.0000024800000000, -0.0000284300000000 ] - [ -0.0000002000000000, 0.0000006400000000, -0.0000694300000000 ] - [ 0.0000005500000000, 0.0000008000000000, -0.0004643600000000 ] - [ -0.0000028600000000, -0.0000019400000000, -0.0004747100000000 ] - [ -0.0207250100000000, -0.0042472400000000, -0.0000463800000000 ] - [ 0.0004371000000000, 0.0000464500000000, -0.0000998900000000 ] - [ -0.0002641900000000, 0.0004748200000000, -0.0004767900000000 ] - [ -0.0000018800000000, 0.0000010300000000, -0.0004817200000000 ] - [ 0.0002951300000000, 0.0000712300000000, -0.0001460500000000 ] - [ -0.0001861100000000, 0.0002419500000000, -0.0001306100000000 ] - [ -0.0000880300000000, -0.0002397400000000, -0.0001990700000000 ] - [ -0.0021873000000000, 0.0015824300000000, 0.0057930500000000 ] - [ 0.0021090700000000, 0.0005800100000000, 0.0062662400000000 ] - [ 0.0011273600000000, 0.0039765200000000, -0.0124919000000000 ] - [ -0.0072092900000000, -0.0004787500000000, -0.0000437900000000 ] - [ 0.0000306100000000, 0.0000078600000000, -0.0000011100000000 ] - [ 0.0077364700000000, 0.0072639800000000, -0.0004666300000000 ] - [ -0.0000152300000000, 0.0000023400000000, -0.0004502100000000 ] - [ 0.0000618400000000, 0.0003639200000000, 0.0000451100000000 ] - [ -0.0003542500000000, -0.0001099400000000, 0.0000603300000000 ] - [ 0.0003193900000000, -0.0002109800000000, 0.0000647500000000 ] - [ -0.0022355100000000, -0.0105674800000000, -0.0020005500000000 ] - [ 0.0091875800000000, -0.0021600300000000, 0.0004817400000000 ] - [ -0.0047147300000000, 0.0028035700000000, 0.0016492900000000 ] - [ 0.0001650200000000, 0.0006393500000000, 0.0004543000000000 ] - [ 0.0002480500000000, 0.0004849600000000, -0.0000922000000000 ] - [ 0.0003037400000000, 0.0005460300000000, 0.0003307100000000 ] - [ -0.0351562600000000, 0.0379167900000000, -0.0242118400000000 ] - [ -0.0991946600000000, -0.0054742100000000, 0.0472111400000000 ] - [ -0.0281336300000000, -0.0353758500000000, -0.0192203500000000 ] - [ 0.0002816000000000, 0.0000533300000000, -0.0001557400000000 ] - [ -0.0001850300000000, 0.0002155200000000, -0.0001616100000000 ] - [ -0.0000959200000000, -0.0002702100000000, -0.0001576000000000 ] - [ -0.0002801600000000, 0.0000500500000000, -0.0001785500000000 ] - [ 0.0001832500000000, 0.0002168100000000, -0.0001790500000000 ] - [ 0.0000968900000000, -0.0002669700000000, -0.0001802200000000 ] - [ 0.0000000300000000, 0.0000029200000000, 0.0000044500000000 ] - [ -0.0000015900000000, -0.0000012900000000, 0.0000002000000000 ] - [ 0.0000003800000000, 0.0000004800000000, -0.0004595500000000 ] - [ -0.0000000600000000, -0.0000005500000000, -0.0004513200000000 ] - [ 0.0000544400000000, 0.0003680600000000, 0.0000544300000000 ] - [ -0.0003465400000000, -0.0001356100000000, 0.0000541000000000 ] - [ 0.0002887600000000, -0.0002321400000000, 0.0000541600000000 ] - [ -0.0000557300000000, 0.0003690300000000, 0.0000521700000000 ] - [ 0.0003469400000000, -0.0001359500000000, 0.0000517700000000 ] - [ -0.0002929500000000, -0.0002315700000000, 0.0000519500000000 ] - [ -0.0000554700000000, 0.0000645100000000, 0.0002343800000000 ] - [ -0.0000278400000000, -0.0000809100000000, 0.0002352900000000 ] - [ 0.0000838600000000, 0.0000155100000000, 0.0002344800000000 ] - [ 0.0000584100000000, 0.0000646500000000, 0.0002287000000000 ] - [ 0.0000265400000000, -0.0000796200000000, 0.0002240800000000 ] - [ -0.0000843600000000, 0.0000216300000000, 0.0002319000000000 ] - [ -0.0058915000000000, 0.0044634900000000, 0.0105618600000000 ] - [ 0.0000103900000000, -0.0009577600000000, -0.0214198900000000 ] - [ -0.0083661800000000, -0.0034249200000000, 0.0098312800000000 ] - [ 0.0000435900000000, 0.0001942200000000, -0.0004008600000000 ] - [ 0.0001796000000000, 0.0004876500000000, -0.0001994500000000 ] - [ 0.0001475500000000, -0.0003543000000000, 0.0001247100000000 ] - [ -0.0000355600000000, -0.0000375400000000, -0.0000011700000000 ] - [ 0.0075782700000000, 0.0091369800000000, 0.0000113800000000 ] - [ 0.0000137500000000, 0.0000266100000000, -0.0004497500000000 ] - [ -0.0071412000000000, 0.0000723600000000, -0.0004701800000000 ] - [ -0.0015566300000000, -0.0146073500000000, -0.0014253300000000 ] - [ -0.0050455400000000, 0.0029030800000000, 0.0011318300000000 ] - [ 0.0127397700000000, -0.0035244500000000, 0.0004670700000000 ] - [ -0.0000683200000000, 0.0003208600000000, 0.0000537100000000 ] - [ 0.0004208100000000, -0.0001598200000000, 0.0000692900000000 ] - [ -0.0002841400000000, -0.0001937300000000, 0.0000468900000000 ] - [ 0.0023567900000000, 0.0032368800000000, -0.0090788800000000 ] - [ 0.0018098600000000, -0.0005213300000000, 0.0052958700000000 ] - [ -0.0009214100000000, 0.0018821900000000, 0.0044717300000000 ] - [ 0.0000543100000000, 0.0000593200000000, 0.0002378700000000 ] - [ 0.0000277900000000, -0.0000770400000000, 0.0002421100000000 ] - [ -0.0000738500000000, 0.0000174200000000, 0.0002085600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.2915935600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0149194300000000 ] - [ 0.0007939400000000, 0.0002668500000000, 0.0127308300000000 ] - [ -0.0006280700000000, 0.0005541500000000, 0.0127308300000000 ] - [ -0.0001658800000000, -0.0008210000000000, 0.0127308300000000 ] - [ 0.0032031300000000, 0.0103804300000000, 0.0181446800000000 ] - [ 0.0073881500000000, -0.0079642100000000, 0.0181446800000000 ] - [ -0.0105912900000000, -0.0024162200000000, 0.0181446800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0143700400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0143666500000000 ] - [ 0.0007904600000000, 0.0002730100000000, 0.0127619100000000 ] - [ -0.0006316700000000, 0.0005480500000000, 0.0127619100000000 ] - [ -0.0001587900000000, -0.0008210600000000, 0.0127619100000000 ] - [ -0.0007844600000000, 0.0002760700000000, 0.0127539600000000 ] - [ 0.0006313100000000, 0.0005413300000000, 0.0127539600000000 ] - [ 0.0001531500000000, -0.0008174000000000, 0.0127539600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0143869600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0148805100000000 ] - [ 0.0034703700000000, 0.0060294400000000, 0.0233970900000000 ] - [ -0.0069568300000000, -0.0000092900000000, 0.0233970900000000 ] - [ 0.0034864600000000, -0.0060201500000000, 0.0233970900000000 ] - [ -0.0007951700000000, 0.0002716700000000, 0.0127520900000000 ] - [ 0.0006328500000000, 0.0005528000000000, 0.0127520900000000 ] - [ 0.0001623100000000, -0.0008244700000000, 0.0127520900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026158100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027522100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021059100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0273492300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026865300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026426900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020950700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020860300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0272157500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027309700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022532200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020812300000000 ] - [ -0.0010355900000000, -0.0022820800000000, -0.0085693800000000 ] - [ 0.0024941400000000, 0.0002441900000000, -0.0085693800000000 ] - [ -0.0014585500000000, 0.0020378900000000, -0.0085693800000000 ] - [ 0.0008178700000000, -0.0028525300000000, -0.0092927000000000 ] - [ -0.0028793000000000, 0.0007179700000000, -0.0092927000000000 ] - [ 0.0020614300000000, 0.0021345600000000, -0.0092927000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037735600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020937800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008804400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029317800000000 ] - [ 0.0000830300000000, 0.0000068900000000, -0.0019003600000000 ] - [ -0.0000474800000000, 0.0000684600000000, -0.0019003600000000 ] - [ -0.0000355500000000, -0.0000753500000000, -0.0019003600000000 ] - [ 0.0006490800000000, 0.0001202400000000, -0.0010677700000000 ] - [ -0.0002204100000000, -0.0006222400000000, -0.0010677700000000 ] - [ -0.0004286700000000, 0.0005020000000000, -0.0010677700000000 ] - [ 0.0016353400000000, 0.0021257500000000, -0.0070064400000000 ] - [ -0.0026586200000000, 0.0003533700000000, -0.0070064400000000 ] - [ 0.0010232800000000, -0.0024791200000000, -0.0070064400000000 ] - [ 0.0374969800000000, -0.0531153200000000, 0.0554369600000000 ] - [ -0.0647477100000000, -0.0059156700000000, 0.0554369600000000 ] - [ 0.0272507300000000, 0.0590310000000000, 0.0554369600000000 ] - [ -0.0010374400000000, -0.0022812700000000, -0.0085675400000000 ] - [ 0.0024943600000000, 0.0002421900000000, -0.0085675400000000 ] - [ -0.0014569200000000, 0.0020390800000000, -0.0085675400000000 ] - [ 0.0010381700000000, -0.0022820700000000, -0.0085886500000000 ] - [ -0.0024954100000000, 0.0002419500000000, -0.0085886500000000 ] - [ 0.0014572500000000, 0.0020401100000000, -0.0085886500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020940100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020986400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029372600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029269400000000 ] - [ 0.0000794400000000, 0.0000088800000000, -0.0019020000000000 ] - [ -0.0000474100000000, 0.0000643600000000, -0.0019020000000000 ] - [ -0.0000320300000000, -0.0000732400000000, -0.0019020000000000 ] - [ -0.0000788800000000, 0.0000103700000000, -0.0019046500000000 ] - [ 0.0000484200000000, 0.0000631300000000, -0.0019046500000000 ] - [ 0.0000304600000000, -0.0000735000000000, -0.0019046500000000 ] - [ 0.0016297100000000, 0.0021541500000000, -0.0069722000000000 ] - [ -0.0026804000000000, 0.0003342900000000, -0.0069722000000000 ] - [ 0.0010507000000000, -0.0024884500000000, -0.0069722000000000 ] - [ -0.0016273300000000, 0.0021529700000000, -0.0069806100000000 ] - [ 0.0026782000000000, 0.0003328200000000, -0.0069806100000000 ] - [ -0.0010508600000000, -0.0024858000000000, -0.0069806100000000 ] - [ 0.0067278300000000, 0.0202934100000000, 0.0355872200000000 ] - [ -0.0209385300000000, -0.0043202300000000, 0.0355872200000000 ] - [ 0.0142107000000000, -0.0159731800000000, 0.0355872200000000 ] - [ 0.0010143700000000, -0.0022589100000000, -0.0086117800000000 ] - [ -0.0024634600000000, 0.0002509800000000, -0.0086117800000000 ] - [ 0.0014490800000000, 0.0020079200000000, -0.0086117800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021049900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033934800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029212500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016571700000000 ] - [ 0.0003898800000000, -0.0003833800000000, -0.0030801900000000 ] - [ 0.0001370700000000, 0.0005293400000000, -0.0030801900000000 ] - [ -0.0005269600000000, -0.0001459600000000, -0.0030801900000000 ] - [ -0.0000781300000000, 0.0000108900000000, -0.0019002500000000 ] - [ 0.0000485000000000, 0.0000622200000000, -0.0019002500000000 ] - [ 0.0000296400000000, -0.0000731100000000, -0.0019002500000000 ] - [ 0.0017398000000000, 0.0020266100000000, -0.0072426100000000 ] - [ -0.0026250000000000, 0.0004934000000000, -0.0072426100000000 ] - [ 0.0008852000000000, -0.0025200200000000, -0.0072426100000000 ] - [ -0.0016302500000000, 0.0021457100000000, -0.0069780700000000 ] - [ 0.0026733700000000, 0.0003389800000000, -0.0069780700000000 ] - [ -0.0010431200000000, -0.0024846900000000, -0.0069780700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.2907384100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0158065800000000 ] - [ -0.0006705000000000, -0.0014559500000000, -0.0120378300000000 ] - [ 0.0015961400000000, 0.0001473000000000, -0.0120378300000000 ] - [ -0.0009256300000000, 0.0013086500000000, -0.0120378300000000 ] - [ -0.0031940600000000, -0.0113692500000000, -0.0174958200000000 ] - [ -0.0082490300000000, 0.0084507700000000, -0.0174958200000000 ] - [ 0.0114430900000000, 0.0029184800000000, -0.0174958200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0153074700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0153018800000000 ] - [ -0.0006642900000000, -0.0014644900000000, -0.0120078500000000 ] - [ 0.0016004300000000, 0.0001569600000000, -0.0120078500000000 ] - [ -0.0009361400000000, 0.0013075400000000, -0.0120078500000000 ] - [ 0.0006691000000000, -0.0014604100000000, -0.0120165400000000 ] - [ -0.0015993000000000, 0.0001507500000000, -0.0120165400000000 ] - [ 0.0009302000000000, 0.0013096600000000, -0.0120165400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0152820200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0158374300000000 ] - [ -0.0033803800000000, -0.0073046600000000, -0.0229076100000000 ] - [ 0.0080162100000000, 0.0007248300000000, -0.0229076100000000 ] - [ -0.0046358300000000, 0.0065798300000000, -0.0229076100000000 ] - [ 0.0006687000000000, -0.0014584800000000, -0.0120582100000000 ] - [ -0.0015974300000000, 0.0001501300000000, -0.0120582100000000 ] - [ 0.0009287300000000, 0.0013083500000000, -0.0120582100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028356900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028213900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030808200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0264733300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027648100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028056400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030451100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030558000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0271857600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029407200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032212100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030628100000000 ] - [ 0.0015979800000000, 0.0023775700000000, 0.0082621800000000 ] - [ -0.0028580300000000, 0.0001951100000000, 0.0082621800000000 ] - [ 0.0012600400000000, -0.0025726800000000, 0.0082621800000000 ] - [ -0.0013925700000000, 0.0029397900000000, 0.0090256200000000 ] - [ 0.0032422200000000, -0.0002639000000000, 0.0090256200000000 ] - [ -0.0018496500000000, -0.0026758900000000, 0.0090256200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035390300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020998900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000171200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020242100000000 ] - [ 0.0000326000000000, 0.0007297400000000, 0.0020215800000000 ] - [ -0.0006482800000000, -0.0003366400000000, 0.0020215800000000 ] - [ 0.0006156800000000, -0.0003931000000000, 0.0020215800000000 ] - [ -0.0007583600000000, 0.0006170700000000, 0.0012308300000000 ] - [ 0.0009135800000000, 0.0003482200000000, 0.0012308300000000 ] - [ -0.0001552200000000, -0.0009652900000000, 0.0012308300000000 ] - [ -0.0017421400000000, -0.0020129800000000, 0.0074610800000000 ] - [ 0.0026143600000000, -0.0005022500000000, 0.0074610800000000 ] - [ -0.0008722200000000, 0.0025152300000000, 0.0074610800000000 ] - [ -0.0361004900000000, 0.0513558900000000, -0.0543563000000000 ] - [ 0.0625257500000000, 0.0055859900000000, -0.0543563000000000 ] - [ -0.0264252600000000, -0.0569418800000000, -0.0543563000000000 ] - [ 0.0015951400000000, 0.0023776100000000, 0.0082572700000000 ] - [ -0.0028566400000000, 0.0001926200000000, 0.0082572700000000 ] - [ 0.0012615100000000, -0.0025702400000000, 0.0082572700000000 ] - [ -0.0015944300000000, 0.0023756100000000, 0.0082386900000000 ] - [ 0.0028545500000000, 0.0001930100000000, 0.0082386900000000 ] - [ -0.0012601300000000, -0.0025686200000000, 0.0082386900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021091500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021040400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020109700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020195100000000 ] - [ 0.0000370300000000, 0.0007239900000000, 0.0020170100000000 ] - [ -0.0006455100000000, -0.0003299200000000, 0.0020170100000000 ] - [ 0.0006084700000000, -0.0003940600000000, 0.0020170100000000 ] - [ -0.0000363900000000, 0.0007259300000000, 0.0020151100000000 ] - [ 0.0006468700000000, -0.0003314500000000, 0.0020151100000000 ] - [ -0.0006104800000000, -0.0003944800000000, 0.0020151100000000 ] - [ -0.0017375500000000, -0.0020222400000000, 0.0074339300000000 ] - [ 0.0026200900000000, -0.0004936400000000, 0.0074339300000000 ] - [ -0.0008825400000000, 0.0025158900000000, 0.0074339300000000 ] - [ 0.0017411600000000, -0.0020245300000000, 0.0074286300000000 ] - [ -0.0026238800000000, -0.0004956200000000, 0.0074286300000000 ] - [ 0.0008827200000000, 0.0025201500000000, 0.0074286300000000 ] - [ -0.0066994900000000, -0.0214090600000000, -0.0363023300000000 ] - [ 0.0218905400000000, 0.0049026000000000, -0.0363023300000000 ] - [ -0.0151910500000000, 0.0165064600000000, -0.0363023300000000 ] - [ -0.0015757200000000, 0.0023548000000000, 0.0083064100000000 ] - [ 0.0028271800000000, 0.0001872100000000, 0.0083064100000000 ] - [ -0.0012514600000000, -0.0025420100000000, 0.0083064100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021104300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034018800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020154700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006529500000000 ] - [ -0.0002746100000000, 0.0011286600000000, 0.0031944200000000 ] - [ -0.0008401500000000, -0.0008021500000000, 0.0031944200000000 ] - [ 0.0011147600000000, -0.0003265100000000, 0.0031944200000000 ] - [ -0.0000366100000000, 0.0007263300000000, 0.0020208900000000 ] - [ 0.0006473200000000, -0.0003314600000000, 0.0020208900000000 ] - [ -0.0006107100000000, -0.0003948700000000, 0.0020208900000000 ] - [ -0.0018590700000000, -0.0019121600000000, 0.0077271500000000 ] - [ 0.0025855100000000, -0.0006539300000000, 0.0077271500000000 ] - [ -0.0007264400000000, 0.0025660800000000, 0.0077271500000000 ] - [ 0.0017356000000000, -0.0020290600000000, 0.0074307600000000 ] - [ -0.0026250200000000, -0.0004885400000000, 0.0074307600000000 ] - [ 0.0008894200000000, 0.0025176100000000, 0.0074307600000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000181500000000, -0.0000198900000000, 0.0002787800000000 ] - [ -0.0048120900000000, -0.0004948900000000, -0.0036194400000000 ] - [ -0.1840145600000000, -0.0008953900000000, -0.0065451100000000 ] - [ 0.0548478100000000, 0.0245018500000000, -0.0019733600000000 ] - [ 0.0509444400000000, -0.0222714100000000, 0.0000910500000000 ] - [ -0.0001238300000000, -0.0006307000000000, 0.0007315100000000 ] - [ -0.0003982000000000, 0.0004438300000000, 0.0013045300000000 ] - [ 0.0006461300000000, 0.0001259600000000, 0.0010366500000000 ] - [ -0.0015164500000000, 0.0063804400000000, 0.0029457200000000 ] - [ 0.0000342200000000, -0.0000255600000000, 0.0002773400000000 ] - [ 0.0000994200000000, -0.0005453700000000, 0.0010067800000000 ] - [ 0.0004265000000000, 0.0003598400000000, 0.0010004200000000 ] - [ -0.0005220000000000, 0.0001875000000000, 0.0010004200000000 ] - [ -0.0001208000000000, -0.0004485800000000, 0.0009824100000000 ] - [ -0.0003492300000000, 0.0004070500000000, 0.0011422800000000 ] - [ 0.0004935000000000, 0.0000431500000000, 0.0009244600000000 ] - [ 0.0000003600000000, -0.0000005600000000, 0.0002950100000000 ] - [ -0.0000016400000000, 0.0000003700000000, 0.0002724100000000 ] - [ 0.0000967200000000, -0.0005433600000000, 0.0009952900000000 ] - [ 0.0004235400000000, 0.0003554100000000, 0.0009977700000000 ] - [ -0.0005169700000000, 0.0001888600000000, 0.0009948600000000 ] - [ -0.0001003100000000, -0.0005449500000000, 0.0009724200000000 ] - [ -0.0004210900000000, 0.0003579400000000, 0.0009724600000000 ] - [ 0.0005208300000000, 0.0001840200000000, 0.0009717200000000 ] - [ 0.0008489300000000, -0.0001985000000000, -0.0020465600000000 ] - [ -0.0001831100000000, 0.0009159200000000, -0.0029968500000000 ] - [ 0.0022633000000000, 0.0003584500000000, 0.0023771000000000 ] - [ 0.0000014600000000, 0.0000016600000000, -0.0003360000000000 ] - [ -0.0000010500000000, -0.0000003200000000, 0.0001103400000000 ] - [ -0.0000028700000000, 0.0000009800000000, 0.0000689400000000 ] - [ 0.0000018800000000, 0.0000032700000000, -0.0003343900000000 ] - [ 0.0000561400000000, -0.0010941600000000, 0.0012533500000000 ] - [ -0.0000011900000000, 0.0000008800000000, 0.0000674100000000 ] - [ 0.0000001900000000, -0.0000002700000000, 0.0000370000000000 ] - [ -0.0000000100000000, 0.0000008500000000, -0.0003455300000000 ] - [ -0.0000006500000000, -0.0000006700000000, -0.0003510100000000 ] - [ 0.0119790600000000, 0.0036019600000000, 0.0156329500000000 ] - [ -0.0014406200000000, -0.0025194800000000, 0.0013555300000000 ] - [ -0.0038891900000000, -0.0004653800000000, 0.0026489300000000 ] - [ 0.0001973300000000, 0.0001619700000000, -0.0002448700000000 ] - [ -0.0000866100000000, -0.0000519800000000, -0.0008472400000000 ] - [ 0.0001881000000000, -0.0000896300000000, -0.0006155500000000 ] - [ -0.0000131800000000, 0.0000334300000000, -0.0001582300000000 ] - [ 0.0140085900000000, -0.0028782700000000, 0.0044280300000000 ] - [ 0.0000219700000000, -0.0000380900000000, -0.0005891200000000 ] - [ 0.0171347200000000, -0.0001793100000000, -0.0109399700000000 ] - [ -0.0331198500000000, 0.0007543100000000, -0.0014732500000000 ] - [ 0.0325419300000000, 0.0064757600000000, 0.0022807500000000 ] - [ 0.0384798600000000, -0.0075728100000000, 0.0022919200000000 ] - [ -0.0000208600000000, 0.0003103200000000, -0.0000118800000000 ] - [ 0.0002817800000000, -0.0000072800000000, -0.0000431300000000 ] - [ -0.0002937600000000, -0.0002830800000000, -0.0000362400000000 ] - [ -0.0028131700000000, 0.0001622600000000, 0.0005828300000000 ] - [ 0.0006899500000000, 0.0004766500000000, 0.0033091100000000 ] - [ 0.0074989600000000, -0.0032983200000000, -0.0096753700000000 ] - [ -0.0000326400000000, 0.0001756700000000, -0.0001663100000000 ] - [ 0.0001332700000000, -0.0000555400000000, -0.0001000400000000 ] - [ -0.0001226300000000, -0.0000949100000000, -0.0001243200000000 ] - [ 0.0002151400000000, -0.0000646600000000, -0.0005826300000000 ] - [ -0.0000525700000000, 0.0002184400000000, -0.0005810200000000 ] - [ -0.0001628300000000, -0.0001538500000000, -0.0005812400000000 ] - [ -0.0002146500000000, -0.0000657500000000, -0.0005473000000000 ] - [ 0.0000053000000000, 0.0001957800000000, -0.0006644200000000 ] - [ 0.0001632000000000, -0.0001637900000000, -0.0006043900000000 ] - [ 0.0000300500000000, 0.0000265800000000, -0.0000868400000000 ] - [ -0.0000019200000000, -0.0000009200000000, -0.0001054200000000 ] - [ -0.0000158700000000, -0.0000085800000000, -0.0004947900000000 ] - [ -0.0000001400000000, -0.0000008400000000, -0.0005755600000000 ] - [ 0.0000548600000000, 0.0003506800000000, -0.0000440100000000 ] - [ -0.0003309200000000, -0.0001255800000000, -0.0000445800000000 ] - [ 0.0002725400000000, -0.0002241300000000, -0.0000444800000000 ] - [ -0.0000636300000000, 0.0003205700000000, -0.0001227300000000 ] - [ 0.0003366300000000, -0.0001536700000000, -0.0000700200000000 ] - [ -0.0002725800000000, -0.0003044700000000, 0.0000034700000000 ] - [ 0.0000259900000000, 0.0001702700000000, -0.0001255200000000 ] - [ -0.0001669800000000, -0.0000581300000000, -0.0001240500000000 ] - [ 0.0001306300000000, -0.0001115200000000, -0.0001352900000000 ] - [ -0.0004938500000000, -0.0003976100000000, -0.0003888800000000 ] - [ 0.0003684000000000, -0.0002454900000000, -0.0001023000000000 ] - [ 0.0002142700000000, -0.0009292100000000, -0.0000516200000000 ] - [ 0.0002139400000000, -0.0000638400000000, -0.0006023600000000 ] - [ -0.0000505400000000, 0.0002194000000000, -0.0006047800000000 ] - [ -0.0001640300000000, -0.0001544100000000, -0.0006011400000000 ] - [ -0.0002178600000000, -0.0000643500000000, -0.0005818300000000 ] - [ 0.0000531700000000, 0.0002206000000000, -0.0005823900000000 ] - [ 0.0001648000000000, -0.0001563000000000, -0.0005814600000000 ] - [ 0.0000026800000000, 0.0000009700000000, -0.0001068800000000 ] - [ -0.0000012900000000, -0.0000004400000000, -0.0001027900000000 ] - [ -0.0000000800000000, 0.0000002400000000, -0.0005742600000000 ] - [ -0.0000005700000000, -0.0000006900000000, -0.0005837000000000 ] - [ 0.0000549500000000, 0.0003505700000000, -0.0000468500000000 ] - [ -0.0003313800000000, -0.0001265300000000, -0.0000466100000000 ] - [ 0.0002748400000000, -0.0002237000000000, -0.0000470200000000 ] - [ -0.0000567300000000, 0.0003524200000000, -0.0000420800000000 ] - [ 0.0003313900000000, -0.0001263900000000, -0.0000422100000000 ] - [ -0.0002770400000000, -0.0002243600000000, -0.0000422500000000 ] - [ 0.0000283900000000, 0.0001704200000000, -0.0001348900000000 ] - [ -0.0001607100000000, -0.0000615300000000, -0.0001342200000000 ] - [ 0.0001337400000000, -0.0001090800000000, -0.0001351600000000 ] - [ -0.0000316200000000, 0.0001650800000000, -0.0001330800000000 ] - [ 0.0001581700000000, -0.0000545000000000, -0.0001326300000000 ] - [ -0.0001257800000000, -0.0001095500000000, -0.0001324500000000 ]- atom: 3 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000168800000000, 0.0000179500000000, -0.0011887600000000 ] - [ 0.0047064300000000, 0.0005041300000000, 0.0027725300000000 ] - [ 0.1845582900000000, -0.0002325900000000, 0.0082256900000000 ] - [ -0.0538771100000000, -0.0230066600000000, 0.0027341800000000 ] - [ -0.0521544000000000, 0.0219858600000000, 0.0007341900000000 ] - [ -0.0000058200000000, -0.0005490900000000, 0.0000559000000000 ] - [ -0.0005498600000000, 0.0002526000000000, -0.0004948900000000 ] - [ 0.0004381700000000, 0.0003549400000000, -0.0002684600000000 ] - [ 0.0013391500000000, -0.0065823900000000, -0.0039072800000000 ] - [ -0.0000371700000000, 0.0000311800000000, -0.0011875300000000 ] - [ 0.0000276000000000, -0.0006315600000000, -0.0002163500000000 ] - [ 0.0005346400000000, 0.0003402500000000, -0.0002107500000000 ] - [ -0.0005584400000000, 0.0002916200000000, -0.0002098100000000 ] - [ -0.0000027100000000, -0.0007225900000000, -0.0001860700000000 ] - [ -0.0006004000000000, 0.0002730700000000, -0.0003587600000000 ] - [ 0.0005840500000000, 0.0004442700000000, -0.0001768600000000 ] - [ 0.0000000300000000, -0.0000014900000000, -0.0011599700000000 ] - [ -0.0000018800000000, 0.0000003900000000, -0.0011833300000000 ] - [ 0.0000248900000000, -0.0006262300000000, -0.0002218900000000 ] - [ 0.0005321000000000, 0.0003350500000000, -0.0002230200000000 ] - [ -0.0005534400000000, 0.0002917400000000, -0.0002191600000000 ] - [ -0.0000287500000000, -0.0006304400000000, -0.0002424100000000 ] - [ -0.0005313800000000, 0.0003386300000000, -0.0002426800000000 ] - [ 0.0005591500000000, 0.0002889400000000, -0.0002428500000000 ] - [ -0.0007996300000000, 0.0001994000000000, 0.0018506300000000 ] - [ 0.0001769300000000, -0.0009194200000000, 0.0029825000000000 ] - [ -0.0022383800000000, -0.0003630300000000, -0.0033442400000000 ] - [ -0.0000022900000000, -0.0000028000000000, -0.0005852200000000 ] - [ -0.0000005600000000, -0.0000007800000000, -0.0001583100000000 ] - [ 0.0000030000000000, 0.0000003600000000, -0.0001991700000000 ] - [ -0.0000021000000000, -0.0000015600000000, -0.0005868000000000 ] - [ -0.0000662200000000, 0.0011146500000000, -0.0022105900000000 ] - [ 0.0000009600000000, 0.0000001800000000, -0.0001981900000000 ] - [ 0.0000000300000000, -0.0000002100000000, -0.0002297200000000 ] - [ 0.0000003500000000, 0.0000012500000000, -0.0005979100000000 ] - [ -0.0000008100000000, -0.0000012000000000, -0.0006037300000000 ] - [ -0.0119452100000000, -0.0037128400000000, -0.0167729400000000 ] - [ 0.0011597900000000, 0.0029486500000000, -0.0018402800000000 ] - [ 0.0037206100000000, 0.0000079900000000, -0.0031354500000000 ] - [ -0.0007561200000000, -0.0000636700000000, -0.0000872900000000 ] - [ 0.0004498700000000, 0.0004779500000000, 0.0004652300000000 ] - [ -0.0000015100000000, -0.0004532100000000, 0.0003021100000000 ] - [ 0.0000110000000000, -0.0000268300000000, 0.0001510500000000 ] - [ -0.0127574000000000, 0.0016186700000000, -0.0044743700000000 ] - [ -0.0000191100000000, 0.0000383400000000, -0.0003181900000000 ] - [ -0.0159946600000000, 0.0013075100000000, 0.0097770800000000 ] - [ 0.0348559600000000, -0.0000099000000000, 0.0015501800000000 ] - [ -0.0348102000000000, -0.0082029600000000, -0.0021844300000000 ] - [ -0.0397664500000000, 0.0087886200000000, -0.0023544900000000 ] - [ -0.0000896500000000, 0.0004190100000000, 0.0001131600000000 ] - [ 0.0004098300000000, -0.0002634700000000, 0.0001445900000000 ] - [ -0.0002947300000000, -0.0001790700000000, 0.0001397500000000 ] - [ 0.0027874900000000, -0.0000575000000000, -0.0001987100000000 ] - [ -0.0006938200000000, -0.0006239700000000, -0.0028559600000000 ] - [ -0.0077128400000000, 0.0034281700000000, 0.0107190800000000 ] - [ 0.0001367000000000, -0.0000348300000000, 0.0006145600000000 ] - [ -0.0000673100000000, -0.0001043600000000, 0.0005550800000000 ] - [ -0.0000495300000000, 0.0001148100000000, 0.0005798700000000 ] - [ 0.0003456400000000, 0.0001663900000000, 0.0002425600000000 ] - [ -0.0003165700000000, 0.0002154600000000, 0.0002415400000000 ] - [ -0.0000281500000000, -0.0003815400000000, 0.0002413800000000 ] - [ -0.0003412300000000, 0.0001605600000000, 0.0001580100000000 ] - [ 0.0003585100000000, 0.0002384000000000, 0.0002812400000000 ] - [ 0.0000319500000000, -0.0003692200000000, 0.0002279400000000 ] - [ -0.0000267000000000, -0.0000199700000000, 0.0000883600000000 ] - [ -0.0000013000000000, -0.0000019700000000, 0.0000991000000000 ] - [ 0.0000158700000000, 0.0000039200000000, -0.0004306900000000 ] - [ 0.0000001300000000, -0.0000001700000000, -0.0003311700000000 ] - [ 0.0000531300000000, 0.0003863900000000, 0.0001482600000000 ] - [ -0.0003626900000000, -0.0001468700000000, 0.0001489000000000 ] - [ 0.0003047900000000, -0.0002386600000000, 0.0001480100000000 ] - [ -0.0000438200000000, 0.0004266300000000, 0.0002258500000000 ] - [ 0.0003515900000000, -0.0001172900000000, 0.0001676900000000 ] - [ -0.0003147600000000, -0.0001597100000000, 0.0000938200000000 ] - [ -0.0001311500000000, -0.0000335100000000, 0.0005787100000000 ] - [ 0.0001027600000000, -0.0001030800000000, 0.0005787700000000 ] - [ 0.0000414800000000, 0.0001331100000000, 0.0005879400000000 ] - [ 0.0006229400000000, 0.0005463600000000, 0.0008169100000000 ] - [ -0.0002954400000000, 0.0001279100000000, 0.0005955000000000 ] - [ -0.0003938200000000, 0.0009532100000000, 0.0004510100000000 ] - [ 0.0003441900000000, 0.0001606000000000, 0.0002212600000000 ] - [ -0.0003142100000000, 0.0002154100000000, 0.0002219600000000 ] - [ -0.0000301500000000, -0.0003776600000000, 0.0002189000000000 ] - [ -0.0003477500000000, 0.0001656000000000, 0.0002419600000000 ] - [ 0.0003169100000000, 0.0002180600000000, 0.0002418100000000 ] - [ 0.0000306800000000, -0.0003834700000000, 0.0002422200000000 ] - [ 0.0000024200000000, 0.0000010100000000, 0.0000980600000000 ] - [ -0.0000018600000000, -0.0000009200000000, 0.0001028900000000 ] - [ -0.0000000900000000, 0.0000002700000000, -0.0003303500000000 ] - [ -0.0000003800000000, -0.0000009500000000, -0.0003406600000000 ] - [ 0.0000519300000000, 0.0003885000000000, 0.0001455100000000 ] - [ -0.0003614300000000, -0.0001472900000000, 0.0001453300000000 ] - [ 0.0003072900000000, -0.0002400900000000, 0.0001446900000000 ] - [ -0.0000540000000000, 0.0003882300000000, 0.0001503900000000 ] - [ 0.0003611200000000, -0.0001470400000000, 0.0001501600000000 ] - [ -0.0003098500000000, -0.0002396500000000, 0.0001500700000000 ] - [ -0.0001367200000000, -0.0000334600000000, 0.0005727300000000 ] - [ 0.0000984300000000, -0.0001025300000000, 0.0005733400000000 ] - [ 0.0000396900000000, 0.0001355600000000, 0.0005728900000000 ] - [ 0.0001330500000000, -0.0000381100000000, 0.0005751100000000 ] - [ -0.0001008800000000, -0.0000952400000000, 0.0005758500000000 ] - [ -0.0000317500000000, 0.0001353100000000, 0.0005756800000000 ]- atom: 3 displacement: [ -0.0050000000082145, 0.0086602540331018, 0.0000000000000000 ] forces: - [ -0.0000028200000000, -0.0000049500000000, -0.0000616800000000 ] - [ -0.0007335500000000, 0.0109741100000000, 0.0105385800000000 ] - [ 0.0914573000000000, -0.2696229500000000, 0.0090971400000000 ] - [ -0.0164366100000000, 0.0502442300000000, 0.0055565900000000 ] - [ -0.0349129700000000, 0.0759503100000000, 0.0004509200000000 ] - [ -0.0001499200000000, -0.0004618600000000, 0.0009448500000000 ] - [ -0.0004623800000000, 0.0003426900000000, 0.0005702700000000 ] - [ 0.0005558500000000, 0.0001983800000000, 0.0007216800000000 ] - [ 0.0029401300000000, 0.0060288300000000, 0.0035826900000000 ] - [ 0.0000094300000000, 0.0000262700000000, -0.0000646900000000 ] - [ 0.0000815200000000, -0.0005654300000000, 0.0007260200000000 ] - [ 0.0004526200000000, 0.0003547800000000, 0.0007232600000000 ] - [ -0.0005296300000000, 0.0002125500000000, 0.0007240900000000 ] - [ 0.0000047300000000, -0.0005445800000000, 0.0010851700000000 ] - [ -0.0005106100000000, 0.0003078400000000, 0.0006579900000000 ] - [ 0.0005504800000000, 0.0003706900000000, 0.0006011000000000 ] - [ -0.0000003400000000, -0.0000005800000000, -0.0000344900000000 ] - [ -0.0000020200000000, 0.0000016900000000, -0.0000542000000000 ] - [ 0.0000786300000000, -0.0005606000000000, 0.0007211400000000 ] - [ 0.0004498900000000, 0.0003482800000000, 0.0007181100000000 ] - [ -0.0005236900000000, 0.0002140100000000, 0.0007179500000000 ] - [ -0.0000829000000000, -0.0005649400000000, 0.0006953000000000 ] - [ -0.0004472500000000, 0.0003525700000000, 0.0006965300000000 ] - [ 0.0005291200000000, 0.0002091900000000, 0.0006963200000000 ] - [ -0.0012722500000000, -0.0008547800000000, 0.0012619300000000 ] - [ 0.0003584400000000, 0.0002059300000000, -0.0038617400000000 ] - [ -0.0003373100000000, -0.0018304400000000, -0.0019817000000000 ] - [ -0.0000012300000000, -0.0000010400000000, -0.0003992900000000 ] - [ -0.0000005800000000, 0.0000003900000000, 0.0000341600000000 ] - [ 0.0000013700000000, -0.0000007000000000, -0.0000051400000000 ] - [ -0.0000023300000000, 0.0000008600000000, -0.0003967900000000 ] - [ -0.0000027300000000, 0.0004967300000000, -0.0037610600000000 ] - [ -0.0000009600000000, -0.0000020800000000, -0.0000042600000000 ] - [ 0.0000002100000000, -0.0000000800000000, -0.0000380300000000 ] - [ 0.0000011200000000, 0.0000017700000000, -0.0004099700000000 ] - [ -0.0000001400000000, -0.0000001900000000, -0.0004165800000000 ] - [ -0.0039723700000000, 0.0052754700000000, 0.0099587800000000 ] - [ -0.0015798900000000, -0.0038653800000000, -0.0026414400000000 ] - [ 0.0045045000000000, -0.0095555000000000, 0.0068345700000000 ] - [ -0.0001905000000000, -0.0005750900000000, -0.0009978300000000 ] - [ 0.0001111400000000, -0.0004387000000000, -0.0003541300000000 ] - [ 0.0003317100000000, -0.0003261600000000, -0.0005412500000000 ] - [ -0.0000347300000000, -0.0000183800000000, -0.0000547700000000 ] - [ -0.0295044100000000, 0.0639269600000000, -0.0150450700000000 ] - [ -0.0000346300000000, 0.0000181500000000, -0.0005487600000000 ] - [ 0.0110593800000000, 0.0500527500000000, -0.0211911500000000 ] - [ 0.0193996900000000, 0.0132715600000000, 0.0015724100000000 ] - [ -0.0148890200000000, 0.0088161900000000, -0.0029505400000000 ] - [ -0.0230453000000000, 0.0155484400000000, -0.0018620700000000 ] - [ -0.0001073100000000, 0.0003489600000000, 0.0000027900000000 ] - [ 0.0003839900000000, -0.0002162500000000, 0.0000536300000000 ] - [ -0.0001699100000000, -0.0002324300000000, -0.0000096300000000 ] - [ -0.0028028700000000, -0.0082765300000000, 0.0048556100000000 ] - [ 0.0023022200000000, -0.0057487400000000, -0.0029999800000000 ] - [ -0.0019093300000000, 0.0021215900000000, 0.0033616900000000 ] - [ 0.0000063100000000, 0.0001371000000000, 0.0000230800000000 ] - [ 0.0001303700000000, -0.0000821800000000, 0.0000323000000000 ] - [ -0.0001243800000000, -0.0000965900000000, 0.0000058200000000 ] - [ 0.0002511000000000, 0.0000032200000000, -0.0003977100000000 ] - [ -0.0001288600000000, 0.0002153000000000, -0.0003964800000000 ] - [ -0.0001226300000000, -0.0002189000000000, -0.0003977200000000 ] - [ -0.0002505600000000, -0.0000342600000000, -0.0004703500000000 ] - [ 0.0001252000000000, 0.0001975500000000, -0.0004407000000000 ] - [ 0.0001131700000000, -0.0002588200000000, -0.0003783400000000 ] - [ 0.0000160900000000, 0.0000339400000000, -0.0000895500000000 ] - [ -0.0000019300000000, -0.0000018600000000, -0.0000640900000000 ] - [ 0.0000106800000000, -0.0000550600000000, -0.0006088300000000 ] - [ -0.0000002900000000, -0.0000006300000000, -0.0005102300000000 ] - [ 0.0000526200000000, 0.0003638300000000, 0.0000025800000000 ] - [ -0.0003422000000000, -0.0001344300000000, 0.0000031000000000 ] - [ 0.0002860300000000, -0.0002281800000000, 0.0000024900000000 ] - [ 0.0000116800000000, 0.0003268100000000, 0.0000553300000000 ] - [ 0.0002369400000000, -0.0001551400000000, 0.0000115200000000 ] - [ -0.0003256500000000, -0.0002350300000000, 0.0000071800000000 ] - [ -0.0000003400000000, 0.0001379400000000, 0.0000346600000000 ] - [ -0.0001228600000000, -0.0000746400000000, 0.0000367600000000 ] - [ 0.0001224100000000, -0.0000767300000000, 0.0000321000000000 ] - [ 0.0000524900000000, 0.0003705100000000, -0.0002538800000000 ] - [ 0.0002094300000000, -0.0011976500000000, 0.0001490000000000 ] - [ -0.0011133800000000, -0.0008888500000000, -0.0004053200000000 ] - [ 0.0002469900000000, -0.0000058900000000, -0.0004256500000000 ] - [ -0.0001207300000000, 0.0002164000000000, -0.0004215400000000 ] - [ -0.0001265400000000, -0.0002136700000000, -0.0004173800000000 ] - [ -0.0002528500000000, 0.0000011400000000, -0.0004028100000000 ] - [ 0.0001273500000000, 0.0002184500000000, -0.0004028800000000 ] - [ 0.0001261400000000, -0.0002196000000000, -0.0004024100000000 ] - [ 0.0000016300000000, 0.0000007400000000, -0.0000666700000000 ] - [ -0.0000015600000000, -0.0000006300000000, -0.0000592900000000 ] - [ 0.0000012700000000, 0.0000006900000000, -0.0005075700000000 ] - [ -0.0000008000000000, -0.0000013100000000, -0.0005187900000000 ] - [ 0.0000520200000000, 0.0003642400000000, 0.0000009200000000 ] - [ -0.0003421400000000, -0.0001354600000000, 0.0000013000000000 ] - [ 0.0002878600000000, -0.0002288400000000, 0.0000003600000000 ] - [ -0.0000542100000000, 0.0003645000000000, 0.0000051300000000 ] - [ 0.0003420100000000, -0.0001358100000000, 0.0000046400000000 ] - [ -0.0002910100000000, -0.0002268600000000, 0.0000040600000000 ] - [ 0.0000029100000000, 0.0001466900000000, 0.0000218000000000 ] - [ -0.0001264400000000, -0.0000714900000000, 0.0000244500000000 ] - [ 0.0001257100000000, -0.0000760400000000, 0.0000231800000000 ] - [ -0.0000072000000000, 0.0001419400000000, 0.0000260000000000 ] - [ 0.0001246800000000, -0.0000647600000000, 0.0000283500000000 ] - [ -0.0001174900000000, -0.0000754800000000, 0.0000270800000000 ]- atom: 3 displacement: [ 0.0050000000082145, -0.0086602540331018, 0.0000000000000000 ] forces: - [ 0.0000035400000000, 0.0000035500000000, -0.0008246900000000 ] - [ 0.0006735300000000, -0.0108989000000000, -0.0114901800000000 ] - [ -0.0923315800000000, 0.2705977900000000, -0.0079054300000000 ] - [ 0.0163484200000000, -0.0498603800000000, -0.0047288400000000 ] - [ 0.0353904900000000, -0.0749214200000000, 0.0002672700000000 ] - [ 0.0000259100000000, -0.0007234600000000, -0.0001351100000000 ] - [ -0.0004949500000000, 0.0003532700000000, 0.0002398400000000 ] - [ 0.0005316900000000, 0.0002857300000000, 0.0000777300000000 ] - [ -0.0030969700000000, -0.0063248700000000, -0.0045304500000000 ] - [ -0.0000139800000000, -0.0000220100000000, -0.0008233500000000 ] - [ 0.0000420900000000, -0.0006152700000000, 0.0000793000000000 ] - [ 0.0005143100000000, 0.0003440500000000, 0.0000799400000000 ] - [ -0.0005521500000000, 0.0002719100000000, 0.0000818100000000 ] - [ -0.0001242300000000, -0.0006278200000000, -0.0002807200000000 ] - [ -0.0004448800000000, 0.0003731000000000, 0.0001259000000000 ] - [ 0.0005239000000000, 0.0001160900000000, 0.0001800400000000 ] - [ 0.0000004200000000, -0.0000014000000000, -0.0008067400000000 ] - [ -0.0000021300000000, 0.0000008400000000, -0.0008323500000000 ] - [ 0.0000380500000000, -0.0006111900000000, 0.0000669800000000 ] - [ 0.0005103700000000, 0.0003392900000000, 0.0000702700000000 ] - [ -0.0005454300000000, 0.0002716900000000, 0.0000717800000000 ] - [ -0.0000424300000000, -0.0006144000000000, 0.0000499700000000 ] - [ -0.0005105000000000, 0.0003422100000000, 0.0000501200000000 ] - [ 0.0005520700000000, 0.0002689500000000, 0.0000496200000000 ] - [ 0.0013010100000000, 0.0008351100000000, -0.0014734300000000 ] - [ -0.0003592800000000, -0.0002226400000000, 0.0038168600000000 ] - [ 0.0003446100000000, 0.0018154400000000, 0.0010250800000000 ] - [ -0.0000001700000000, -0.0000005500000000, -0.0005301000000000 ] - [ -0.0000009200000000, 0.0000005400000000, -0.0000991200000000 ] - [ -0.0000008800000000, 0.0000005700000000, -0.0001457500000000 ] - [ 0.0000036900000000, 0.0000010500000000, -0.0005319900000000 ] - [ -0.0000136700000000, -0.0004758400000000, 0.0028591900000000 ] - [ -0.0000015100000000, 0.0000017100000000, -0.0001436900000000 ] - [ 0.0000000300000000, 0.0000003400000000, -0.0001724500000000 ] - [ 0.0000009700000000, 0.0000016000000000, -0.0005409600000000 ] - [ 0.0000003800000000, -0.0000009700000000, -0.0005428900000000 ] - [ 0.0044344900000000, -0.0053501100000000, -0.0110675300000000 ] - [ 0.0013395600000000, 0.0043685700000000, 0.0021141400000000 ] - [ -0.0047917400000000, 0.0091167600000000, -0.0073755500000000 ] - [ -0.0003707100000000, 0.0006882900000000, 0.0006471900000000 ] - [ 0.0002752800000000, 0.0008613000000000, -0.0000131200000000 ] - [ -0.0001502400000000, -0.0002314500000000, 0.0001959400000000 ] - [ 0.0000366200000000, 0.0000231900000000, 0.0000371100000000 ] - [ 0.0322407300000000, -0.0696329300000000, 0.0159654200000000 ] - [ 0.0000350900000000, -0.0000192100000000, -0.0003440100000000 ] - [ -0.0099848500000000, -0.0488496100000000, 0.0196690600000000 ] - [ -0.0181158300000000, -0.0128079500000000, -0.0014592900000000 ] - [ 0.0139722900000000, -0.0096057300000000, 0.0030212000000000 ] - [ 0.0197216000000000, -0.0130106600000000, 0.0018308200000000 ] - [ 0.0000015700000000, 0.0003962000000000, 0.0001035600000000 ] - [ 0.0003088400000000, -0.0000620700000000, 0.0000515700000000 ] - [ -0.0004236400000000, -0.0002300000000000, 0.0001170100000000 ] - [ 0.0028008200000000, 0.0084126800000000, -0.0043924500000000 ] - [ -0.0024418000000000, 0.0055296300000000, 0.0034597800000000 ] - [ 0.0019212600000000, -0.0019502900000000, -0.0024040000000000 ] - [ 0.0000819200000000, 0.0000355800000000, 0.0004181600000000 ] - [ -0.0000290600000000, -0.0000787800000000, 0.0004108900000000 ] - [ -0.0000673800000000, 0.0000854500000000, 0.0004389600000000 ] - [ 0.0003159600000000, 0.0001157000000000, 0.0000464800000000 ] - [ -0.0002572100000000, 0.0002158400000000, 0.0000463600000000 ] - [ -0.0000580700000000, -0.0003306500000000, 0.0000462100000000 ] - [ -0.0003116100000000, 0.0001462600000000, 0.0000731500000000 ] - [ 0.0002581300000000, 0.0002362000000000, 0.0000522300000000 ] - [ 0.0000718700000000, -0.0002867000000000, -0.0000129600000000 ] - [ -0.0000161000000000, -0.0000279300000000, 0.0000834000000000 ] - [ -0.0000012400000000, -0.0000020600000000, 0.0000516500000000 ] - [ -0.0000074800000000, 0.0000523200000000, -0.0003000100000000 ] - [ 0.0000002900000000, 0.0000002100000000, -0.0003839700000000 ] - [ 0.0000527600000000, 0.0003809800000000, 0.0001067100000000 ] - [ -0.0003562000000000, -0.0001435500000000, 0.0001065200000000 ] - [ 0.0003002500000000, -0.0002352900000000, 0.0001061200000000 ] - [ -0.0001184500000000, 0.0004223100000000, 0.0000507800000000 ] - [ 0.0004591000000000, -0.0001211300000000, 0.0000913500000000 ] - [ -0.0002713700000000, -0.0002306800000000, 0.0000953100000000 ] - [ -0.0000883500000000, 0.0000298900000000, 0.0004095000000000 ] - [ 0.0000247900000000, -0.0000871900000000, 0.0004092400000000 ] - [ 0.0000681200000000, 0.0000694200000000, 0.0004116300000000 ] - [ 0.0000547600000000, -0.0001737600000000, 0.0006942900000000 ] - [ -0.0001094700000000, 0.0010706000000000, 0.0003052500000000 ] - [ 0.0009247200000000, 0.0008981000000000, 0.0008010200000000 ] - [ 0.0003183700000000, 0.0001188300000000, 0.0000340900000000 ] - [ -0.0002610800000000, 0.0002169400000000, 0.0000281900000000 ] - [ -0.0000568900000000, -0.0003322000000000, 0.0000246200000000 ] - [ -0.0003196200000000, 0.0001172200000000, 0.0000533700000000 ] - [ 0.0002608400000000, 0.0002181200000000, 0.0000532500000000 ] - [ 0.0000588200000000, -0.0003355600000000, 0.0000529100000000 ] - [ 0.0000020900000000, 0.0000008600000000, 0.0000516600000000 ] - [ -0.0000021200000000, 0.0000002300000000, 0.0000533400000000 ] - [ 0.0000007600000000, 0.0000004600000000, -0.0003861600000000 ] - [ -0.0000010100000000, -0.0000016000000000, -0.0003943500000000 ] - [ 0.0000505400000000, 0.0003811800000000, 0.0001026100000000 ] - [ -0.0003548500000000, -0.0001433100000000, 0.0001021300000000 ] - [ 0.0003043400000000, -0.0002368000000000, 0.0001020700000000 ] - [ -0.0000542000000000, 0.0003827400000000, 0.0001080700000000 ] - [ 0.0003573500000000, -0.0001444300000000, 0.0001076300000000 ] - [ -0.0003058100000000, -0.0002364000000000, 0.0001071700000000 ] - [ -0.0000936200000000, 0.0000232000000000, 0.0004034200000000 ] - [ 0.0000273000000000, -0.0000935500000000, 0.0004037700000000 ] - [ 0.0000674900000000, 0.0000698400000000, 0.0004048700000000 ] - [ 0.0000912700000000, 0.0000165700000000, 0.0004053700000000 ] - [ -0.0000321500000000, -0.0000872500000000, 0.0004064700000000 ] - [ -0.0000576400000000, 0.0000734400000000, 0.0004069100000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000402600000000, -0.0001596700000000, 0.0119179300000000 ] - [ -0.0268252800000000, 0.0561834100000000, 0.0172918600000000 ] - [ -0.0082158500000000, 0.0038166300000000, -0.3178132900000000 ] - [ 0.0007460500000000, 0.0001928600000000, -0.0627858200000000 ] - [ 0.0046500000000000, -0.0000405700000000, -0.0627476800000000 ] - [ -0.0006475600000000, 0.0005284200000000, 0.0102499100000000 ] - [ 0.0005349200000000, 0.0006315100000000, 0.0114630700000000 ] - [ 0.0003376400000000, -0.0005154100000000, 0.0109022000000000 ] - [ 0.0253263100000000, 0.0565826500000000, 0.0227266400000000 ] - [ 0.0002112100000000, -0.0002010400000000, 0.0119393000000000 ] - [ 0.0006738000000000, 0.0001261300000000, 0.0107387300000000 ] - [ -0.0004383100000000, 0.0005213800000000, 0.0107042400000000 ] - [ -0.0002278800000000, -0.0006461800000000, 0.0107215700000000 ] - [ -0.0003984900000000, 0.0002153400000000, 0.0102413500000000 ] - [ 0.0005761700000000, 0.0007710900000000, 0.0114514100000000 ] - [ 0.0002271600000000, -0.0006921500000000, 0.0109006500000000 ] - [ 0.0000018100000000, 0.0000018600000000, 0.0119436600000000 ] - [ -0.0000031100000000, 0.0000023600000000, 0.0119185800000000 ] - [ 0.0006731400000000, 0.0001353100000000, 0.0107300300000000 ] - [ -0.0004432600000000, 0.0005135500000000, 0.0107120600000000 ] - [ -0.0002194600000000, -0.0006427100000000, 0.0106957700000000 ] - [ -0.0006749400000000, 0.0001242100000000, 0.0106874300000000 ] - [ 0.0004475500000000, 0.0005194000000000, 0.0106890400000000 ] - [ 0.0002273800000000, -0.0006476100000000, 0.0106887700000000 ] - [ -0.0067888400000000, -0.0007177300000000, 0.0025914700000000 ] - [ -0.0029399900000000, -0.0076645800000000, 0.0034984500000000 ] - [ 0.0071250800000000, -0.0004797700000000, 0.0001599100000000 ] - [ 0.0000107600000000, 0.0000020300000000, 0.0016735900000000 ] - [ -0.0000004900000000, -0.0000000800000000, 0.0022407500000000 ] - [ -0.0000129800000000, 0.0000001600000000, 0.0021998000000000 ] - [ 0.0000035000000000, 0.0000265300000000, 0.0016763200000000 ] - [ 0.0025446900000000, -0.0075416600000000, 0.0046768000000000 ] - [ -0.0000129900000000, 0.0000014400000000, 0.0022016000000000 ] - [ 0.0000002400000000, 0.0000001100000000, 0.0021686500000000 ] - [ 0.0000010200000000, 0.0000012000000000, 0.0016624600000000 ] - [ 0.0000002100000000, -0.0000015000000000, 0.0016584500000000 ] - [ 0.0088776400000000, 0.0105237800000000, 0.1689948500000000 ] - [ -0.0131588700000000, -0.0027556300000000, 0.0339979900000000 ] - [ 0.0026153100000000, -0.0140998800000000, 0.0343810500000000 ] - [ 0.0014702000000000, -0.0044486500000000, -0.0078490700000000 ] - [ -0.0021919300000000, -0.0028923900000000, -0.0087638400000000 ] - [ 0.0035501600000000, -0.0000199600000000, -0.0076851200000000 ] - [ -0.0002378400000000, 0.0001249400000000, -0.0017567300000000 ] - [ 0.0027580500000000, -0.0102902200000000, 0.0156196500000000 ] - [ -0.0000254800000000, -0.0000081300000000, -0.0025319900000000 ] - [ -0.0115866500000000, -0.0274513200000000, 0.0280752900000000 ] - [ -0.0034323700000000, 0.0022478600000000, 0.0213706500000000 ] - [ 0.0069589400000000, 0.0019926500000000, 0.0213714000000000 ] - [ 0.0007157500000000, -0.0019371800000000, 0.0191283000000000 ] - [ 0.0000064500000000, -0.0001089500000000, -0.0016517400000000 ] - [ 0.0001314400000000, -0.0000830400000000, -0.0015223400000000 ] - [ -0.0000245200000000, -0.0003552700000000, -0.0015713200000000 ] - [ -0.0055937600000000, -0.0123811000000000, 0.0265574200000000 ] - [ 0.0135017200000000, -0.0034757900000000, 0.0267051400000000 ] - [ 0.0074805800000000, -0.0205272300000000, 0.0172100900000000 ] - [ -0.0013264600000000, 0.0017875400000000, -0.0059413600000000 ] - [ 0.0022553100000000, 0.0002277200000000, -0.0057186300000000 ] - [ -0.0008876300000000, -0.0021702500000000, -0.0057847800000000 ] - [ -0.0008236700000000, -0.0019007700000000, -0.0071805200000000 ] - [ 0.0020537600000000, 0.0002393200000000, -0.0071731300000000 ] - [ -0.0012348500000000, 0.0016624600000000, -0.0071767300000000 ] - [ 0.0006410700000000, -0.0018911200000000, -0.0067775000000000 ] - [ -0.0023546800000000, 0.0000384500000000, -0.0076596300000000 ] - [ 0.0011438500000000, 0.0015402400000000, -0.0073697500000000 ] - [ 0.0000745700000000, -0.0000300200000000, -0.0016980900000000 ] - [ -0.0000010900000000, 0.0000012200000000, -0.0017501700000000 ] - [ -0.0001387300000000, 0.0001009000000000, -0.0025512100000000 ] - [ -0.0000026500000000, -0.0000018000000000, -0.0025222200000000 ] - [ 0.0000719100000000, 0.0000658900000000, -0.0015774600000000 ] - [ -0.0000958100000000, 0.0000350800000000, -0.0015768700000000 ] - [ 0.0000196000000000, -0.0000993000000000, -0.0015765700000000 ] - [ -0.0001585300000000, -0.0002672500000000, -0.0017262400000000 ] - [ -0.0000010600000000, -0.0002801400000000, -0.0015764300000000 ] - [ -0.0001148800000000, -0.0002905900000000, -0.0014369000000000 ] - [ 0.0013256700000000, 0.0018125400000000, -0.0057609000000000 ] - [ -0.0022777000000000, 0.0002800800000000, -0.0057866900000000 ] - [ 0.0008707000000000, -0.0020714600000000, -0.0058225000000000 ] - [ -0.0057203200000000, -0.0019740400000000, -0.0091158200000000 ] - [ 0.0020603000000000, -0.0049372300000000, -0.0077067400000000 ] - [ -0.0036880700000000, -0.0068771100000000, -0.0036098300000000 ] - [ -0.0008374700000000, -0.0019069000000000, -0.0072328600000000 ] - [ 0.0020598600000000, 0.0002504300000000, -0.0071984400000000 ] - [ -0.0012299200000000, 0.0016576800000000, -0.0071665900000000 ] - [ 0.0008192600000000, -0.0019000600000000, -0.0071738700000000 ] - [ -0.0020555300000000, 0.0002404300000000, -0.0071747800000000 ] - [ 0.0012364800000000, 0.0016592000000000, -0.0071747100000000 ] - [ 0.0000023000000000, 0.0000013000000000, -0.0017498700000000 ] - [ 0.0000016800000000, -0.0000024400000000, -0.0017473900000000 ] - [ 0.0000002300000000, 0.0000003400000000, -0.0025225100000000 ] - [ -0.0000008700000000, 0.0000007600000000, -0.0025323900000000 ] - [ 0.0000749300000000, 0.0000662500000000, -0.0015813700000000 ] - [ -0.0001019600000000, 0.0000269500000000, -0.0015796800000000 ] - [ 0.0000180500000000, -0.0000960500000000, -0.0015821700000000 ] - [ -0.0000762400000000, 0.0000684100000000, -0.0015746100000000 ] - [ 0.0000949000000000, 0.0000321600000000, -0.0015748400000000 ] - [ -0.0000220900000000, -0.0000977500000000, -0.0015749900000000 ] - [ 0.0013464000000000, 0.0018049100000000, -0.0057894200000000 ] - [ -0.0022342900000000, 0.0002631300000000, -0.0057856100000000 ] - [ 0.0008896000000000, -0.0020695600000000, -0.0057933700000000 ] - [ -0.0013515300000000, 0.0018001400000000, -0.0057902300000000 ] - [ 0.0022343800000000, 0.0002704900000000, -0.0057895600000000 ] - [ -0.0008831000000000, -0.0020715900000000, -0.0057894100000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000425900000000, 0.0001603000000000, -0.0128486900000000 ] - [ 0.0270757100000000, -0.0568104300000000, -0.0183562500000000 ] - [ 0.0065810400000000, -0.0071894400000000, 0.3092513200000000 ] - [ 0.0002827400000000, 0.0006710300000000, 0.0635126800000000 ] - [ -0.0056360200000000, 0.0004578800000000, 0.0635527600000000 ] - [ 0.0005228100000000, -0.0017315200000000, -0.0094981200000000 ] - [ -0.0015052800000000, 0.0000733500000000, -0.0107035900000000 ] - [ 0.0007651000000000, 0.0010055100000000, -0.0101635700000000 ] - [ -0.0252598700000000, -0.0563713600000000, -0.0235678100000000 ] - [ -0.0002132700000000, 0.0002021700000000, -0.0128694900000000 ] - [ -0.0005462000000000, -0.0013266000000000, -0.0099840600000000 ] - [ 0.0014181300000000, 0.0001885400000000, -0.0099494200000000 ] - [ -0.0008706500000000, 0.0011373300000000, -0.0099659900000000 ] - [ 0.0002764100000000, -0.0014156300000000, -0.0095003600000000 ] - [ -0.0015485300000000, -0.0000800700000000, -0.0107093300000000 ] - [ 0.0008650700000000, 0.0011831800000000, -0.0101598600000000 ] - [ -0.0000011900000000, -0.0000004500000000, -0.0128291900000000 ] - [ 0.0000016000000000, -0.0000002300000000, -0.0128489100000000 ] - [ -0.0005536300000000, -0.0013248500000000, -0.0099907600000000 ] - [ 0.0014178800000000, 0.0001856600000000, -0.0099744200000000 ] - [ -0.0008664400000000, 0.0011337100000000, -0.0099567700000000 ] - [ 0.0005442600000000, -0.0013238900000000, -0.0099931300000000 ] - [ -0.0014160900000000, 0.0001876000000000, -0.0099926500000000 ] - [ 0.0008719600000000, 0.0011319300000000, -0.0099920100000000 ] - [ 0.0067272000000000, 0.0007099000000000, -0.0028019300000000 ] - [ 0.0029734900000000, 0.0077753000000000, -0.0036082400000000 ] - [ -0.0072148700000000, 0.0004914800000000, -0.0010978000000000 ] - [ -0.0000116600000000, -0.0000033500000000, -0.0026203500000000 ] - [ -0.0000002100000000, 0.0000000800000000, -0.0023166900000000 ] - [ 0.0000136900000000, 0.0000002900000000, -0.0023591000000000 ] - [ -0.0000024100000000, -0.0000245400000000, -0.0026234900000000 ] - [ -0.0025186600000000, 0.0074632300000000, -0.0056106200000000 ] - [ 0.0000120500000000, -0.0000024700000000, -0.0023602400000000 ] - [ 0.0000006200000000, 0.0000006500000000, -0.0023894800000000 ] - [ 0.0000003900000000, 0.0000010400000000, -0.0026322100000000 ] - [ -0.0000001200000000, -0.0000001600000000, -0.0026370600000000 ] - [ -0.0071139100000000, -0.0083301400000000, -0.1573898700000000 ] - [ 0.0126964100000000, 0.0031206200000000, -0.0341539800000000 ] - [ -0.0028070100000000, 0.0134698400000000, -0.0345066600000000 ] - [ -0.0020241000000000, 0.0045585100000000, 0.0075524200000000 ] - [ 0.0025228000000000, 0.0033480000000000, 0.0084561600000000 ] - [ -0.0033662600000000, -0.0004724100000000, 0.0074056600000000 ] - [ 0.0002399000000000, -0.0001174400000000, 0.0017663900000000 ] - [ -0.0030766000000000, 0.0110799200000000, -0.0156451800000000 ] - [ 0.0000277700000000, 0.0000064400000000, 0.0016171000000000 ] - [ 0.0115949600000000, 0.0275128300000000, -0.0285670000000000 ] - [ 0.0033515500000000, -0.0015063900000000, -0.0211983000000000 ] - [ -0.0074935700000000, -0.0021048800000000, -0.0210328100000000 ] - [ 0.0004485500000000, 0.0011802800000000, -0.0188509000000000 ] - [ -0.0001244200000000, 0.0008371900000000, 0.0017689700000000 ] - [ 0.0005546200000000, -0.0001756100000000, 0.0016398300000000 ] - [ -0.0005521600000000, -0.0001080600000000, 0.0016893800000000 ] - [ 0.0054740000000000, 0.0125926200000000, -0.0263192000000000 ] - [ -0.0135902800000000, 0.0033686300000000, -0.0264393200000000 ] - [ -0.0072268600000000, 0.0201804800000000, -0.0203426600000000 ] - [ 0.0014374900000000, -0.0016589800000000, 0.0064044300000000 ] - [ -0.0021989800000000, -0.0003867400000000, 0.0061817000000000 ] - [ 0.0007217300000000, 0.0022007300000000, 0.0062470100000000 ] - [ 0.0013796500000000, 0.0019925500000000, 0.0068758200000000 ] - [ -0.0024115500000000, 0.0001957100000000, 0.0068665100000000 ] - [ 0.0010375300000000, -0.0021894200000000, 0.0068707500000000 ] - [ -0.0011935500000000, 0.0019785800000000, 0.0064239300000000 ] - [ 0.0027088900000000, 0.0003992200000000, 0.0073116800000000 ] - [ -0.0009401500000000, -0.0020624900000000, 0.0070195400000000 ] - [ -0.0000743900000000, 0.0000358100000000, 0.0017089500000000 ] - [ -0.0000017000000000, -0.0000047500000000, 0.0017568700000000 ] - [ 0.0001380100000000, -0.0001021700000000, 0.0016149600000000 ] - [ 0.0000033300000000, 0.0000013900000000, 0.0016073500000000 ] - [ 0.0000422600000000, 0.0006659100000000, 0.0016939400000000 ] - [ -0.0005947400000000, -0.0003001200000000, 0.0016935000000000 ] - [ 0.0005504000000000, -0.0003639200000000, 0.0016922800000000 ] - [ 0.0000401800000000, 0.0010024500000000, 0.0018355000000000 ] - [ 0.0006956700000000, 0.0000167700000000, 0.0016854000000000 ] - [ -0.0004643800000000, -0.0001761600000000, 0.0015444300000000 ] - [ -0.0014352500000000, -0.0016840000000000, 0.0062229900000000 ] - [ 0.0022215200000000, -0.0004407400000000, 0.0062491700000000 ] - [ -0.0007041600000000, 0.0021032900000000, 0.0062839800000000 ] - [ 0.0058744100000000, 0.0020300200000000, 0.0095961400000000 ] - [ -0.0020824500000000, 0.0047588500000000, 0.0081873100000000 ] - [ 0.0035630000000000, 0.0069887600000000, 0.0040891700000000 ] - [ 0.0013915900000000, 0.0019941100000000, 0.0068830500000000 ] - [ -0.0024128800000000, 0.0001850500000000, 0.0068502300000000 ] - [ 0.0010300600000000, -0.0021804200000000, 0.0068176300000000 ] - [ -0.0013792700000000, 0.0019908600000000, 0.0068659600000000 ] - [ 0.0024137000000000, 0.0001992200000000, 0.0068662000000000 ] - [ -0.0010341100000000, -0.0021902900000000, 0.0068651700000000 ] - [ 0.0000022600000000, 0.0000009400000000, 0.0017546100000000 ] - [ -0.0000054800000000, 0.0000007800000000, 0.0017619000000000 ] - [ 0.0000002500000000, 0.0000003600000000, 0.0016107300000000 ] - [ 0.0000002000000000, -0.0000026100000000, 0.0016020400000000 ] - [ 0.0000375400000000, 0.0006685100000000, 0.0016935600000000 ] - [ -0.0005902000000000, -0.0002936800000000, 0.0016917200000000 ] - [ 0.0005582700000000, -0.0003710000000000, 0.0016933400000000 ] - [ -0.0000407000000000, 0.0006667100000000, 0.0016960400000000 ] - [ 0.0005953300000000, -0.0002977100000000, 0.0016956600000000 ] - [ -0.0005576500000000, -0.0003661200000000, 0.0016955500000000 ] - [ -0.0014605700000000, -0.0016775700000000, 0.0062377500000000 ] - [ 0.0021813300000000, -0.0004269400000000, 0.0062345100000000 ] - [ -0.0007215300000000, 0.0021048000000000, 0.0062415400000000 ] - [ 0.0014585100000000, -0.0016841200000000, 0.0062418400000000 ] - [ -0.0021870900000000, -0.0004203800000000, 0.0062414300000000 ] - [ 0.0007298800000000, 0.0021033500000000, 0.0062410400000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000005500000000, 0.0000005200000000, -0.0004396200000000 ] - [ 0.0001956000000000, -0.0002809000000000, -0.0004188800000000 ] - [ 0.0008884700000000, -0.0015971200000000, -0.0064338500000000 ] - [ -0.0006591900000000, -0.0005783700000000, 0.0043785500000000 ] - [ -0.0006208300000000, 0.0009607900000000, 0.0031363200000000 ] - [ -0.0000672000000000, -0.0005900900000000, 0.0004199400000000 ] - [ -0.0004760200000000, 0.0003479400000000, 0.0003996000000000 ] - [ 0.0005409300000000, 0.0002385600000000, 0.0004000600000000 ] - [ 0.0207126300000000, -0.0040891700000000, -0.0004365200000000 ] - [ -0.0004356800000000, -0.0000464700000000, -0.0004406000000000 ] - [ 0.0000636100000000, -0.0005876800000000, 0.0003945400000000 ] - [ 0.0004787000000000, 0.0003492200000000, 0.0004113100000000 ] - [ -0.0005410900000000, 0.0002387900000000, 0.0004149200000000 ] - [ -0.0002510700000000, -0.0008857100000000, 0.0033451200000000 ] - [ 0.0006115300000000, 0.0005402800000000, -0.0077312000000000 ] - [ 0.0005325700000000, 0.0012550900000000, 0.0056074000000000 ] - [ 0.0000002700000000, -0.0000028500000000, -0.0004173800000000 ] - [ -0.0000014600000000, 0.0000004900000000, -0.0004402200000000 ] - [ 0.0000621000000000, -0.0005840100000000, 0.0003986600000000 ] - [ 0.0004778900000000, 0.0003454200000000, 0.0003991100000000 ] - [ -0.0005339000000000, 0.0002392300000000, 0.0003999000000000 ] - [ -0.0000645900000000, -0.0005869500000000, 0.0003768400000000 ] - [ -0.0004744000000000, 0.0003483600000000, 0.0003767300000000 ] - [ 0.0005403000000000, 0.0002356500000000, 0.0003765500000000 ] - [ -0.0152351000000000, -0.0002105200000000, -0.0002547900000000 ] - [ 0.0000140100000000, 0.0000314000000000, -0.0000210700000000 ] - [ -0.0000384200000000, -0.0000117200000000, -0.0004740300000000 ] - [ 0.0000002600000000, -0.0000006100000000, -0.0004582700000000 ] - [ -0.0000000200000000, -0.0000005800000000, -0.0000219400000000 ] - [ 0.0000133500000000, 0.0000307700000000, -0.0000633100000000 ] - [ 0.0000314500000000, -0.0000197900000000, -0.0004582300000000 ] - [ 0.0015200900000000, 0.0015095100000000, -0.0004674900000000 ] - [ 0.0000008300000000, 0.0000006500000000, -0.0000634800000000 ] - [ 0.0000006000000000, -0.0000000900000000, -0.0000947500000000 ] - [ 0.0000008200000000, 0.0000010400000000, -0.0004695400000000 ] - [ 0.0000000600000000, -0.0000009900000000, -0.0004754600000000 ] - [ -0.0016707100000000, -0.0008426500000000, 0.0009963000000000 ] - [ -0.0019611100000000, 0.0007353900000000, -0.0003481800000000 ] - [ -0.0008039700000000, -0.0007216700000000, -0.0012475700000000 ] - [ -0.0002785800000000, 0.0000475800000000, -0.0001843800000000 ] - [ 0.0001750700000000, 0.0002386500000000, -0.0001731600000000 ] - [ 0.0000775500000000, -0.0002587600000000, -0.0001744700000000 ] - [ 0.0000017700000000, 0.0000005300000000, -0.0000049500000000 ] - [ -0.0003270400000000, 0.0006316300000000, -0.0000011700000000 ] - [ 0.0000003200000000, 0.0000007000000000, -0.0004566400000000 ] - [ -0.0001897700000000, -0.0004010300000000, -0.0004555100000000 ] - [ -0.0001609100000000, 0.0001901300000000, -0.0003134200000000 ] - [ 0.0001190200000000, 0.0001284500000000, 0.0001001700000000 ] - [ 0.0008096200000000, -0.0007803900000000, 0.0003679500000000 ] - [ -0.0000578300000000, 0.0003666600000000, 0.0000495700000000 ] - [ 0.0003461500000000, -0.0001353200000000, 0.0000489400000000 ] - [ -0.0002890400000000, -0.0002284500000000, 0.0000492700000000 ] - [ 0.0000117100000000, 0.0001969500000000, -0.0001204500000000 ] - [ -0.0002247600000000, -0.0001056300000000, -0.0001754700000000 ] - [ -0.0001309300000000, 0.0002825900000000, 0.0009403400000000 ] - [ 0.0000515600000000, 0.0000707500000000, 0.0002183600000000 ] - [ 0.0000357000000000, -0.0000793600000000, 0.0002170800000000 ] - [ -0.0000850800000000, 0.0000087500000000, 0.0002203400000000 ] - [ 0.0002819500000000, 0.0000483400000000, -0.0001730300000000 ] - [ -0.0001774300000000, 0.0002178400000000, -0.0001786300000000 ] - [ -0.0000949400000000, -0.0002629100000000, -0.0001782300000000 ] - [ -0.0001788500000000, -0.0000545800000000, -0.0006092600000000 ] - [ 0.0003304600000000, 0.0003205300000000, 0.0009973500000000 ] - [ 0.0000513100000000, -0.0002082900000000, -0.0009843900000000 ] - [ -0.0006502400000000, 0.0007211500000000, -0.0000009500000000 ] - [ 0.0000009000000000, -0.0000034200000000, -0.0000043000000000 ] - [ 0.0006317300000000, -0.0001031500000000, -0.0004490100000000 ] - [ 0.0000003800000000, 0.0000003100000000, -0.0004568900000000 ] - [ 0.0000589700000000, 0.0003678500000000, 0.0000508900000000 ] - [ -0.0003438000000000, -0.0001354000000000, 0.0000494000000000 ] - [ 0.0002892500000000, -0.0002295500000000, 0.0000496500000000 ] - [ -0.0000115800000000, -0.0009575900000000, 0.0000403200000000 ] - [ 0.0006225000000000, 0.0001985800000000, 0.0000454500000000 ] - [ -0.0015669700000000, -0.0005292600000000, 0.0000477600000000 ] - [ 0.0000020300000000, 0.0000765900000000, 0.0002033400000000 ] - [ 0.0000203200000000, -0.0000520300000000, 0.0002073100000000 ] - [ 0.0001571500000000, 0.0000265400000000, 0.0002448000000000 ] - [ 0.0009012900000000, 0.0033735300000000, -0.0041729400000000 ] - [ -0.0029670500000000, 0.0021566700000000, 0.0035112200000000 ] - [ -0.0001068200000000, -0.0009201900000000, 0.0015308000000000 ] - [ 0.0002780300000000, 0.0000446900000000, -0.0001976700000000 ] - [ -0.0001775700000000, 0.0002173800000000, -0.0001982000000000 ] - [ -0.0000986900000000, -0.0002622600000000, -0.0001985000000000 ] - [ -0.0002801900000000, 0.0000468000000000, -0.0001769200000000 ] - [ 0.0001816400000000, 0.0002194200000000, -0.0001775500000000 ] - [ 0.0001004700000000, -0.0002664100000000, -0.0001767300000000 ] - [ 0.0000032900000000, 0.0000011200000000, -0.0000056400000000 ] - [ -0.0000009600000000, -0.0000008500000000, -0.0000012100000000 ] - [ 0.0000015600000000, 0.0000001600000000, -0.0004519500000000 ] - [ 0.0000002800000000, -0.0000007500000000, -0.0004653300000000 ] - [ 0.0000552000000000, 0.0003686000000000, 0.0000461900000000 ] - [ -0.0003450600000000, -0.0001355700000000, 0.0000473800000000 ] - [ 0.0002899400000000, -0.0002321600000000, 0.0000470100000000 ] - [ -0.0000556000000000, 0.0003689300000000, 0.0000521700000000 ] - [ 0.0003459900000000, -0.0001352700000000, 0.0000520700000000 ] - [ -0.0002912100000000, -0.0002320800000000, 0.0000521000000000 ] - [ -0.0000525000000000, 0.0000689600000000, 0.0002111000000000 ] - [ -0.0000322100000000, -0.0000812300000000, 0.0002115600000000 ] - [ 0.0000871400000000, 0.0000119000000000, 0.0002109800000000 ] - [ 0.0000503300000000, 0.0000642800000000, 0.0002134300000000 ] - [ 0.0000310400000000, -0.0000738900000000, 0.0002129500000000 ] - [ -0.0000768200000000, 0.0000111100000000, 0.0002142400000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000001700000000, -0.0000008200000000, -0.0004229300000000 ] - [ -0.0001955300000000, 0.0002792100000000, -0.0004014100000000 ] - [ -0.0007639800000000, 0.0004198600000000, 0.0070953300000000 ] - [ 0.0016133000000000, 0.0012860200000000, -0.0036022700000000 ] - [ -0.0004457400000000, -0.0004884600000000, -0.0023730900000000 ] - [ -0.0000593200000000, -0.0005920800000000, 0.0004065900000000 ] - [ -0.0004778500000000, 0.0003475200000000, 0.0004264600000000 ] - [ 0.0005437200000000, 0.0002394000000000, 0.0004260100000000 ] - [ -0.0207120600000000, 0.0042990000000000, -0.0004191900000000 ] - [ 0.0004377100000000, 0.0000461700000000, -0.0004243400000000 ] - [ 0.0000623400000000, -0.0005899400000000, 0.0004318300000000 ] - [ 0.0004844100000000, 0.0003500200000000, 0.0004127500000000 ] - [ -0.0005389700000000, 0.0002418800000000, 0.0004120700000000 ] - [ 0.0001101000000000, -0.0002662300000000, -0.0025572500000000 ] - [ -0.0015324500000000, 0.0001464700000000, 0.0086080000000000 ] - [ 0.0005191100000000, -0.0007921900000000, -0.0047952500000000 ] - [ 0.0000000700000000, 0.0000012900000000, -0.0004007300000000 ] - [ -0.0000026900000000, 0.0000009900000000, -0.0004231100000000 ] - [ 0.0000579100000000, -0.0005854000000000, 0.0004098300000000 ] - [ 0.0004790000000000, 0.0003435700000000, 0.0004109300000000 ] - [ -0.0005348800000000, 0.0002423200000000, 0.0004106500000000 ] - [ -0.0000634100000000, -0.0005892100000000, 0.0003890900000000 ] - [ -0.0004792000000000, 0.0003471600000000, 0.0003881500000000 ] - [ 0.0005396600000000, 0.0002386200000000, 0.0003885600000000 ] - [ 0.0155667600000000, -0.0002100700000000, -0.0002677000000000 ] - [ -0.0000137500000000, -0.0000298500000000, -0.0000281500000000 ] - [ 0.0000401300000000, 0.0000134500000000, -0.0004775000000000 ] - [ -0.0000011700000000, -0.0000010200000000, -0.0004613800000000 ] - [ -0.0000016800000000, 0.0000003800000000, -0.0000272700000000 ] - [ -0.0000134500000000, -0.0000304100000000, -0.0000707300000000 ] - [ -0.0000307900000000, 0.0000221200000000, -0.0004603800000000 ] - [ -0.0015292400000000, -0.0015507500000000, -0.0004707000000000 ] - [ -0.0000016500000000, 0.0000000400000000, -0.0000690200000000 ] - [ -0.0000002500000000, -0.0000003300000000, -0.0000998600000000 ] - [ 0.0000005900000000, 0.0000018500000000, -0.0004723600000000 ] - [ -0.0000004500000000, -0.0000002900000000, -0.0004775600000000 ] - [ 0.0023647900000000, 0.0009419500000000, -0.0014140100000000 ] - [ 0.0015506200000000, -0.0002152600000000, -0.0000932500000000 ] - [ 0.0006126900000000, 0.0001359200000000, 0.0008751500000000 ] - [ -0.0002811600000000, 0.0000525400000000, -0.0001829000000000 ] - [ 0.0001913400000000, 0.0001944700000000, -0.0001934100000000 ] - [ 0.0001157500000000, -0.0002766400000000, -0.0001931400000000 ] - [ 0.0000012000000000, 0.0000049000000000, -0.0000112900000000 ] - [ 0.0003247100000000, -0.0006263800000000, -0.0000066100000000 ] - [ -0.0000006000000000, -0.0000026800000000, -0.0004497700000000 ] - [ 0.0001832500000000, 0.0003970500000000, -0.0004496800000000 ] - [ 0.0002614100000000, 0.0005452700000000, 0.0004189200000000 ] - [ -0.0008239100000000, -0.0004073500000000, -0.0000009000000000 ] - [ -0.0002108000000000, 0.0003117900000000, -0.0002634900000000 ] - [ -0.0000527000000000, 0.0003719600000000, 0.0000486100000000 ] - [ 0.0003417500000000, -0.0001354600000000, 0.0000487400000000 ] - [ -0.0002958500000000, -0.0002343200000000, 0.0000494800000000 ] - [ -0.0001009300000000, -0.0000566900000000, 0.0005410700000000 ] - [ 0.0001457500000000, -0.0000437900000000, 0.0005976000000000 ] - [ 0.0002967300000000, -0.0002728200000000, -0.0005097700000000 ] - [ 0.0000440200000000, 0.0000841400000000, 0.0002143700000000 ] - [ 0.0000495400000000, -0.0000795200000000, 0.0002139000000000 ] - [ -0.0000956200000000, -0.0000060400000000, 0.0002125300000000 ] - [ 0.0002771700000000, 0.0000514300000000, -0.0001898000000000 ] - [ -0.0001884600000000, 0.0002156600000000, -0.0001838400000000 ] - [ -0.0000974400000000, -0.0002695200000000, -0.0001845600000000 ] - [ -0.0003764300000000, 0.0001487400000000, 0.0002102000000000 ] - [ 0.0000227300000000, 0.0001114200000000, -0.0014144500000000 ] - [ 0.0001463800000000, -0.0003191000000000, 0.0005789300000000 ] - [ 0.0006532100000000, -0.0007182500000000, -0.0000052300000000 ] - [ -0.0000036000000000, 0.0000000800000000, -0.0000078400000000 ] - [ -0.0006315700000000, 0.0001024400000000, -0.0004430000000000 ] - [ -0.0000002300000000, -0.0000010600000000, -0.0004520000000000 ] - [ 0.0000497800000000, 0.0003693600000000, 0.0000499200000000 ] - [ -0.0003493800000000, -0.0001369500000000, 0.0000510500000000 ] - [ 0.0002885200000000, -0.0002339200000000, 0.0000504900000000 ] - [ -0.0001050700000000, 0.0017011300000000, 0.0000491500000000 ] - [ 0.0000735900000000, -0.0004731200000000, 0.0000469200000000 ] - [ 0.0009859500000000, 0.0000674000000000, 0.0000390700000000 ] - [ -0.0000985100000000, 0.0000745400000000, 0.0002288100000000 ] - [ -0.0001006900000000, -0.0001078000000000, 0.0002268600000000 ] - [ 0.0000219900000000, -0.0000190000000000, 0.0001864100000000 ] - [ -0.0012784000000000, -0.0031338900000000, 0.0049094900000000 ] - [ 0.0031573400000000, -0.0020983200000000, -0.0029454700000000 ] - [ -0.0001097300000000, 0.0008436000000000, -0.0011063100000000 ] - [ 0.0002790700000000, 0.0000502200000000, -0.0002078200000000 ] - [ -0.0001847300000000, 0.0002169200000000, -0.0002083800000000 ] - [ -0.0000960200000000, -0.0002674800000000, -0.0002079000000000 ] - [ -0.0002837500000000, 0.0000527800000000, -0.0001851700000000 ] - [ 0.0001865500000000, 0.0002187900000000, -0.0001858800000000 ] - [ 0.0000957800000000, -0.0002719500000000, -0.0001846600000000 ] - [ 0.0000015400000000, 0.0000007300000000, -0.0000094400000000 ] - [ -0.0000021800000000, 0.0000000200000000, -0.0000058000000000 ] - [ -0.0000010900000000, 0.0000004500000000, -0.0004476400000000 ] - [ -0.0000015000000000, -0.0000015500000000, -0.0004600900000000 ] - [ 0.0000519100000000, 0.0003709200000000, 0.0000475600000000 ] - [ -0.0003486500000000, -0.0001377300000000, 0.0000464000000000 ] - [ 0.0002935800000000, -0.0002328400000000, 0.0000469600000000 ] - [ -0.0000559100000000, 0.0003715500000000, 0.0000525600000000 ] - [ 0.0003475100000000, -0.0001382500000000, 0.0000522400000000 ] - [ -0.0002960700000000, -0.0002318400000000, 0.0000519400000000 ] - [ -0.0000458900000000, 0.0000834300000000, 0.0002050500000000 ] - [ -0.0000485700000000, -0.0000818300000000, 0.0002061200000000 ] - [ 0.0000948100000000, -0.0000021300000000, 0.0002057000000000 ] - [ 0.0000412300000000, 0.0000760400000000, 0.0002079600000000 ] - [ 0.0000431200000000, -0.0000753500000000, 0.0002097700000000 ] - [ -0.0000863200000000, 0.0000009300000000, 0.0002095100000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0022921000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023731100000000 ] - [ -0.0018730100000000, -0.0001394100000000, 0.0030903000000000 ] - [ 0.0010572300000000, -0.0015523700000000, 0.0030903000000000 ] - [ 0.0008157700000000, 0.0016917800000000, 0.0030903000000000 ] - [ -0.0001959300000000, -0.0004318200000000, 0.0026870400000000 ] - [ -0.0002760000000000, 0.0003855900000000, 0.0026870400000000 ] - [ 0.0004719300000000, 0.0000462300000000, 0.0026870400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0276232000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023996400000000 ] - [ 0.0001964300000000, -0.0004321600000000, 0.0026894600000000 ] - [ 0.0002760500000000, 0.0003861900000000, 0.0026894600000000 ] - [ -0.0004724700000000, 0.0000459700000000, 0.0026894600000000 ] - [ 0.0029518900000000, -0.0067960800000000, 0.0039661100000000 ] - [ -0.0073615300000000, 0.0008416300000000, 0.0039661100000000 ] - [ 0.0044096400000000, 0.0059544600000000, 0.0039661100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023166000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022901400000000 ] - [ 0.0001934400000000, -0.0004268200000000, 0.0026763400000000 ] - [ 0.0002729200000000, 0.0003809300000000, 0.0026763400000000 ] - [ -0.0004663600000000, 0.0000458900000000, 0.0026763400000000 ] - [ -0.0001983100000000, -0.0004284000000000, 0.0026552400000000 ] - [ -0.0002718500000000, 0.0003859400000000, 0.0026552400000000 ] - [ 0.0004701600000000, 0.0000424600000000, 0.0026552400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0218945600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004949200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000653200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000064900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004654200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004481500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000368000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047605400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004280100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003945700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000079200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000158400000000 ] - [ 0.0042139800000000, 0.0028034400000000, 0.0042456300000000 ] - [ -0.0045348400000000, 0.0022477000000000, 0.0042456300000000 ] - [ 0.0003208600000000, -0.0050511400000000, 0.0042456300000000 ] - [ -0.0000329600000000, -0.0003723100000000, -0.0017233500000000 ] - [ -0.0003059500000000, 0.0002147000000000, -0.0017233500000000 ] - [ 0.0003389100000000, 0.0001576100000000, -0.0017233500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003856900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000717900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009114700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007448700000000 ] - [ -0.0001352400000000, 0.0004264900000000, -0.0006734700000000 ] - [ -0.0003017300000000, -0.0003303700000000, -0.0006734700000000 ] - [ 0.0004369700000000, -0.0000961200000000, -0.0006734700000000 ] - [ -0.0000608000000000, 0.0003011500000000, -0.0003070700000000 ] - [ 0.0002912100000000, -0.0000979200000000, -0.0003070700000000 ] - [ -0.0002304100000000, -0.0002032300000000, -0.0003070700000000 ] - [ 0.0002716600000000, 0.0005237100000000, -0.0010053900000000 ] - [ -0.0005893800000000, -0.0000265900000000, -0.0010053900000000 ] - [ 0.0003177200000000, -0.0004971200000000, -0.0010053900000000 ] - [ -0.0002604500000000, 0.0004568600000000, -0.0011098800000000 ] - [ 0.0005258800000000, -0.0000028700000000, -0.0011098800000000 ] - [ -0.0002654300000000, -0.0004539900000000, -0.0011098800000000 ] - [ 0.0000351500000000, -0.0003817100000000, -0.0017246200000000 ] - [ 0.0003130000000000, 0.0002213000000000, -0.0017246200000000 ] - [ -0.0003481500000000, 0.0001604100000000, -0.0017246200000000 ] - [ -0.0003021700000000, -0.0000115900000000, -0.0016025900000000 ] - [ 0.0001410500000000, 0.0002674800000000, -0.0016025900000000 ] - [ 0.0001611200000000, -0.0002558900000000, -0.0016025900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000491200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003924900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019466100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009136200000000 ] - [ 0.0000612800000000, 0.0002985500000000, -0.0003090400000000 ] - [ -0.0002891900000000, -0.0000962100000000, -0.0003090400000000 ] - [ 0.0002279100000000, -0.0002023400000000, -0.0003090400000000 ] - [ 0.0004656400000000, 0.0006514500000000, 0.0000315200000000 ] - [ 0.0003313600000000, -0.0007289800000000, 0.0000315200000000 ] - [ -0.0007969900000000, 0.0000775300000000, 0.0000315200000000 ] - [ 0.0002476900000000, 0.0004320200000000, -0.0010863600000000 ] - [ -0.0004979800000000, -0.0000015000000000, -0.0010863600000000 ] - [ 0.0002502900000000, -0.0004305100000000, -0.0010863600000000 ] - [ 0.0002746700000000, -0.0026201000000000, 0.0086198200000000 ] - [ -0.0024064100000000, 0.0010721700000000, 0.0086198200000000 ] - [ 0.0021317400000000, 0.0015479300000000, 0.0086198200000000 ] - [ 0.0000337800000000, -0.0003853600000000, -0.0017434200000000 ] - [ 0.0003168400000000, 0.0002219400000000, -0.0017434200000000 ] - [ -0.0003506200000000, 0.0001634200000000, -0.0017434200000000 ] - [ -0.0000374900000000, -0.0003828700000000, -0.0017257700000000 ] - [ -0.0003128300000000, 0.0002239000000000, -0.0017257700000000 ] - [ 0.0003503200000000, 0.0001589700000000, -0.0017257700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003905000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003856500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009030300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009209200000000 ] - [ 0.0000598800000000, 0.0003017400000000, -0.0003098700000000 ] - [ -0.0002912500000000, -0.0000990100000000, -0.0003098700000000 ] - [ 0.0002313700000000, -0.0002027200000000, -0.0003098700000000 ] - [ -0.0000600100000000, 0.0003024200000000, -0.0003054500000000 ] - [ 0.0002919100000000, -0.0000992400000000, -0.0003054500000000 ] - [ -0.0002319000000000, -0.0002031800000000, -0.0003054500000000 ] - [ 0.0002593800000000, 0.0004580400000000, -0.0011165900000000 ] - [ -0.0005263700000000, -0.0000043900000000, -0.0011165900000000 ] - [ 0.0002669900000000, -0.0004536500000000, -0.0011165900000000 ] - [ -0.0002649400000000, 0.0004518100000000, -0.0011141500000000 ] - [ 0.0005237500000000, 0.0000035400000000, -0.0011141500000000 ] - [ -0.0002588100000000, -0.0004553500000000, -0.0011141500000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0031597300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031969300000000 ] - [ 0.0020272900000000, -0.0010385200000000, -0.0022906700000000 ] - [ -0.0001142600000000, 0.0022749400000000, -0.0022906700000000 ] - [ -0.0019130300000000, -0.0012364200000000, -0.0022906700000000 ] - [ 0.0000740800000000, -0.0007514400000000, -0.0018645100000000 ] - [ -0.0006878000000000, 0.0003115600000000, -0.0018645100000000 ] - [ 0.0006137200000000, 0.0004398700000000, -0.0018645100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0267967700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032587200000000 ] - [ -0.0000711400000000, -0.0007484400000000, -0.0018701500000000 ] - [ 0.0006837400000000, 0.0003126100000000, -0.0018701500000000 ] - [ -0.0006126000000000, 0.0004358300000000, -0.0018701500000000 ] - [ -0.0030316000000000, 0.0055322500000000, -0.0031311400000000 ] - [ 0.0063068700000000, -0.0001406900000000, -0.0031311400000000 ] - [ -0.0032752700000000, -0.0053915600000000, -0.0031311400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031335200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031563100000000 ] - [ -0.0000773800000000, -0.0007456500000000, -0.0018712200000000 ] - [ 0.0006844500000000, 0.0003058100000000, -0.0018712200000000 ] - [ -0.0006070600000000, 0.0004398400000000, -0.0018712200000000 ] - [ 0.0000709000000000, -0.0007461100000000, -0.0018958700000000 ] - [ -0.0006816000000000, 0.0003116600000000, -0.0018958700000000 ] - [ 0.0006107000000000, 0.0004344600000000, -0.0018958700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0211072500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005486800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010231000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009320900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005360100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006023600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009693300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038153200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005673400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006050700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009419700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009476700000000 ] - [ -0.0036222600000000, -0.0027069200000000, -0.0046643300000000 ] - [ 0.0041553900000000, -0.0017835100000000, -0.0046643300000000 ] - [ -0.0005331300000000, 0.0044904300000000, -0.0046643300000000 ] - [ -0.0005286400000000, 0.0004734900000000, 0.0013753500000000 ] - [ 0.0006743700000000, 0.0002210700000000, 0.0013753500000000 ] - [ -0.0001457300000000, -0.0006945600000000, 0.0013753500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003789800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000490100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000026800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001632500000000 ] - [ 0.0002300700000000, 0.0003175100000000, 0.0007686800000000 ] - [ -0.0003900000000000, 0.0000404900000000, 0.0007686800000000 ] - [ 0.0001599300000000, -0.0003580000000000, 0.0007686800000000 ] - [ -0.0000479800000000, 0.0004363900000000, 0.0004123900000000 ] - [ 0.0004019100000000, -0.0001766400000000, 0.0004123900000000 ] - [ -0.0003539300000000, -0.0002597500000000, 0.0004123900000000 ] - [ -0.0003619600000000, -0.0003815900000000, 0.0014277400000000 ] - [ 0.0005114500000000, -0.0001226700000000, 0.0014277400000000 ] - [ -0.0001494900000000, 0.0005042600000000, 0.0014277400000000 ] - [ 0.0003579900000000, -0.0003051100000000, 0.0015430200000000 ] - [ -0.0004432200000000, -0.0001574800000000, 0.0015430200000000 ] - [ 0.0000852300000000, 0.0004625800000000, 0.0015430200000000 ] - [ 0.0005250500000000, 0.0004853200000000, 0.0013565300000000 ] - [ -0.0006828300000000, 0.0002120500000000, 0.0013565300000000 ] - [ 0.0001577700000000, -0.0006973700000000, 0.0013565300000000 ] - [ -0.0002590400000000, 0.0001138200000000, 0.0011939000000000 ] - [ 0.0002280900000000, 0.0001674200000000, 0.0011939000000000 ] - [ 0.0000309400000000, -0.0002812400000000, 0.0011939000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000530000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003785300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024998800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000107200000000 ] - [ 0.0000475900000000, 0.0004383400000000, 0.0004139900000000 ] - [ -0.0004034000000000, -0.0001779600000000, 0.0004139900000000 ] - [ 0.0003558200000000, -0.0002603800000000, 0.0004139900000000 ] - [ -0.0005630600000000, 0.0000977000000000, 0.0000716500000000 ] - [ 0.0003661400000000, 0.0004387700000000, 0.0000716500000000 ] - [ 0.0001969200000000, -0.0005364700000000, 0.0000716500000000 ] - [ -0.0003355600000000, -0.0002673400000000, 0.0015183300000000 ] - [ 0.0003993100000000, -0.0001569400000000, 0.0015183300000000 ] - [ -0.0000637400000000, 0.0004242800000000, 0.0015183300000000 ] - [ -0.0003483300000000, 0.0028106100000000, -0.0081287800000000 ] - [ 0.0026082300000000, -0.0011036400000000, -0.0081287800000000 ] - [ -0.0022598900000000, -0.0017069700000000, -0.0081287800000000 ] - [ 0.0005222500000000, 0.0004786800000000, 0.0013446800000000 ] - [ -0.0006756800000000, 0.0002129400000000, 0.0013446800000000 ] - [ 0.0001534200000000, -0.0006916300000000, 0.0013446800000000 ] - [ -0.0005261700000000, 0.0004824200000000, 0.0013589000000000 ] - [ 0.0006808700000000, 0.0002144700000000, 0.0013589000000000 ] - [ -0.0001547000000000, -0.0006968900000000, 0.0013589000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003746800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003845700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000082700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000066700000000 ] - [ 0.0000491100000000, 0.0004385500000000, 0.0004093000000000 ] - [ -0.0004043500000000, -0.0001767400000000, 0.0004093000000000 ] - [ 0.0003552400000000, -0.0002618100000000, 0.0004093000000000 ] - [ -0.0000481100000000, 0.0004393500000000, 0.0004156200000000 ] - [ 0.0004045400000000, -0.0001780100000000, 0.0004156200000000 ] - [ -0.0003564300000000, -0.0002613400000000, 0.0004156200000000 ] - [ -0.0003569100000000, -0.0003001800000000, 0.0015338800000000 ] - [ 0.0004384200000000, -0.0001590000000000, 0.0015338800000000 ] - [ -0.0000815100000000, 0.0004591800000000, 0.0015338800000000 ] - [ 0.0003480000000000, -0.0002998100000000, 0.0015374600000000 ] - [ -0.0004336500000000, -0.0001514700000000, 0.0015374600000000 ] - [ 0.0000856400000000, 0.0004512800000000, 0.0015374600000000 ]- atom: 27 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003813600000000, 0.0000560500000000, -0.0004383700000000 ] - [ 0.0197567400000000, -0.0091389600000000, -0.0004318900000000 ] - [ 0.0023157800000000, 0.0003236700000000, 0.0075836800000000 ] - [ 0.0001751400000000, -0.0014879600000000, -0.0027868700000000 ] - [ -0.0019389600000000, 0.0019868500000000, -0.0036240700000000 ] - [ -0.0000108000000000, -0.0006317600000000, -0.0021157700000000 ] - [ -0.0009772700000000, -0.0004282100000000, -0.0048180800000000 ] - [ 0.0009696200000000, -0.0006578600000000, 0.0081308300000000 ] - [ 0.0002651200000000, 0.0004755000000000, -0.0004406500000000 ] - [ 0.0000002600000000, -0.0000012300000000, -0.0004394200000000 ] - [ 0.0000646800000000, -0.0005868500000000, 0.0004080600000000 ] - [ 0.0004797100000000, 0.0003496500000000, 0.0004070300000000 ] - [ -0.0005379800000000, 0.0002381500000000, 0.0004080800000000 ] - [ -0.0000574700000000, -0.0005851000000000, 0.0003893900000000 ] - [ -0.0004714300000000, 0.0003445700000000, 0.0004090500000000 ] - [ 0.0005355100000000, 0.0002395200000000, 0.0004037000000000 ] - [ 0.0000000800000000, -0.0000011400000000, -0.0004168500000000 ] - [ 0.0000008500000000, 0.0000012300000000, -0.0004399600000000 ] - [ 0.0000638800000000, -0.0005858700000000, 0.0004027100000000 ] - [ 0.0004777800000000, 0.0003421500000000, 0.0003767100000000 ] - [ -0.0005319400000000, 0.0002365000000000, 0.0004212200000000 ] - [ -0.0000644900000000, -0.0005860400000000, 0.0003777600000000 ] - [ -0.0004728600000000, 0.0003471500000000, 0.0003755200000000 ] - [ 0.0005396900000000, 0.0002353000000000, 0.0003770900000000 ] - [ -0.0000396500000000, 0.0000127700000000, -0.0000940000000000 ] - [ 0.0015278100000000, 0.0015501900000000, -0.0000255200000000 ] - [ -0.0142687000000000, 0.0001895700000000, -0.0005010100000000 ] - [ 0.0000170600000000, -0.0000397200000000, -0.0004579700000000 ] - [ -0.0000005400000000, -0.0000006000000000, -0.0000207900000000 ] - [ 0.0000006400000000, 0.0000004800000000, -0.0000626200000000 ] - [ 0.0000008100000000, 0.0000011400000000, -0.0004571900000000 ] - [ 0.0000171100000000, -0.0000402500000000, -0.0004677300000000 ] - [ 0.0000312200000000, 0.0000212900000000, -0.0000626200000000 ] - [ 0.0000005400000000, 0.0000000800000000, -0.0000931200000000 ] - [ 0.0000011100000000, 0.0000008600000000, -0.0004685600000000 ] - [ -0.0000002500000000, -0.0000010200000000, -0.0004742400000000 ] - [ -0.0001832600000000, -0.0003132200000000, -0.0014275700000000 ] - [ -0.0003792700000000, 0.0003888900000000, 0.0004767500000000 ] - [ 0.0000308700000000, -0.0005924900000000, 0.0004075400000000 ] - [ -0.0008396100000000, 0.0005134100000000, 0.0005963200000000 ] - [ -0.0008068900000000, 0.0007924600000000, 0.0002385500000000 ] - [ -0.0009416200000000, -0.0001615000000000, -0.0014894800000000 ] - [ 0.0009890700000000, -0.0000195500000000, -0.0000091600000000 ] - [ -0.0001877400000000, 0.0005839800000000, -0.0000091100000000 ] - [ -0.0004291300000000, -0.0004578800000000, -0.0004556200000000 ] - [ -0.0002078100000000, -0.0006953900000000, -0.0004635200000000 ] - [ -0.0001179600000000, 0.0006143100000000, 0.0005575600000000 ] - [ 0.0002923000000000, 0.0003358000000000, -0.0003212300000000 ] - [ 0.0007242200000000, -0.0005576100000000, -0.0000647700000000 ] - [ -0.0000283500000000, 0.0017433900000000, 0.0000491700000000 ] - [ -0.0009863500000000, 0.0001840400000000, 0.0000603900000000 ] - [ -0.0000237300000000, -0.0005579000000000, 0.0000435300000000 ] - [ 0.0003741800000000, 0.0005836100000000, -0.0006236900000000 ] - [ -0.0041092900000000, 0.0009562300000000, -0.0011692900000000 ] - [ -0.0009401000000000, 0.0046265600000000, 0.0025817300000000 ] - [ 0.0001294300000000, -0.0000824900000000, 0.0007791600000000 ] - [ 0.0002998300000000, -0.0000319300000000, -0.0006266000000000 ] - [ -0.0000890900000000, 0.0001144300000000, 0.0005055600000000 ] - [ 0.0002796800000000, 0.0000484500000000, -0.0001780300000000 ] - [ -0.0001810200000000, 0.0002169400000000, -0.0001777300000000 ] - [ -0.0000962100000000, -0.0002652400000000, -0.0001777900000000 ] - [ -0.0002792200000000, 0.0000451700000000, -0.0001961400000000 ] - [ 0.0001774300000000, 0.0002146700000000, -0.0002025800000000 ] - [ 0.0000985200000000, -0.0002648800000000, -0.0002009200000000 ] - [ 0.0000007000000000, 0.0000000400000000, -0.0000014900000000 ] - [ 0.0000009500000000, -0.0000013900000000, -0.0000075400000000 ] - [ 0.0000010300000000, 0.0000019000000000, -0.0004640800000000 ] - [ 0.0000007700000000, -0.0000006000000000, -0.0004563000000000 ] - [ 0.0000551000000000, 0.0003681900000000, 0.0000500200000000 ] - [ -0.0003456100000000, -0.0001356500000000, 0.0000498000000000 ] - [ 0.0002887100000000, -0.0002316500000000, 0.0000497400000000 ] - [ -0.0000567400000000, 0.0003661700000000, 0.0000479600000000 ] - [ 0.0003466600000000, -0.0001391700000000, 0.0000474400000000 ] - [ -0.0002930400000000, -0.0002327300000000, 0.0000469100000000 ] - [ -0.0000502100000000, 0.0000711400000000, 0.0002190000000000 ] - [ -0.0000342800000000, -0.0000796200000000, 0.0002189600000000 ] - [ 0.0000876300000000, 0.0000080700000000, 0.0002176000000000 ] - [ 0.0000232600000000, 0.0000070300000000, 0.0001858300000000 ] - [ 0.0000099600000000, -0.0001219300000000, 0.0002093100000000 ] - [ -0.0001343900000000, -0.0000375300000000, 0.0002404700000000 ] - [ 0.0002986700000000, 0.0000332800000000, -0.0001962300000000 ] - [ -0.0001876500000000, 0.0002187800000000, -0.0001774900000000 ] - [ -0.0000792600000000, -0.0002447400000000, -0.0002241900000000 ] - [ -0.0002808600000000, 0.0000482900000000, -0.0001776700000000 ] - [ 0.0001832100000000, 0.0002192400000000, -0.0001779900000000 ] - [ 0.0000996900000000, -0.0002675500000000, -0.0001776600000000 ] - [ 0.0000031400000000, 0.0000010500000000, -0.0000063700000000 ] - [ -0.0000061200000000, -0.0000004100000000, -0.0000022200000000 ] - [ 0.0000006600000000, 0.0000002600000000, -0.0004552100000000 ] - [ 0.0000027100000000, -0.0000016200000000, -0.0004648100000000 ] - [ 0.0000564500000000, 0.0003748500000000, 0.0000475900000000 ] - [ -0.0003410800000000, -0.0001372600000000, 0.0000462400000000 ] - [ 0.0002888100000000, -0.0002312300000000, 0.0000471200000000 ] - [ -0.0000549500000000, 0.0003697100000000, 0.0000520000000000 ] - [ 0.0003466400000000, -0.0001362000000000, 0.0000519100000000 ] - [ -0.0002923000000000, -0.0002320900000000, 0.0000518100000000 ] - [ -0.0000517100000000, 0.0000708900000000, 0.0002124200000000 ] - [ -0.0000339100000000, -0.0000817600000000, 0.0002085100000000 ] - [ 0.0000880400000000, 0.0000100500000000, 0.0002119900000000 ] - [ 0.0000495900000000, 0.0000656900000000, 0.0002129600000000 ] - [ 0.0000323400000000, -0.0000743200000000, 0.0002134300000000 ] - [ -0.0000788800000000, 0.0000104600000000, 0.0002137000000000 ]- atom: 27 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003833400000000, -0.0000555600000000, -0.0004382300000000 ] - [ -0.0197433200000000, 0.0089156600000000, -0.0004321000000000 ] - [ -0.0021871400000000, -0.0014893100000000, -0.0067559200000000 ] - [ 0.0007973500000000, 0.0021929700000000, 0.0035412800000000 ] - [ 0.0008759300000000, -0.0015170900000000, 0.0043855900000000 ] - [ -0.0001342600000000, -0.0005498300000000, 0.0029475900000000 ] - [ 0.0000249700000000, 0.0011309900000000, 0.0056442000000000 ] - [ 0.0001326800000000, 0.0011388500000000, -0.0073962800000000 ] - [ -0.0002672500000000, -0.0004715400000000, -0.0004402500000000 ] - [ -0.0000026900000000, 0.0000028000000000, -0.0004389700000000 ] - [ 0.0000637500000000, -0.0005879100000000, 0.0004080200000000 ] - [ 0.0004790600000000, 0.0003503800000000, 0.0004080300000000 ] - [ -0.0005407200000000, 0.0002385200000000, 0.0004080100000000 ] - [ -0.0000626900000000, -0.0005856900000000, 0.0004116200000000 ] - [ -0.0004764600000000, 0.0003409300000000, 0.0003934300000000 ] - [ 0.0005355200000000, 0.0002379600000000, 0.0003970500000000 ] - [ 0.0000004500000000, -0.0000006900000000, -0.0004164800000000 ] - [ -0.0000044200000000, -0.0000004000000000, -0.0004391400000000 ] - [ 0.0000593700000000, -0.0005811300000000, 0.0003966500000000 ] - [ 0.0004752000000000, 0.0003483100000000, 0.0004238200000000 ] - [ -0.0005364800000000, 0.0002414000000000, 0.0003803300000000 ] - [ -0.0000658400000000, -0.0005869900000000, 0.0003779900000000 ] - [ -0.0004757400000000, 0.0003486600000000, 0.0003777800000000 ] - [ 0.0005378900000000, 0.0002350500000000, 0.0003750600000000 ] - [ 0.0000390100000000, -0.0000128900000000, -0.0000935400000000 ] - [ -0.0015222200000000, -0.0015097400000000, -0.0000244200000000 ] - [ 0.0139759000000000, 0.0001897200000000, -0.0004962200000000 ] - [ -0.0000182300000000, 0.0000384700000000, -0.0004584500000000 ] - [ -0.0000010400000000, -0.0000003500000000, -0.0000208100000000 ] - [ -0.0000009000000000, 0.0000007300000000, -0.0000623200000000 ] - [ -0.0000005900000000, 0.0000006800000000, -0.0004580000000000 ] - [ -0.0000184900000000, 0.0000377600000000, -0.0004681900000000 ] - [ -0.0000311900000000, -0.0000206100000000, -0.0000618900000000 ] - [ -0.0000005800000000, -0.0000006100000000, -0.0000930700000000 ] - [ -0.0000005600000000, 0.0000012300000000, -0.0004692100000000 ] - [ -0.0000010300000000, -0.0000008800000000, -0.0004751800000000 ] - [ 0.0007425500000000, 0.0004057800000000, 0.0010596300000000 ] - [ 0.0000160800000000, 0.0000487800000000, -0.0008336000000000 ] - [ -0.0002292200000000, 0.0000602300000000, -0.0007650800000000 ] - [ 0.0002723200000000, -0.0003636300000000, -0.0009605500000000 ] - [ 0.0012453500000000, -0.0004685500000000, -0.0007135100000000 ] - [ 0.0009755400000000, -0.0004131200000000, 0.0010238900000000 ] - [ -0.0009925800000000, 0.0000308300000000, -0.0000085100000000 ] - [ 0.0001860000000000, -0.0005861700000000, -0.0000086800000000 ] - [ 0.0004331600000000, 0.0004584000000000, -0.0004565500000000 ] - [ 0.0002029700000000, 0.0006858700000000, -0.0004645900000000 ] - [ 0.0002121700000000, 0.0001214100000000, -0.0004471100000000 ] - [ -0.0009796600000000, -0.0006164700000000, 0.0004345000000000 ] - [ -0.0001474600000000, 0.0001076400000000, 0.0001834100000000 ] - [ -0.0000880200000000, -0.0010211600000000, 0.0000525800000000 ] - [ 0.0016783500000000, -0.0004547300000000, 0.0000432800000000 ] - [ -0.0005591900000000, 0.0000997000000000, 0.0000568600000000 ] - [ -0.0004522800000000, -0.0003470700000000, 0.0010662800000000 ] - [ 0.0039518600000000, -0.0012773800000000, 0.0016700400000000 ] - [ 0.0015364300000000, -0.0046426600000000, -0.0019517000000000 ] - [ -0.0000275600000000, 0.0002234700000000, -0.0003437000000000 ] - [ -0.0002339000000000, -0.0001268900000000, 0.0010708900000000 ] - [ -0.0000826300000000, -0.0000991800000000, -0.0000703600000000 ] - [ 0.0002780000000000, 0.0000469100000000, -0.0001777300000000 ] - [ -0.0001808700000000, 0.0002172200000000, -0.0001770600000000 ] - [ -0.0000983900000000, -0.0002640600000000, -0.0001775000000000 ] - [ -0.0002755500000000, 0.0000457200000000, -0.0002025000000000 ] - [ 0.0001789400000000, 0.0002189300000000, -0.0001968100000000 ] - [ 0.0001007200000000, -0.0002609500000000, -0.0001984900000000 ] - [ 0.0000001600000000, 0.0000061700000000, -0.0000015200000000 ] - [ -0.0000040400000000, -0.0000014900000000, -0.0000075800000000 ] - [ -0.0000004700000000, -0.0000017400000000, -0.0004650000000000 ] - [ -0.0000006200000000, -0.0000005000000000, -0.0004567700000000 ] - [ 0.0000542100000000, 0.0003673100000000, 0.0000497400000000 ] - [ -0.0003462000000000, -0.0001351400000000, 0.0000495200000000 ] - [ 0.0002865400000000, -0.0002314100000000, 0.0000493900000000 ] - [ -0.0000534400000000, 0.0003708800000000, 0.0000465500000000 ] - [ 0.0003451400000000, -0.0001321000000000, 0.0000464800000000 ] - [ -0.0002917900000000, -0.0002304100000000, 0.0000474700000000 ] - [ -0.0000517700000000, 0.0000688900000000, 0.0002178000000000 ] - [ -0.0000337600000000, -0.0000798200000000, 0.0002186200000000 ] - [ 0.0000853800000000, 0.0000097900000000, 0.0002181100000000 ] - [ 0.0000849100000000, 0.0001312800000000, 0.0002374900000000 ] - [ 0.0000572700000000, -0.0000400600000000, 0.0002140900000000 ] - [ -0.0000386700000000, 0.0000595900000000, 0.0001830200000000 ] - [ 0.0002565200000000, 0.0000573300000000, -0.0002010600000000 ] - [ -0.0001701200000000, 0.0002159100000000, -0.0002207600000000 ] - [ -0.0001186100000000, -0.0002813200000000, -0.0001737000000000 ] - [ -0.0002812600000000, 0.0000469300000000, -0.0001777600000000 ] - [ 0.0001803800000000, 0.0002195900000000, -0.0001779100000000 ] - [ 0.0000995400000000, -0.0002663500000000, -0.0001772000000000 ] - [ 0.0000021700000000, 0.0000011100000000, -0.0000064000000000 ] - [ 0.0000030800000000, -0.0000011100000000, -0.0000019100000000 ] - [ -0.0000006600000000, 0.0000002800000000, -0.0004557700000000 ] - [ -0.0000034800000000, -0.0000000300000000, -0.0004655200000000 ] - [ 0.0000514200000000, 0.0003626400000000, 0.0000463100000000 ] - [ -0.0003506100000000, -0.0001349200000000, 0.0000478700000000 ] - [ 0.0002912600000000, -0.0002326200000000, 0.0000460200000000 ] - [ -0.0000565800000000, 0.0003689300000000, 0.0000516000000000 ] - [ 0.0003448000000000, -0.0001354400000000, 0.0000515100000000 ] - [ -0.0002925000000000, -0.0002321000000000, 0.0000515100000000 ] - [ -0.0000532000000000, 0.0000692500000000, 0.0002089000000000 ] - [ -0.0000320600000000, -0.0000810100000000, 0.0002138800000000 ] - [ 0.0000865600000000, 0.0000122500000000, 0.0002091900000000 ] - [ 0.0000492900000000, 0.0000635900000000, 0.0002126400000000 ] - [ 0.0000286700000000, -0.0000742000000000, 0.0002130500000000 ] - [ -0.0000791900000000, 0.0000113500000000, 0.0002130400000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0021565400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0273047700000000 ] - [ 0.0029406300000000, -0.0006806000000000, 0.0009889300000000 ] - [ -0.0008809000000000, 0.0028869600000000, 0.0009889300000000 ] - [ -0.0020597400000000, -0.0022063600000000, 0.0009889300000000 ] - [ -0.0017782500000000, -0.0033788100000000, 0.0055419800000000 ] - [ -0.0020370100000000, 0.0032294100000000, 0.0055419800000000 ] - [ 0.0038152600000000, 0.0001494000000000, 0.0055419800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023039800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021414700000000 ] - [ 0.0001895900000000, -0.0004399200000000, 0.0025555900000000 ] - [ 0.0002861800000000, 0.0003841500000000, 0.0025555900000000 ] - [ -0.0004757700000000, 0.0000557700000000, 0.0025555900000000 ] - [ -0.0001828100000000, -0.0004415200000000, 0.0025469500000000 ] - [ -0.0002909600000000, 0.0003790800000000, 0.0025469500000000 ] - [ 0.0004737800000000, 0.0000624400000000, 0.0025469500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021590500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021341700000000 ] - [ 0.0001854400000000, -0.0004341300000000, 0.0025498000000000 ] - [ 0.0002832500000000, 0.0003776600000000, 0.0025498000000000 ] - [ -0.0004686800000000, 0.0000564700000000, 0.0025498000000000 ] - [ -0.0001910000000000, -0.0004381000000000, 0.0025233500000000 ] - [ -0.0002839000000000, 0.0003844600000000, 0.0025233500000000 ] - [ 0.0004749000000000, 0.0000536300000000, 0.0025233500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004445400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0043071000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0113082400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000090800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004352200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003958600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000232500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000212900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004337200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003618300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000328400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000362100000000 ] - [ 0.0000722500000000, -0.0003162200000000, -0.0014226400000000 ] - [ 0.0002377300000000, 0.0002206800000000, -0.0014226400000000 ] - [ -0.0003099800000000, 0.0000955400000000, -0.0014226400000000 ] - [ -0.0002608100000000, 0.0047991700000000, 0.0037936200000000 ] - [ 0.0042866100000000, -0.0021737100000000, 0.0037936200000000 ] - [ -0.0040257900000000, -0.0026254600000000, 0.0037936200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014866400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003051100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010230400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005832100000000 ] - [ 0.0002610000000000, 0.0001878500000000, -0.0002155800000000 ] - [ -0.0002931800000000, 0.0001321000000000, -0.0002155800000000 ] - [ 0.0000321800000000, -0.0003199500000000, -0.0002155800000000 ] - [ -0.0002764700000000, 0.0005940200000000, -0.0004676200000000 ] - [ 0.0006526800000000, -0.0000575800000000, -0.0004676200000000 ] - [ -0.0003762000000000, -0.0005364400000000, -0.0004676200000000 ] - [ -0.0019736100000000, -0.0038857700000000, 0.0068179800000000 ] - [ 0.0043519700000000, 0.0002336900000000, 0.0068179800000000 ] - [ -0.0023783700000000, 0.0036520800000000, 0.0068179800000000 ] - [ -0.0001901800000000, 0.0003790100000000, -0.0010789400000000 ] - [ 0.0004233200000000, -0.0000248000000000, -0.0010789400000000 ] - [ -0.0002331400000000, -0.0003542100000000, -0.0010789400000000 ] - [ 0.0000490600000000, -0.0003578900000000, -0.0016363400000000 ] - [ 0.0002854100000000, 0.0002214300000000, -0.0016363400000000 ] - [ -0.0003344700000000, 0.0001364600000000, -0.0016363400000000 ] - [ -0.0000478300000000, -0.0003593400000000, -0.0016561200000000 ] - [ -0.0002872800000000, 0.0002211000000000, -0.0016561200000000 ] - [ 0.0003351200000000, 0.0001382500000000, -0.0016561200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003604200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003661900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008972400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008852300000000 ] - [ 0.0000609100000000, 0.0003038300000000, -0.0002865400000000 ] - [ -0.0002935800000000, -0.0000991700000000, -0.0002865400000000 ] - [ 0.0002326700000000, -0.0002046600000000, -0.0002865400000000 ] - [ -0.0000588100000000, 0.0003008000000000, -0.0002890000000000 ] - [ 0.0002899000000000, -0.0000994700000000, -0.0002890000000000 ] - [ -0.0002311000000000, -0.0002013300000000, -0.0002890000000000 ] - [ 0.0002430700000000, 0.0004345800000000, -0.0010335900000000 ] - [ -0.0004978900000000, -0.0000067800000000, -0.0010335900000000 ] - [ 0.0002548200000000, -0.0004278000000000, -0.0010335900000000 ] - [ -0.0002037600000000, 0.0004237500000000, -0.0010519400000000 ] - [ 0.0004688500000000, -0.0000354200000000, -0.0010519400000000 ] - [ -0.0002651000000000, -0.0003883300000000, -0.0010519400000000 ] - [ 0.0000484100000000, -0.0003551200000000, -0.0016546800000000 ] - [ 0.0002833400000000, 0.0002194900000000, -0.0016546800000000 ] - [ -0.0003317500000000, 0.0001356300000000, -0.0016546800000000 ] - [ -0.0000512200000000, -0.0003589600000000, -0.0016358400000000 ] - [ -0.0002852700000000, 0.0002238400000000, -0.0016358400000000 ] - [ 0.0003364800000000, 0.0001351300000000, -0.0016358400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003672000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003615400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008839600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008984000000000 ] - [ 0.0000597500000000, 0.0003054500000000, -0.0002901000000000 ] - [ -0.0002944100000000, -0.0001009800000000, -0.0002901000000000 ] - [ 0.0002346600000000, -0.0002044700000000, -0.0002901000000000 ] - [ -0.0000597700000000, 0.0003058800000000, -0.0002840500000000 ] - [ 0.0002947800000000, -0.0001011800000000, -0.0002840500000000 ] - [ -0.0002350100000000, -0.0002047000000000, -0.0002840500000000 ] - [ 0.0002397300000000, 0.0004330800000000, -0.0010385700000000 ] - [ -0.0004949300000000, -0.0000089300000000, -0.0010385700000000 ] - [ 0.0002551900000000, -0.0004241600000000, -0.0010385700000000 ] - [ -0.0002453300000000, 0.0004288400000000, -0.0010373400000000 ] - [ 0.0004940500000000, -0.0000019600000000, -0.0010373400000000 ] - [ -0.0002487200000000, -0.0004268800000000, -0.0010373400000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0030172600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0265361200000000 ] - [ -0.0027793300000000, -0.0005037100000000, -0.0002565400000000 ] - [ 0.0018258900000000, -0.0021551200000000, -0.0002565400000000 ] - [ 0.0009534400000000, 0.0026588300000000, -0.0002565400000000 ] - [ 0.0016861400000000, 0.0022697900000000, -0.0047409600000000 ] - [ 0.0011226300000000, -0.0025951300000000, -0.0047409600000000 ] - [ -0.0028087600000000, 0.0003253400000000, -0.0047409600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031663500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030053000000000 ] - [ -0.0000646800000000, -0.0007401300000000, -0.0017363600000000 ] - [ 0.0006733100000000, 0.0003140500000000, -0.0017363600000000 ] - [ -0.0006086300000000, 0.0004260800000000, -0.0017363600000000 ] - [ 0.0000664000000000, -0.0007327700000000, -0.0017380900000000 ] - [ -0.0006678000000000, 0.0003088800000000, -0.0017380900000000 ] - [ 0.0006014000000000, 0.0004238900000000, -0.0017380900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029812300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030019300000000 ] - [ -0.0000667900000000, -0.0007361800000000, -0.0017432700000000 ] - [ 0.0006709400000000, 0.0003102500000000, -0.0017432700000000 ] - [ -0.0006041500000000, 0.0004259300000000, -0.0017432700000000 ] - [ 0.0000618100000000, -0.0007343300000000, -0.0017658300000000 ] - [ -0.0006668500000000, 0.0003136400000000, -0.0017658300000000 ] - [ 0.0006050400000000, 0.0004206900000000, -0.0017658300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006497700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042599900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0105486200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009185600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005086900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005491000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009090900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009277000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005789100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005775500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009208000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009308800000000 ] - [ 0.0004916300000000, 0.0004168600000000, 0.0010643500000000 ] - [ -0.0006068300000000, 0.0002173300000000, 0.0010643500000000 ] - [ 0.0001152000000000, -0.0006341900000000, 0.0010643500000000 ] - [ -0.0002815300000000, -0.0046438200000000, -0.0042255800000000 ] - [ -0.0038809000000000, 0.0025657200000000, -0.0042255800000000 ] - [ 0.0041624300000000, 0.0020780900000000, -0.0042255800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014457600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003074000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001179300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014658100000000 ] - [ -0.0001693800000000, 0.0005497900000000, 0.0003523300000000 ] - [ -0.0003914400000000, -0.0004215800000000, 0.0003523300000000 ] - [ 0.0005608200000000, -0.0001282100000000, 0.0003523300000000 ] - [ 0.0001756200000000, 0.0001388400000000, 0.0005752100000000 ] - [ 0.0000324200000000, -0.0002215100000000, 0.0005752100000000 ] - [ -0.0002080500000000, 0.0000826800000000, 0.0005752100000000 ] - [ 0.0018610900000000, 0.0041146500000000, -0.0063710400000000 ] - [ -0.0044939400000000, -0.0004455700000000, -0.0063710400000000 ] - [ 0.0026328400000000, -0.0036690800000000, -0.0063710400000000 ] - [ 0.0002769500000000, -0.0002140800000000, 0.0015068800000000 ] - [ -0.0003238700000000, -0.0001328100000000, 0.0015068800000000 ] - [ 0.0000469200000000, 0.0003468900000000, 0.0015068800000000 ] - [ 0.0005139800000000, 0.0004691400000000, 0.0012816500000000 ] - [ -0.0006632800000000, 0.0002105500000000, 0.0012816500000000 ] - [ 0.0001493000000000, -0.0006796900000000, 0.0012816500000000 ] - [ -0.0005113600000000, 0.0004608800000000, 0.0012582300000000 ] - [ 0.0006548100000000, 0.0002124100000000, 0.0012582300000000 ] - [ -0.0001434500000000, -0.0006732900000000, 0.0012582300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003612000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003499200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000252200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000166200000000 ] - [ 0.0000489800000000, 0.0004337900000000, 0.0003934500000000 ] - [ -0.0004001600000000, -0.0001744800000000, 0.0003934500000000 ] - [ 0.0003511800000000, -0.0002593100000000, 0.0003934500000000 ] - [ -0.0000493200000000, 0.0004394800000000, 0.0003916400000000 ] - [ 0.0004052600000000, -0.0001770300000000, 0.0003916400000000 ] - [ -0.0003559500000000, -0.0002624500000000, 0.0003916400000000 ] - [ -0.0003333200000000, -0.0002743800000000, 0.0014649200000000 ] - [ 0.0004042800000000, -0.0001514800000000, 0.0014649200000000 ] - [ -0.0000709600000000, 0.0004258600000000, 0.0014649200000000 ] - [ 0.0003031500000000, -0.0002701800000000, 0.0014677400000000 ] - [ -0.0003855600000000, -0.0001274400000000, 0.0014677400000000 ] - [ 0.0000824100000000, 0.0003976200000000, 0.0014677400000000 ] - [ 0.0005096200000000, 0.0004558500000000, 0.0012465300000000 ] - [ -0.0006495900000000, 0.0002134200000000, 0.0012465300000000 ] - [ 0.0001399600000000, -0.0006692700000000, 0.0012465300000000 ] - [ -0.0005155400000000, 0.0004674000000000, 0.0012701200000000 ] - [ 0.0006625500000000, 0.0002127700000000, 0.0012701200000000 ] - [ -0.0001470100000000, -0.0006801700000000, 0.0012701200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003469900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003523600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000119700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000201300000000 ] - [ 0.0000467800000000, 0.0004368700000000, 0.0003904000000000 ] - [ -0.0004017300000000, -0.0001779200000000, 0.0003904000000000 ] - [ 0.0003549500000000, -0.0002589500000000, 0.0003904000000000 ] - [ -0.0000470000000000, 0.0004370300000000, 0.0003946800000000 ] - [ 0.0004019800000000, -0.0001778100000000, 0.0003946800000000 ] - [ -0.0003549800000000, -0.0002592200000000, 0.0003946800000000 ] - [ -0.0003298400000000, -0.0002641800000000, 0.0014511700000000 ] - [ 0.0003937100000000, -0.0001535600000000, 0.0014511700000000 ] - [ -0.0000638700000000, 0.0004177400000000, 0.0014511700000000 ] - [ 0.0003264900000000, -0.0002724900000000, 0.0014588300000000 ] - [ -0.0003992300000000, -0.0001465000000000, 0.0014588300000000 ] - [ 0.0000727400000000, 0.0004190000000000, 0.0014588300000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000120700000000, 0.0000290400000000, -0.0017533900000000 ] - [ 0.0019124900000000, -0.0026075200000000, -0.0015227200000000 ] - [ 0.0121911400000000, 0.0015318200000000, 0.0087562400000000 ] - [ -0.0073862500000000, -0.0017743000000000, 0.0110317400000000 ] - [ -0.0033650000000000, 0.0038773100000000, 0.0043450500000000 ] - [ 0.0000002200000000, -0.0006662200000000, -0.0005086300000000 ] - [ -0.0006361300000000, 0.0003165500000000, -0.0010144200000000 ] - [ 0.0005469200000000, 0.0003066300000000, -0.0006318200000000 ] - [ 0.0060102300000000, -0.0044652300000000, 0.0062987200000000 ] - [ -0.0003293700000000, -0.0000724700000000, -0.0017310900000000 ] - [ -0.0000033500000000, -0.0006706700000000, -0.0007060000000000 ] - [ 0.0005822100000000, 0.0003328300000000, -0.0006884800000000 ] - [ -0.0005770500000000, 0.0003376600000000, -0.0006809100000000 ] - [ 0.0004147900000000, -0.0009643700000000, -0.0013219700000000 ] - [ -0.0014462200000000, 0.0004760900000000, -0.0034819200000000 ] - [ 0.0003783200000000, 0.0002784100000000, 0.0019189600000000 ] - [ -0.0000001400000000, -0.0000035300000000, -0.0017310200000000 ] - [ -0.0000017400000000, 0.0000015800000000, -0.0017537700000000 ] - [ -0.0000063600000000, -0.0006636700000000, -0.0007018100000000 ] - [ 0.0005799000000000, 0.0003262600000000, -0.0007002000000000 ] - [ -0.0005690300000000, 0.0003371800000000, -0.0006971500000000 ] - [ 0.0000028100000000, -0.0006684000000000, -0.0007211100000000 ] - [ -0.0005788300000000, 0.0003299900000000, -0.0007207600000000 ] - [ 0.0005767300000000, 0.0003346900000000, -0.0007207900000000 ] - [ -0.0020292100000000, -0.0003175100000000, 0.0037934200000000 ] - [ 0.0000994700000000, 0.0001433200000000, -0.0000065800000000 ] - [ -0.0004672200000000, -0.0000155500000000, -0.0006850400000000 ] - [ -0.0000029900000000, -0.0000029900000000, -0.0006909100000000 ] - [ -0.0000008500000000, 0.0000004000000000, -0.0002700900000000 ] - [ -0.0000002000000000, 0.0000189700000000, -0.0003181600000000 ] - [ 0.0000211100000000, -0.0000174700000000, -0.0006882900000000 ] - [ -0.0005599500000000, 0.0003713600000000, -0.0004859700000000 ] - [ 0.0000021400000000, -0.0000009700000000, -0.0003122400000000 ] - [ 0.0000004000000000, 0.0000003100000000, -0.0003422800000000 ] - [ 0.0000013700000000, 0.0000016200000000, -0.0007004100000000 ] - [ 0.0000001400000000, -0.0000002000000000, -0.0007052900000000 ] - [ -0.0414719200000000, -0.0080733300000000, -0.0335803800000000 ] - [ 0.0115832500000000, 0.0079689400000000, -0.0090681000000000 ] - [ -0.0014064500000000, -0.0004466300000000, -0.0040832600000000 ] - [ -0.0003963100000000, 0.0002416400000000, 0.0003500200000000 ] - [ 0.0006007600000000, 0.0005257100000000, 0.0010699600000000 ] - [ -0.0001123800000000, -0.0004143300000000, 0.0004494900000000 ] - [ 0.0000340600000000, -0.0000453100000000, 0.0001773200000000 ] - [ -0.0002194500000000, -0.0005080900000000, -0.0041756000000000 ] - [ -0.0000298800000000, 0.0000107200000000, -0.0002171700000000 ] - [ -0.0004854900000000, 0.0007135400000000, -0.0021283800000000 ] - [ 0.0056821000000000, -0.0004473200000000, -0.0060143200000000 ] - [ 0.0030842300000000, 0.0041654700000000, 0.0046896900000000 ] - [ 0.0117680600000000, -0.0093929300000000, 0.0098745700000000 ] - [ -0.0000677100000000, 0.0004871700000000, 0.0002378800000000 ] - [ 0.0003797200000000, -0.0001912600000000, 0.0002245600000000 ] - [ -0.0002714800000000, -0.0002132400000000, 0.0002165100000000 ] - [ 0.0007025700000000, 0.0004748900000000, -0.0008638600000000 ] - [ -0.0006855900000000, -0.0002607700000000, -0.0009188300000000 ] - [ 0.0005357200000000, 0.0026709500000000, 0.0074196400000000 ] - [ 0.0002021000000000, -0.0001076300000000, 0.0009070900000000 ] - [ -0.0001760800000000, -0.0001146300000000, 0.0008397100000000 ] - [ -0.0000137600000000, 0.0002086600000000, 0.0008352800000000 ] - [ 0.0004000000000000, 0.0002608800000000, 0.0005740500000000 ] - [ -0.0004214400000000, 0.0002146400000000, 0.0005700900000000 ] - [ 0.0000281000000000, -0.0004719400000000, 0.0005678800000000 ] - [ -0.0003914700000000, 0.0003178600000000, 0.0005035000000000 ] - [ 0.0007908400000000, 0.0004126300000000, 0.0013161800000000 ] - [ -0.0000160800000000, -0.0003590700000000, -0.0001256100000000 ] - [ -0.0004677100000000, 0.0002133500000000, 0.0000050100000000 ] - [ 0.0000011600000000, -0.0000032900000000, 0.0001825800000000 ] - [ 0.0003962000000000, 0.0000587000000000, -0.0004807900000000 ] - [ 0.0000001100000000, 0.0000007000000000, -0.0002316400000000 ] - [ 0.0000548400000000, 0.0004016000000000, 0.0002275500000000 ] - [ -0.0003737200000000, -0.0001548700000000, 0.0002276100000000 ] - [ 0.0003203400000000, -0.0002433000000000, 0.0002268900000000 ] - [ -0.0000881800000000, -0.0002789200000000, 0.0000225300000000 ] - [ 0.0007140900000000, -0.0000041800000000, 0.0003526100000000 ] - [ -0.0004494000000000, -0.0000638600000000, 0.0004195300000000 ] - [ -0.0001682800000000, -0.0000971600000000, 0.0008505100000000 ] - [ 0.0002424500000000, -0.0000763500000000, 0.0008455500000000 ] - [ 0.0000439100000000, 0.0002487600000000, 0.0008913000000000 ] - [ 0.0036872600000000, 0.0013404800000000, 0.0105198700000000 ] - [ -0.0050114800000000, -0.0043102600000000, -0.0041497500000000 ] - [ 0.0061144800000000, 0.0088978900000000, 0.0015537900000000 ] - [ 0.0004003400000000, 0.0002587000000000, 0.0005521900000000 ] - [ -0.0004239900000000, 0.0002123700000000, 0.0005483500000000 ] - [ 0.0000263900000000, -0.0004731400000000, 0.0005449000000000 ] - [ -0.0004005800000000, 0.0002610700000000, 0.0005733500000000 ] - [ 0.0004265500000000, 0.0002165400000000, 0.0005727900000000 ] - [ -0.0000245800000000, -0.0004775700000000, 0.0005730400000000 ] - [ 0.0000021300000000, 0.0000007700000000, 0.0001827900000000 ] - [ -0.0000014300000000, 0.0000005800000000, 0.0001845500000000 ] - [ 0.0000011100000000, 0.0000006000000000, -0.0002316500000000 ] - [ -0.0000010800000000, -0.0000017900000000, -0.0002404000000000 ] - [ 0.0000502800000000, 0.0004031700000000, 0.0002236000000000 ] - [ -0.0003734600000000, -0.0001553100000000, 0.0002235400000000 ] - [ 0.0003240500000000, -0.0002475900000000, 0.0002231100000000 ] - [ -0.0000531400000000, 0.0004040500000000, 0.0002293500000000 ] - [ 0.0003762600000000, -0.0001561600000000, 0.0002290600000000 ] - [ -0.0003247600000000, -0.0002465500000000, 0.0002286700000000 ] - [ -0.0001976400000000, -0.0001062300000000, 0.0008511500000000 ] - [ 0.0001930100000000, -0.0001193200000000, 0.0008526000000000 ] - [ 0.0000076100000000, 0.0002253800000000, 0.0008532800000000 ] - [ 0.0001965100000000, -0.0001135700000000, 0.0008538900000000 ] - [ -0.0001972100000000, -0.0001124300000000, 0.0008549400000000 ] - [ 0.0000031200000000, 0.0002290600000000, 0.0008548800000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000115200000000, -0.0000289900000000, 0.0008832900000000 ] - [ -0.0018757000000000, 0.0025164100000000, 0.0006878500000000 ] - [ -0.0117358500000000, -0.0025789100000000, -0.0072004300000000 ] - [ 0.0083534400000000, 0.0024424900000000, -0.0101268300000000 ] - [ 0.0023064900000000, -0.0033599500000000, -0.0034877800000000 ] - [ -0.0001234700000000, -0.0005194600000000, 0.0013301000000000 ] - [ -0.0003219100000000, 0.0003777900000000, 0.0018327100000000 ] - [ 0.0005391300000000, 0.0001763900000000, 0.0014485900000000 ] - [ -0.0062036300000000, 0.0044883500000000, -0.0071215100000000 ] - [ 0.0003235700000000, 0.0000793200000000, 0.0008580800000000 ] - [ 0.0001272700000000, -0.0005105400000000, 0.0015230900000000 ] - [ 0.0003854900000000, 0.0003661500000000, 0.0015038900000000 ] - [ -0.0005050800000000, 0.0001470600000000, 0.0014980500000000 ] - [ -0.0005364000000000, -0.0002081300000000, 0.0021730600000000 ] - [ 0.0004859600000000, 0.0001977500000000, 0.0042815300000000 ] - [ 0.0007011400000000, 0.0002133300000000, -0.0011464500000000 ] - [ 0.0000003100000000, 0.0000012000000000, 0.0009046300000000 ] - [ -0.0000018200000000, 0.0000011600000000, 0.0008824300000000 ] - [ 0.0001232200000000, -0.0005080400000000, 0.0015018700000000 ] - [ 0.0003807300000000, 0.0003612700000000, 0.0015010300000000 ] - [ -0.0004998100000000, 0.0001480100000000, 0.0014989500000000 ] - [ -0.0001281200000000, -0.0005110800000000, 0.0014771200000000 ] - [ -0.0003783600000000, 0.0003647700000000, 0.0014780000000000 ] - [ 0.0005046000000000, 0.0001431900000000, 0.0014774600000000 ] - [ 0.0020048100000000, 0.0003345500000000, -0.0040428200000000 ] - [ -0.0000957500000000, -0.0001334900000000, -0.0000521600000000 ] - [ 0.0004599700000000, 0.0000175600000000, -0.0002674500000000 ] - [ 0.0000016600000000, 0.0000011200000000, -0.0002337600000000 ] - [ -0.0000006500000000, 0.0000003800000000, 0.0002088700000000 ] - [ 0.0000002000000000, -0.0000181400000000, 0.0001719300000000 ] - [ -0.0000198900000000, 0.0000190500000000, -0.0002361800000000 ] - [ 0.0005521900000000, -0.0003468800000000, -0.0004714900000000 ] - [ -0.0000038100000000, 0.0000008400000000, 0.0001692800000000 ] - [ 0.0000001000000000, 0.0000001400000000, 0.0001356900000000 ] - [ 0.0000007900000000, 0.0000015400000000, -0.0002465500000000 ] - [ 0.0000000200000000, -0.0000003200000000, -0.0002521300000000 ] - [ 0.0417064600000000, 0.0078174200000000, 0.0324676600000000 ] - [ -0.0117844700000000, -0.0073683200000000, 0.0085694000000000 ] - [ 0.0012202300000000, -0.0001180800000000, 0.0036328000000000 ] - [ -0.0001683800000000, -0.0001253900000000, -0.0007160800000000 ] - [ -0.0002197600000000, -0.0000889600000000, -0.0014354800000000 ] - [ 0.0002910300000000, -0.0001290000000000, -0.0008112200000000 ] - [ -0.0000301700000000, 0.0000506200000000, -0.0001956600000000 ] - [ 0.0001871100000000, 0.0006147700000000, 0.0041643300000000 ] - [ 0.0000303300000000, -0.0000131300000000, -0.0006791400000000 ] - [ 0.0004433800000000, -0.0007764900000000, 0.0012310800000000 ] - [ -0.0055210900000000, 0.0011650900000000, 0.0060254100000000 ] - [ -0.0037559200000000, -0.0044504100000000, -0.0046456500000000 ] - [ -0.0111964500000000, 0.0089775500000000, -0.0099002700000000 ] - [ -0.0000392000000000, 0.0002588700000000, -0.0001351100000000 ] - [ 0.0003120900000000, -0.0000853900000000, -0.0001222200000000 ] - [ -0.0003201500000000, -0.0002496500000000, -0.0001128700000000 ] - [ -0.0007758300000000, -0.0002915100000000, 0.0012378200000000 ] - [ 0.0005689500000000, 0.0001093300000000, 0.0013082400000000 ] - [ -0.0004347200000000, -0.0026060100000000, -0.0068006500000000 ] - [ -0.0001121800000000, 0.0002773800000000, -0.0004678800000000 ] - [ 0.0002752600000000, -0.0000459000000000, -0.0004021200000000 ] - [ -0.0001761200000000, -0.0002182500000000, -0.0003955500000000 ] - [ 0.0001649700000000, -0.0001475100000000, -0.0009339900000000 ] - [ 0.0000414500000000, 0.0002169500000000, -0.0009292500000000 ] - [ -0.0002118300000000, -0.0000727100000000, -0.0009283100000000 ] - [ -0.0001667700000000, -0.0002151600000000, -0.0009165200000000 ] - [ -0.0004123300000000, 0.0000228800000000, -0.0017104000000000 ] - [ 0.0002054400000000, -0.0001826200000000, -0.0002713200000000 ] - [ 0.0004718000000000, -0.0002039600000000, -0.0000104600000000 ] - [ -0.0000033800000000, -0.0000005000000000, -0.0001952200000000 ] - [ -0.0003920900000000, -0.0000695900000000, -0.0004406300000000 ] - [ -0.0000000200000000, -0.0000011300000000, -0.0006673900000000 ] - [ 0.0000520200000000, 0.0003418300000000, -0.0001218200000000 ] - [ -0.0003237400000000, -0.0001223500000000, -0.0001219400000000 ] - [ 0.0002650700000000, -0.0002204100000000, -0.0001218500000000 ] - [ -0.0000182700000000, 0.0010309300000000, 0.0000817600000000 ] - [ -0.0000206600000000, -0.0002706500000000, -0.0002532300000000 ] - [ -0.0001486300000000, -0.0004057500000000, -0.0003232500000000 ] - [ 0.0000784900000000, 0.0002615800000000, -0.0004110100000000 ] - [ -0.0003371000000000, -0.0000857200000000, -0.0004042200000000 ] - [ 0.0001456700000000, -0.0002539600000000, -0.0004522200000000 ] - [ -0.0035601100000000, -0.0011807000000000, -0.0099875200000000 ] - [ 0.0051533300000000, 0.0041994900000000, 0.0046386100000000 ] - [ -0.0063095700000000, -0.0090242200000000, -0.0011971400000000 ] - [ 0.0001625200000000, -0.0001517400000000, -0.0009550700000000 ] - [ 0.0000488900000000, 0.0002211000000000, -0.0009535100000000 ] - [ -0.0002134800000000, -0.0000671500000000, -0.0009499100000000 ] - [ -0.0001700200000000, -0.0001479400000000, -0.0009330000000000 ] - [ -0.0000436100000000, 0.0002201600000000, -0.0009326400000000 ] - [ 0.0002128700000000, -0.0000729100000000, -0.0009323600000000 ] - [ 0.0000020900000000, 0.0000007200000000, -0.0001988600000000 ] - [ -0.0000013500000000, -0.0000010300000000, -0.0001921100000000 ] - [ 0.0000006100000000, 0.0000003400000000, -0.0006649800000000 ] - [ -0.0000009000000000, -0.0000008700000000, -0.0006753700000000 ] - [ 0.0000535900000000, 0.0003409100000000, -0.0001231200000000 ] - [ -0.0003232800000000, -0.0001227000000000, -0.0001230600000000 ] - [ 0.0002672100000000, -0.0002179400000000, -0.0001236000000000 ] - [ -0.0000557300000000, 0.0003421400000000, -0.0001193900000000 ] - [ 0.0003227500000000, -0.0001230800000000, -0.0001198700000000 ] - [ -0.0002702000000000, -0.0002173000000000, -0.0001205400000000 ] - [ 0.0001069000000000, 0.0002745400000000, -0.0004297700000000 ] - [ -0.0002904600000000, -0.0000453600000000, -0.0004283600000000 ] - [ 0.0001848800000000, -0.0002304400000000, -0.0004298100000000 ] - [ -0.0001112900000000, 0.0002697800000000, -0.0004264700000000 ] - [ 0.0002880800000000, -0.0000390100000000, -0.0004244900000000 ] - [ -0.0001765600000000, -0.0002293500000000, -0.0004251700000000 ]- atom: 37 displacement: [ -0.0050000000082145, 0.0086602540331018, 0.0000000000000000 ] forces: - [ -0.0000113200000000, -0.0000168600000000, -0.0018009800000000 ] - [ 0.0004062600000000, -0.0010246100000000, -0.0023735100000000 ] - [ -0.0027492900000000, 0.0056723600000000, 0.0048789000000000 ] - [ -0.0003647800000000, -0.0045295200000000, 0.0031549400000000 ] - [ 0.0037244700000000, -0.0057227600000000, 0.0094948000000000 ] - [ 0.0000033800000000, -0.0007067200000000, -0.0008114200000000 ] - [ -0.0005673200000000, 0.0003184400000000, -0.0007078300000000 ] - [ 0.0005663200000000, 0.0003288000000000, -0.0006387300000000 ] - [ -0.0066937700000000, 0.0055441900000000, 0.0144856500000000 ] - [ 0.0002850100000000, 0.0001095200000000, -0.0017915300000000 ] - [ -0.0000036700000000, -0.0006711600000000, -0.0007280200000000 ] - [ 0.0005869700000000, 0.0003307800000000, -0.0007268300000000 ] - [ -0.0005765200000000, 0.0003416400000000, -0.0007418200000000 ] - [ -0.0003971400000000, -0.0009711500000000, -0.0026213100000000 ] - [ 0.0001420100000000, 0.0000955300000000, 0.0019149000000000 ] - [ 0.0007772700000000, 0.0004917100000000, -0.0030699000000000 ] - [ -0.0000009700000000, -0.0000000800000000, -0.0017789300000000 ] - [ -0.0000020500000000, 0.0000015700000000, -0.0018017400000000 ] - [ -0.0000094300000000, -0.0006663800000000, -0.0007396400000000 ] - [ 0.0005837700000000, 0.0003249200000000, -0.0007408400000000 ] - [ -0.0005702300000000, 0.0003411500000000, -0.0007391000000000 ] - [ 0.0000054100000000, -0.0006711000000000, -0.0007613200000000 ] - [ -0.0005834300000000, 0.0003287200000000, -0.0007614800000000 ] - [ 0.0005765700000000, 0.0003387100000000, -0.0007618800000000 ] - [ 0.0002379900000000, -0.0006854100000000, 0.0003289800000000 ] - [ 0.0000389200000000, -0.0000306700000000, -0.0000933000000000 ] - [ -0.0000847100000000, 0.0001030000000000, -0.0006879400000000 ] - [ 0.0000012500000000, -0.0000012000000000, -0.0006992600000000 ] - [ -0.0000009600000000, 0.0000005400000000, -0.0002794500000000 ] - [ -0.0000002900000000, -0.0000249500000000, -0.0003135900000000 ] - [ -0.0000208100000000, 0.0000095100000000, -0.0006934000000000 ] - [ -0.0000855500000000, -0.0012034800000000, 0.0036367700000000 ] - [ -0.0000016800000000, 0.0000019700000000, -0.0003208300000000 ] - [ -0.0000002400000000, 0.0000001200000000, -0.0003514300000000 ] - [ 0.0000011000000000, 0.0000016000000000, -0.0007094500000000 ] - [ 0.0000003400000000, -0.0000004900000000, -0.0007144500000000 ] - [ 0.0140636500000000, -0.0535860000000000, -0.0343132800000000 ] - [ 0.0048625200000000, 0.0016018100000000, -0.0051467500000000 ] - [ -0.0038308900000000, 0.0164630700000000, -0.0101456600000000 ] - [ -0.0004592300000000, 0.0004482400000000, 0.0008910700000000 ] - [ 0.0004085700000000, 0.0002493300000000, 0.0005179600000000 ] - [ -0.0000431400000000, -0.0004780400000000, 0.0004414000000000 ] - [ 0.0000217800000000, 0.0000186600000000, 0.0001831000000000 ] - [ -0.0049398300000000, 0.0146721900000000, 0.0112878300000000 ] - [ 0.0000007100000000, -0.0000116300000000, -0.0002271100000000 ] - [ 0.0004758800000000, -0.0001032500000000, -0.0022664700000000 ] - [ -0.0056005900000000, 0.0017418900000000, 0.0033128200000000 ] - [ 0.0041760800000000, 0.0027047300000000, 0.0012548200000000 ] - [ -0.0061790900000000, 0.0034507100000000, -0.0094831000000000 ] - [ -0.0000440000000000, 0.0004089100000000, 0.0002259700000000 ] - [ 0.0003416900000000, -0.0001315700000000, 0.0002183000000000 ] - [ -0.0003367700000000, -0.0002586900000000, 0.0002301900000000 ] - [ 0.0003412500000000, 0.0009056700000000, 0.0000258100000000 ] - [ -0.0008167700000000, 0.0007669100000000, -0.0000710300000000 ] - [ -0.0016057700000000, 0.0037421100000000, 0.0047133200000000 ] - [ 0.0001985800000000, -0.0001038300000000, 0.0008726600000000 ] - [ -0.0001906500000000, -0.0001182400000000, 0.0008623500000000 ] - [ 0.0000043800000000, 0.0002500800000000, 0.0009270900000000 ] - [ 0.0003996000000000, 0.0002652500000000, 0.0005963400000000 ] - [ -0.0004315200000000, 0.0002132700000000, 0.0005979600000000 ] - [ 0.0000285800000000, -0.0004814400000000, 0.0006003900000000 ] - [ -0.0003796400000000, 0.0003947800000000, 0.0007137300000000 ] - [ 0.0002041400000000, 0.0001335400000000, 0.0000154000000000 ] - [ -0.0000340600000000, -0.0005758200000000, 0.0012704400000000 ] - [ 0.0003737500000000, -0.0003004000000000, 0.0001492700000000 ] - [ -0.0000032700000000, -0.0000018500000000, 0.0001921100000000 ] - [ -0.0005997400000000, 0.0003225300000000, 0.0001871200000000 ] - [ 0.0000015300000000, 0.0000001000000000, -0.0002218200000000 ] - [ 0.0000510400000000, 0.0004028600000000, 0.0002344200000000 ] - [ -0.0003750800000000, -0.0001560300000000, 0.0002338100000000 ] - [ 0.0003166800000000, -0.0002470800000000, 0.0002342700000000 ] - [ -0.0002486000000000, 0.0011993500000000, 0.0003917200000000 ] - [ 0.0003376000000000, -0.0002458800000000, 0.0000869500000000 ] - [ 0.0001876900000000, -0.0001626700000000, 0.0001640800000000 ] - [ -0.0002248800000000, -0.0001302300000000, 0.0008756700000000 ] - [ 0.0001723900000000, -0.0001530900000000, 0.0009049400000000 ] - [ -0.0000344500000000, 0.0002278200000000, 0.0008701600000000 ] - [ -0.0002358700000000, -0.0071302500000000, -0.0034927700000000 ] - [ -0.0018049700000000, 0.0031261700000000, 0.0085892200000000 ] - [ 0.0062382600000000, 0.0129030700000000, 0.0034393800000000 ] - [ 0.0004021600000000, 0.0002667100000000, 0.0005794000000000 ] - [ -0.0004328900000000, 0.0002161900000000, 0.0005784700000000 ] - [ 0.0000315400000000, -0.0004804400000000, 0.0005767600000000 ] - [ -0.0004051500000000, 0.0002676700000000, 0.0006022900000000 ] - [ 0.0004334900000000, 0.0002164000000000, 0.0006016800000000 ] - [ -0.0000285800000000, -0.0004842700000000, 0.0006024800000000 ] - [ 0.0000020800000000, 0.0000005300000000, 0.0001911500000000 ] - [ -0.0000015700000000, -0.0000001600000000, 0.0001929700000000 ] - [ 0.0000006100000000, 0.0000004700000000, -0.0002240200000000 ] - [ -0.0000011700000000, -0.0000014400000000, -0.0002331300000000 ] - [ 0.0000507400000000, 0.0004033500000000, 0.0002301900000000 ] - [ -0.0003748900000000, -0.0001555200000000, 0.0002301000000000 ] - [ 0.0003230500000000, -0.0002474400000000, 0.0002295500000000 ] - [ -0.0000539100000000, 0.0004046800000000, 0.0002359000000000 ] - [ 0.0003763800000000, -0.0001559800000000, 0.0002355900000000 ] - [ -0.0003248600000000, -0.0002475200000000, 0.0002352700000000 ] - [ -0.0002045000000000, -0.0001150200000000, 0.0008742300000000 ] - [ 0.0002030000000000, -0.0001207900000000, 0.0008753700000000 ] - [ 0.0000030600000000, 0.0002352300000000, 0.0008756600000000 ] - [ 0.0002019300000000, -0.0001217400000000, 0.0008757700000000 ] - [ -0.0002076700000000, -0.0001142500000000, 0.0008777700000000 ] - [ 0.0000067300000000, 0.0002380400000000, 0.0008774500000000 ]- atom: 37 displacement: [ 0.0050000000082145, -0.0086602540331018, 0.0000000000000000 ] forces: - [ 0.0000108900000000, 0.0000170600000000, 0.0009205800000000 ] - [ -0.0003511900000000, 0.0009146500000000, 0.0015359900000000 ] - [ 0.0028739500000000, -0.0065527200000000, -0.0034207000000000 ] - [ 0.0013271100000000, 0.0052310900000000, -0.0022605500000000 ] - [ -0.0048679500000000, 0.0062112300000000, -0.0085153700000000 ] - [ -0.0001266600000000, -0.0004790900000000, 0.0016254100000000 ] - [ -0.0003915700000000, 0.0003754900000000, 0.0015142700000000 ] - [ 0.0005196000000000, 0.0001536900000000, 0.0014481500000000 ] - [ 0.0070297800000000, -0.0054425900000000, -0.0149115600000000 ] - [ -0.0002888600000000, -0.0001041800000000, 0.0009065600000000 ] - [ 0.0001269100000000, -0.0005104600000000, 0.0015365100000000 ] - [ 0.0003811100000000, 0.0003679500000000, 0.0015327300000000 ] - [ -0.0005056900000000, 0.0001434500000000, 0.0015504900000000 ] - [ 0.0002770200000000, -0.0002034500000000, 0.0034330500000000 ] - [ -0.0010971000000000, 0.0005881600000000, -0.0011296000000000 ] - [ 0.0002977200000000, -0.0000010900000000, 0.0038493100000000 ] - [ 0.0000013300000000, -0.0000023300000000, 0.0009414200000000 ] - [ -0.0000020900000000, 0.0000008500000000, 0.0009200400000000 ] - [ 0.0001261300000000, -0.0005054000000000, 0.0015313800000000 ] - [ 0.0003767200000000, 0.0003623500000000, 0.0015332500000000 ] - [ -0.0004988100000000, 0.0001441500000000, 0.0015326400000000 ] - [ -0.0001304200000000, -0.0005086200000000, 0.0015087700000000 ] - [ -0.0003741500000000, 0.0003656600000000, 0.0015099900000000 ] - [ 0.0005047400000000, 0.0001393000000000, 0.0015097500000000 ] - [ -0.0002396600000000, 0.0006717700000000, -0.0005274600000000 ] - [ -0.0000355500000000, 0.0000410000000000, 0.0000315700000000 ] - [ 0.0000759500000000, -0.0001012800000000, -0.0002675500000000 ] - [ -0.0000025800000000, -0.0000006500000000, -0.0002285100000000 ] - [ -0.0000006700000000, 0.0000001400000000, 0.0002141800000000 ] - [ 0.0000002400000000, 0.0000252900000000, 0.0001631100000000 ] - [ 0.0000222300000000, -0.0000077000000000, -0.0002340600000000 ] - [ 0.0001177900000000, 0.0011269300000000, -0.0045595800000000 ] - [ -0.0000004600000000, -0.0000025100000000, 0.0001736700000000 ] - [ 0.0000006800000000, 0.0000001000000000, 0.0001407500000000 ] - [ 0.0000011400000000, 0.0000016000000000, -0.0002405100000000 ] - [ -0.0000001300000000, 0.0000001700000000, -0.0002462400000000 ] - [ -0.0137573600000000, 0.0530793100000000, 0.0328839300000000 ] - [ -0.0052543900000000, -0.0012040100000000, 0.0046721400000000 ] - [ 0.0036582100000000, -0.0166915300000000, 0.0095757400000000 ] - [ -0.0001061200000000, -0.0003311300000000, -0.0012531900000000 ] - [ -0.0000227900000000, 0.0001902600000000, -0.0008712700000000 ] - [ 0.0002185800000000, -0.0000664100000000, -0.0007992300000000 ] - [ -0.0000178800000000, -0.0000139100000000, -0.0001995300000000 ] - [ 0.0049508400000000, -0.0147943300000000, -0.0114989700000000 ] - [ -0.0000006800000000, 0.0000093300000000, -0.0006666600000000 ] - [ -0.0004953700000000, 0.0000388100000000, 0.0013549700000000 ] - [ 0.0056993900000000, -0.0009720000000000, -0.0032481000000000 ] - [ -0.0047842500000000, -0.0029057900000000, -0.0011565700000000 ] - [ 0.0067551100000000, -0.0039504100000000, 0.0094896700000000 ] - [ -0.0000631600000000, 0.0003380100000000, -0.0001211400000000 ] - [ 0.0003502400000000, -0.0001451300000000, -0.0001143400000000 ] - [ -0.0002543300000000, -0.0002041700000000, -0.0001248100000000 ] - [ -0.0004166700000000, -0.0007290400000000, 0.0003489500000000 ] - [ 0.0006987100000000, -0.0009105500000000, 0.0004351200000000 ] - [ 0.0017500300000000, -0.0036850000000000, -0.0040357100000000 ] - [ -0.0001084400000000, 0.0002734800000000, -0.0004295500000000 ] - [ 0.0002891900000000, -0.0000424500000000, -0.0004211000000000 ] - [ -0.0001944000000000, -0.0002593500000000, -0.0004840800000000 ] - [ 0.0001663500000000, -0.0001493600000000, -0.0009481700000000 ] - [ 0.0000487600000000, 0.0002180700000000, -0.0009495700000000 ] - [ -0.0002108300000000, -0.0000656200000000, -0.0009533600000000 ] - [ -0.0001813400000000, -0.0002877500000000, -0.0011133200000000 ] - [ 0.0001738300000000, 0.0002994500000000, -0.0004062200000000 ] - [ 0.0002216600000000, 0.0000313000000000, -0.0016566400000000 ] - [ -0.0003731100000000, 0.0003073700000000, -0.0001525500000000 ] - [ 0.0000008200000000, -0.0000021900000000, -0.0002024300000000 ] - [ 0.0006015200000000, -0.0003227400000000, -0.0010974300000000 ] - [ -0.0000015800000000, -0.0000005100000000, -0.0006755600000000 ] - [ 0.0000561700000000, 0.0003405000000000, -0.0001267900000000 ] - [ -0.0003224600000000, -0.0001210900000000, -0.0001262900000000 ] - [ 0.0002677000000000, -0.0002166400000000, -0.0001270800000000 ] - [ 0.0001411700000000, -0.0004527300000000, -0.0002885100000000 ] - [ 0.0003594000000000, -0.0000282200000000, 0.0000141100000000 ] - [ -0.0007847700000000, -0.0003056300000000, -0.0000644500000000 ] - [ 0.0001338000000000, 0.0002932900000000, -0.0004322400000000 ] - [ -0.0002653200000000, -0.0000093400000000, -0.0004597000000000 ] - [ 0.0002227500000000, -0.0002315000000000, -0.0004277000000000 ] - [ 0.0003310100000000, 0.0073437800000000, 0.0039294200000000 ] - [ 0.0018452300000000, -0.0032667000000000, -0.0080572900000000 ] - [ -0.0064845400000000, -0.0128565800000000, -0.0030539600000000 ] - [ 0.0001620000000000, -0.0001573000000000, -0.0009754400000000 ] - [ 0.0000548800000000, 0.0002171200000000, -0.0009768100000000 ] - [ -0.0002171600000000, -0.0000621900000000, -0.0009753900000000 ] - [ -0.0001667300000000, -0.0001520500000000, -0.0009550600000000 ] - [ -0.0000480500000000, 0.0002201100000000, -0.0009541500000000 ] - [ 0.0002151400000000, -0.0000688700000000, -0.0009543700000000 ] - [ 0.0000023400000000, 0.0000007200000000, -0.0002050000000000 ] - [ -0.0000013200000000, -0.0000004400000000, -0.0001986100000000 ] - [ 0.0000010300000000, 0.0000004600000000, -0.0006708600000000 ] - [ -0.0000007000000000, -0.0000011800000000, -0.0006806700000000 ] - [ 0.0000534000000000, 0.0003406100000000, -0.0001279100000000 ] - [ -0.0003219500000000, -0.0001223300000000, -0.0001277900000000 ] - [ 0.0002676900000000, -0.0002181300000000, -0.0001282800000000 ] - [ -0.0000554000000000, 0.0003415400000000, -0.0001241400000000 ] - [ 0.0003225200000000, -0.0001229300000000, -0.0001246300000000 ] - [ -0.0002697100000000, -0.0002166700000000, -0.0001252900000000 ] - [ 0.0001130600000000, 0.0002826900000000, -0.0004490700000000 ] - [ -0.0002997300000000, -0.0000442200000000, -0.0004476200000000 ] - [ 0.0001892000000000, -0.0002401800000000, -0.0004486000000000 ] - [ -0.0001160900000000, 0.0002771800000000, -0.0004448100000000 ] - [ 0.0002972200000000, -0.0000375400000000, -0.0004437500000000 ] - [ -0.0001798800000000, -0.0002375600000000, -0.0004441500000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000131400000000, 0.0000379800000000, -0.0088406700000000 ] - [ 0.0059001500000000, -0.0107576000000000, -0.0095520700000000 ] - [ 0.0157109300000000, 0.0199208400000000, 0.1580232600000000 ] - [ -0.0094723300000000, -0.0020529800000000, 0.0346207100000000 ] - [ -0.0028988300000000, -0.0002313400000000, 0.0342381000000000 ] - [ 0.0002886700000000, -0.0011174500000000, -0.0061834700000000 ] - [ -0.0012029600000000, 0.0002227300000000, -0.0070640300000000 ] - [ 0.0007332000000000, 0.0008282700000000, -0.0067747300000000 ] - [ -0.0103608100000000, -0.0170628800000000, 0.0358665000000000 ] - [ -0.0002447600000000, 0.0001881300000000, -0.0088731400000000 ] - [ -0.0003493800000000, -0.0010886800000000, -0.0066435600000000 ] - [ 0.0011095900000000, 0.0002376000000000, -0.0065771800000000 ] - [ -0.0007604000000000, 0.0008459500000000, -0.0066084700000000 ] - [ 0.0000187400000000, -0.0015899400000000, -0.0072812300000000 ] - [ -0.0013049600000000, 0.0000597600000000, -0.0082032900000000 ] - [ 0.0009074600000000, 0.0009863700000000, -0.0071350600000000 ] - [ -0.0000028600000000, -0.0000038300000000, -0.0088123700000000 ] - [ -0.0000017600000000, 0.0000014600000000, -0.0088410900000000 ] - [ -0.0003544900000000, -0.0010818600000000, -0.0066247500000000 ] - [ 0.0011141500000000, 0.0002349600000000, -0.0066203200000000 ] - [ -0.0007573200000000, 0.0008457000000000, -0.0066165600000000 ] - [ 0.0003490200000000, -0.0010839700000000, -0.0066430100000000 ] - [ -0.0011118700000000, 0.0002371500000000, -0.0066426900000000 ] - [ 0.0007624900000000, 0.0008431600000000, -0.0066426700000000 ] - [ 0.0011644400000000, -0.0005396400000000, 0.0043799400000000 ] - [ 0.0004116800000000, 0.0011401900000000, -0.0014414900000000 ] - [ -0.0012355600000000, -0.0000390700000000, -0.0017338300000000 ] - [ -0.0000042200000000, -0.0000016200000000, -0.0019238200000000 ] - [ -0.0000005700000000, 0.0000008400000000, -0.0015761000000000 ] - [ 0.0000074700000000, 0.0000000200000000, -0.0016295600000000 ] - [ 0.0000042000000000, -0.0000259600000000, -0.0019198900000000 ] - [ -0.0007547800000000, 0.0009429600000000, 0.0035841100000000 ] - [ 0.0000025400000000, -0.0000006600000000, -0.0016199600000000 ] - [ 0.0000005600000000, 0.0000003100000000, -0.0016471300000000 ] - [ 0.0000014200000000, 0.0000015500000000, -0.0019316600000000 ] - [ 0.0000006300000000, 0.0000006800000000, -0.0019340100000000 ] - [ -0.0324281900000000, -0.0574506200000000, -0.2473152400000000 ] - [ 0.0134451300000000, 0.0036401900000000, -0.0354752400000000 ] - [ -0.0049864600000000, 0.0126404500000000, -0.0354709700000000 ] - [ -0.0009940600000000, 0.0015304200000000, 0.0043410700000000 ] - [ 0.0019231600000000, 0.0009609800000000, 0.0052170700000000 ] - [ -0.0013758200000000, -0.0012114000000000, 0.0047983800000000 ] - [ 0.0000452700000000, -0.0000889100000000, 0.0011904300000000 ] - [ -0.0069164300000000, 0.0189842800000000, -0.0005337700000000 ] - [ -0.0000234400000000, 0.0000397200000000, 0.0009581500000000 ] - [ -0.0067495900000000, -0.0142734500000000, 0.0019189700000000 ] - [ -0.0086743200000000, 0.0005340600000000, -0.0008921900000000 ] - [ 0.0166957800000000, 0.0141261800000000, -0.0015810700000000 ] - [ 0.0211811000000000, -0.0161339900000000, 0.0038814100000000 ] - [ -0.0000975200000000, 0.0006315100000000, 0.0011962200000000 ] - [ 0.0005596100000000, -0.0002786000000000, 0.0011638200000000 ] - [ -0.0003892800000000, -0.0002312200000000, 0.0011568700000000 ] - [ 0.0008642300000000, 0.0019254300000000, -0.0028062200000000 ] - [ -0.0021976600000000, 0.0003225200000000, -0.0038313600000000 ] - [ -0.0054910900000000, 0.0111912600000000, 0.0329017200000000 ] - [ 0.0009986700000000, -0.0010957900000000, 0.0043413600000000 ] - [ -0.0014500400000000, -0.0003063200000000, 0.0042706800000000 ] - [ 0.0004554100000000, 0.0014213300000000, 0.0042794300000000 ] - [ 0.0010289600000000, 0.0013758600000000, 0.0045996600000000 ] - [ -0.0016982700000000, 0.0002003100000000, 0.0045853800000000 ] - [ 0.0006772300000000, -0.0015753000000000, 0.0045910200000000 ] - [ -0.0008135100000000, 0.0016021000000000, 0.0043216700000000 ] - [ 0.0021366500000000, 0.0005412100000000, 0.0052024200000000 ] - [ -0.0005251700000000, -0.0013547300000000, 0.0047802600000000 ] - [ -0.0001625100000000, -0.0000243200000000, 0.0010672400000000 ] - [ -0.0000022300000000, -0.0000067100000000, 0.0011952200000000 ] - [ 0.0000965300000000, -0.0000023300000000, 0.0009854000000000 ] - [ 0.0000060800000000, 0.0000037800000000, 0.0009537900000000 ] - [ 0.0000521000000000, 0.0005772200000000, 0.0011688800000000 ] - [ -0.0005206600000000, -0.0002492900000000, 0.0011675700000000 ] - [ 0.0004644500000000, -0.0003235100000000, 0.0011670200000000 ] - [ -0.0000294400000000, 0.0012376000000000, 0.0014310600000000 ] - [ 0.0008407600000000, 0.0002773000000000, 0.0011682600000000 ] - [ -0.0002157300000000, -0.0000223000000000, 0.0009625200000000 ] - [ -0.0009554300000000, -0.0010952500000000, 0.0042487600000000 ] - [ 0.0014960900000000, -0.0003193800000000, 0.0042996200000000 ] - [ -0.0004484200000000, 0.0014344100000000, 0.0043564700000000 ] - [ 0.0124211200000000, 0.0034747700000000, 0.0142678600000000 ] - [ -0.0048725300000000, 0.0095592200000000, 0.0109950600000000 ] - [ 0.0089677600000000, 0.0169075600000000, 0.0080346700000000 ] - [ 0.0010316900000000, 0.0013767800000000, 0.0045889800000000 ] - [ -0.0017062800000000, 0.0001986700000000, 0.0045778900000000 ] - [ 0.0006783500000000, -0.0015756800000000, 0.0045718500000000 ] - [ -0.0010297100000000, 0.0013744300000000, 0.0046053300000000 ] - [ 0.0017047900000000, 0.0002043200000000, 0.0046040200000000 ] - [ -0.0006751500000000, -0.0015788700000000, 0.0046057500000000 ] - [ 0.0000031200000000, 0.0000011500000000, 0.0011983200000000 ] - [ -0.0000023200000000, -0.0000014000000000, 0.0012011200000000 ] - [ 0.0000001100000000, 0.0000001000000000, 0.0009486100000000 ] - [ 0.0000001000000000, -0.0000005800000000, 0.0009389900000000 ] - [ 0.0000450100000000, 0.0005748000000000, 0.0011650200000000 ] - [ -0.0005183800000000, -0.0002459400000000, 0.0011643000000000 ] - [ 0.0004726500000000, -0.0003271000000000, 0.0011647000000000 ] - [ -0.0000482000000000, 0.0005754100000000, 0.0011703800000000 ] - [ 0.0005194400000000, -0.0002450000000000, 0.0011701700000000 ] - [ -0.0004745000000000, -0.0003278100000000, 0.0011700700000000 ] - [ -0.0010015800000000, -0.0011068200000000, 0.0042860500000000 ] - [ 0.0014609100000000, -0.0003147800000000, 0.0042864400000000 ] - [ -0.0004571000000000, 0.0014209000000000, 0.0042866200000000 ] - [ 0.0009963900000000, -0.0011089500000000, 0.0042869300000000 ] - [ -0.0014589900000000, -0.0003081400000000, 0.0042871800000000 ] - [ 0.0004650100000000, 0.0014191300000000, 0.0042871300000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000112100000000, -0.0000394900000000, 0.0079890300000000 ] - [ -0.0059735600000000, 0.0108884800000000, 0.0087648600000000 ] - [ -0.0167305400000000, -0.0231081400000000, -0.1683532600000000 ] - [ 0.0105157100000000, 0.0028062100000000, -0.0342701000000000 ] - [ 0.0018700000000000, 0.0007095700000000, -0.0339174500000000 ] - [ -0.0004173000000000, -0.0000715700000000, 0.0070158000000000 ] - [ 0.0002452400000000, 0.0004802800000000, 0.0079032400000000 ] - [ 0.0003598300000000, -0.0003494200000000, 0.0076098900000000 ] - [ 0.0109331900000000, 0.0184231300000000, -0.0360377900000000 ] - [ 0.0002405800000000, -0.0001869100000000, 0.0080373900000000 ] - [ 0.0004783400000000, -0.0001002400000000, 0.0074723500000000 ] - [ -0.0001399700000000, 0.0004681500000000, 0.0074064300000000 ] - [ -0.0003292400000000, -0.0003616200000000, 0.0074391600000000 ] - [ -0.0001404900000000, 0.0004014300000000, 0.0081024500000000 ] - [ 0.0003485000000000, 0.0006226800000000, 0.0089984700000000 ] - [ 0.0001725600000000, -0.0004996300000000, 0.0079373300000000 ] - [ 0.0000031700000000, 0.0000035800000000, 0.0080106600000000 ] - [ -0.0000010000000000, 0.0000014100000000, 0.0079843400000000 ] - [ 0.0004764600000000, -0.0000986100000000, 0.0074315500000000 ] - [ -0.0001489400000000, 0.0004622200000000, 0.0074262000000000 ] - [ -0.0003221500000000, -0.0003618700000000, 0.0074231100000000 ] - [ -0.0004805800000000, -0.0001053800000000, 0.0074029400000000 ] - [ 0.0001519600000000, 0.0004659400000000, 0.0074045900000000 ] - [ 0.0003285700000000, -0.0003647000000000, 0.0074043600000000 ] - [ -0.0012368100000000, 0.0005395100000000, -0.0044966000000000 ] - [ -0.0004172200000000, -0.0011549000000000, 0.0013839700000000 ] - [ 0.0012507900000000, 0.0000406100000000, 0.0007670600000000 ] - [ 0.0000032200000000, 0.0000002600000000, 0.0009942900000000 ] - [ -0.0000005300000000, -0.0000001100000000, 0.0015172600000000 ] - [ -0.0000075000000000, 0.0000006100000000, 0.0014806100000000 ] - [ -0.0000023800000000, 0.0000280600000000, 0.0009949600000000 ] - [ 0.0008039800000000, -0.0010592900000000, -0.0044239200000000 ] - [ -0.0000043400000000, -0.0000004800000000, 0.0014764400000000 ] - [ 0.0000003900000000, 0.0000002800000000, 0.0014443500000000 ] - [ 0.0000007600000000, 0.0000010600000000, 0.0009819600000000 ] - [ -0.0000000700000000, -0.0000007000000000, 0.0009765700000000 ] - [ 0.0336471500000000, 0.0583050800000000, 0.2568079400000000 ] - [ -0.0139496800000000, -0.0032868500000000, 0.0353491800000000 ] - [ 0.0048076900000000, -0.0133591300000000, 0.0353546000000000 ] - [ 0.0004396300000000, -0.0014343900000000, -0.0047167600000000 ] - [ -0.0015631500000000, -0.0005384500000000, -0.0055993300000000 ] - [ 0.0015754300000000, 0.0006775000000000, -0.0051762300000000 ] - [ -0.0000443400000000, 0.0000952700000000, -0.0011956000000000 ] - [ 0.0069891000000000, -0.0191694600000000, 0.0006859000000000 ] - [ 0.0000242100000000, -0.0000410600000000, -0.0018698400000000 ] - [ 0.0068491100000000, 0.0145025700000000, -0.0028704900000000 ] - [ 0.0088582500000000, 0.0001952900000000, 0.0010886400000000 ] - [ -0.0176056700000000, -0.0145554400000000, 0.0018346100000000 ] - [ -0.0208724300000000, 0.0158559500000000, -0.0036864500000000 ] - [ -0.0000185600000000, 0.0001034000000000, -0.0010911900000000 ] - [ 0.0001306700000000, 0.0000141500000000, -0.0010587400000000 ] - [ -0.0001915600000000, -0.0002358900000000, -0.0010511400000000 ] - [ -0.0009633300000000, -0.0018109300000000, 0.0032887600000000 ] - [ 0.0021483500000000, -0.0004766100000000, 0.0043231400000000 ] - [ 0.0057367000000000, -0.0113202400000000, -0.0330423300000000 ] - [ -0.0009056700000000, 0.0012520300000000, -0.0039227400000000 ] - [ 0.0015382700000000, 0.0001494000000000, -0.0038512400000000 ] - [ -0.0006355100000000, -0.0014215300000000, -0.0038598900000000 ] - [ -0.0004754000000000, -0.0012855000000000, -0.0049549400000000 ] - [ 0.0013433400000000, 0.0002333900000000, -0.0049408800000000 ] - [ -0.0008751000000000, 0.0010511700000000, -0.0049471500000000 ] - [ 0.0002622800000000, -0.0015106100000000, -0.0047344400000000 ] - [ -0.0017795200000000, -0.0001017900000000, -0.0056107300000000 ] - [ 0.0007280100000000, 0.0008345200000000, -0.0051932400000000 ] - [ 0.0001598700000000, 0.0000269000000000, -0.0010762500000000 ] - [ -0.0000005900000000, 0.0000029600000000, -0.0011933700000000 ] - [ -0.0000931700000000, -0.0000016500000000, -0.0019155800000000 ] - [ -0.0000057000000000, -0.0000042900000000, -0.0018672900000000 ] - [ 0.0000644300000000, 0.0001585500000000, -0.0010575600000000 ] - [ -0.0001746400000000, -0.0000155800000000, -0.0010565200000000 ] - [ 0.0001074600000000, -0.0001440100000000, -0.0010564800000000 ] - [ -0.0000927500000000, -0.0004884000000000, -0.0013243200000000 ] - [ -0.0001350800000000, -0.0005369300000000, -0.0010651900000000 ] - [ -0.0003685900000000, -0.0004502500000000, -0.0008668500000000 ] - [ 0.0008694300000000, 0.0012571300000000, -0.0038347300000000 ] - [ -0.0015912800000000, 0.0001625500000000, -0.0038845700000000 ] - [ 0.0006319000000000, -0.0014394400000000, -0.0039426500000000 ] - [ -0.0120707900000000, -0.0034280800000000, -0.0136212700000000 ] - [ 0.0047058800000000, -0.0096110300000000, -0.0104004400000000 ] - [ -0.0090380300000000, -0.0166898700000000, -0.0074018200000000 ] - [ -0.0004771600000000, -0.0012851200000000, -0.0049758900000000 ] - [ 0.0013487300000000, 0.0002350400000000, -0.0049658400000000 ] - [ -0.0008740100000000, 0.0010502000000000, -0.0049595700000000 ] - [ 0.0004697900000000, -0.0012829300000000, -0.0049444400000000 ] - [ -0.0013462800000000, 0.0002342300000000, -0.0049440200000000 ] - [ 0.0008763300000000, 0.0010482900000000, -0.0049443800000000 ] - [ 0.0000022400000000, 0.0000011200000000, -0.0011925200000000 ] - [ -0.0000011500000000, -0.0000011400000000, -0.0011894500000000 ] - [ 0.0000001200000000, 0.0000002900000000, -0.0018661600000000 ] - [ -0.0000005300000000, -0.0000005200000000, -0.0018759900000000 ] - [ 0.0000681900000000, 0.0001624800000000, -0.0010607000000000 ] - [ -0.0001766000000000, -0.0000221400000000, -0.0010603000000000 ] - [ 0.0001049700000000, -0.0001408400000000, -0.0010611400000000 ] - [ -0.0000706100000000, 0.0001631800000000, -0.0010545500000000 ] - [ 0.0001744200000000, -0.0000200700000000, -0.0010547700000000 ] - [ -0.0001069500000000, -0.0001403200000000, -0.0010549300000000 ] - [ 0.0009003700000000, 0.0012511000000000, -0.0038783800000000 ] - [ -0.0015333200000000, 0.0001535700000000, -0.0038776300000000 ] - [ 0.0006336300000000, -0.0014058100000000, -0.0038796000000000 ] - [ -0.0009057400000000, 0.0012470400000000, -0.0038793100000000 ] - [ 0.0015323800000000, 0.0001605900000000, -0.0038791100000000 ] - [ -0.0006273300000000, -0.0014091100000000, -0.0038783800000000 ]- atom: 43 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0071178700000000, -0.0004936700000000, -0.0005061000000000 ] - [ -0.0075436800000000, -0.0090241400000000, -0.0004393900000000 ] - [ 0.0000541600000000, -0.0006318800000000, 0.0001327900000000 ] - [ 0.0004591600000000, 0.0003184300000000, 0.0003859800000000 ] - [ -0.0005398700000000, 0.0001997300000000, 0.0005927200000000 ] - [ 0.0135775200000000, 0.0279876000000000, -0.0025296400000000 ] - [ 0.0472143900000000, -0.0225020400000000, -0.0075926200000000 ] - [ 0.0708558800000000, 0.0322179500000000, 0.0107064000000000 ] - [ 0.0000360000000000, -0.0000374700000000, -0.0004459200000000 ] - [ -0.0000019700000000, 0.0000003400000000, -0.0004449500000000 ] - [ 0.0000635400000000, -0.0005874700000000, 0.0004021500000000 ] - [ 0.0004791400000000, 0.0003497900000000, 0.0004017200000000 ] - [ -0.0005392100000000, 0.0002386100000000, 0.0004024700000000 ] - [ -0.0000598800000000, -0.0005862000000000, 0.0003911200000000 ] - [ -0.0004743100000000, 0.0003426800000000, 0.0003957400000000 ] - [ 0.0005343200000000, 0.0002387400000000, 0.0003977200000000 ] - [ 0.0000003400000000, -0.0000009700000000, -0.0004221000000000 ] - [ -0.0000311600000000, -0.0000100200000000, -0.0004451200000000 ] - [ 0.0000891100000000, -0.0005492200000000, 0.0004693200000000 ] - [ 0.0005458500000000, 0.0003453100000000, 0.0003845600000000 ] - [ -0.0005159000000000, 0.0002208800000000, 0.0003317800000000 ] - [ -0.0000653400000000, -0.0005865800000000, 0.0003718000000000 ] - [ -0.0004750000000000, 0.0003481300000000, 0.0003747400000000 ] - [ 0.0005387400000000, 0.0002363000000000, 0.0003692700000000 ] - [ -0.0000003700000000, 0.0000018500000000, -0.0000949900000000 ] - [ -0.0003183900000000, 0.0006232600000000, -0.0000221800000000 ] - [ 0.0009833000000000, 0.0000225100000000, -0.0004622200000000 ] - [ -0.0001828300000000, 0.0005796300000000, -0.0004554700000000 ] - [ -0.0000013900000000, -0.0000006100000000, -0.0000227300000000 ] - [ -0.0000006400000000, 0.0000005400000000, -0.0000643800000000 ] - [ -0.0000004600000000, 0.0000007600000000, -0.0004605100000000 ] - [ -0.0000057700000000, -0.0000007900000000, -0.0004707100000000 ] - [ -0.0006475100000000, -0.0007112000000000, -0.0000584800000000 ] - [ 0.0000012600000000, -0.0000019800000000, -0.0000948300000000 ] - [ -0.0000001100000000, 0.0000040500000000, -0.0004717200000000 ] - [ 0.0000008000000000, -0.0000009800000000, -0.0004749400000000 ] - [ 0.0003125900000000, 0.0000886200000000, -0.0001293500000000 ] - [ -0.0001838300000000, 0.0002480000000000, -0.0001189500000000 ] - [ -0.0000944300000000, -0.0002042300000000, -0.0002763400000000 ] - [ -0.0004994200000000, 0.0057722400000000, 0.0066936400000000 ] - [ 0.0098234600000000, -0.0060776200000000, 0.0128901200000000 ] - [ 0.0151907400000000, 0.0079663500000000, -0.0198304400000000 ] - [ -0.2624853900000000, 0.0009112000000000, 0.0006347300000000 ] - [ 0.0000272600000000, -0.0000278300000000, -0.0000052700000000 ] - [ 0.0020099700000000, 0.0071022500000000, -0.0004762300000000 ] - [ -0.0000005000000000, 0.0000669400000000, -0.0004539700000000 ] - [ 0.0001050800000000, 0.0003940800000000, 0.0000625400000000 ] - [ -0.0003458900000000, -0.0001136400000000, 0.0000482300000000 ] - [ 0.0003152400000000, -0.0001682800000000, 0.0000475300000000 ] - [ 0.0129918300000000, -0.0576231700000000, 0.0044598000000000 ] - [ 0.0823294900000000, -0.0122463000000000, -0.0065044100000000 ] - [ 0.0070658400000000, 0.0234379900000000, 0.0020100100000000 ] - [ 0.0007932000000000, 0.0008852200000000, 0.0007248200000000 ] - [ 0.0005302100000000, 0.0006276000000000, -0.0004492400000000 ] - [ 0.0006704400000000, 0.0010315000000000, 0.0003870300000000 ] - [ -0.0001190800000000, -0.0009396800000000, -0.0072544800000000 ] - [ 0.0016185100000000, -0.0003823900000000, 0.0125973900000000 ] - [ -0.0000456200000000, 0.0007512800000000, -0.0047216000000000 ] - [ 0.0002788200000000, 0.0000483400000000, -0.0001748200000000 ] - [ -0.0001817200000000, 0.0002170400000000, -0.0001744900000000 ] - [ -0.0000970800000000, -0.0002652600000000, -0.0001748500000000 ] - [ -0.0002782100000000, 0.0000465000000000, -0.0001951800000000 ] - [ 0.0001783500000000, 0.0002169200000000, -0.0001964400000000 ] - [ 0.0000989300000000, -0.0002630700000000, -0.0001969700000000 ] - [ -0.0000003600000000, 0.0000028200000000, 0.0000001500000000 ] - [ -0.0000017800000000, -0.0000015400000000, -0.0000036000000000 ] - [ -0.0000001300000000, 0.0000007600000000, -0.0004633200000000 ] - [ -0.0000000500000000, -0.0000005400000000, -0.0004553300000000 ] - [ 0.0000542700000000, 0.0003682100000000, 0.0000512200000000 ] - [ -0.0003464800000000, -0.0001356300000000, 0.0000510500000000 ] - [ 0.0002874900000000, -0.0002315400000000, 0.0000509300000000 ] - [ -0.0000557600000000, 0.0003686800000000, 0.0000487200000000 ] - [ 0.0003465100000000, -0.0001359300000000, 0.0000486900000000 ] - [ -0.0002928700000000, -0.0002309200000000, 0.0000484700000000 ] - [ -0.0000521800000000, 0.0000692000000000, 0.0002219900000000 ] - [ -0.0000331200000000, -0.0000799300000000, 0.0002223200000000 ] - [ 0.0000858800000000, 0.0000104000000000, 0.0002214600000000 ] - [ 0.0000524400000000, 0.0000745600000000, 0.0002165400000000 ] - [ 0.0000300900000000, -0.0000751800000000, 0.0002090400000000 ] - [ -0.0000881200000000, 0.0000198500000000, 0.0002202900000000 ] - [ -0.0001897900000000, 0.0002025300000000, -0.0003573300000000 ] - [ -0.0003063600000000, 0.0002056400000000, -0.0000935800000000 ] - [ -0.0005448700000000, -0.0004767500000000, -0.0001413900000000 ] - [ -0.0002795900000000, 0.0000495200000000, -0.0001740600000000 ] - [ 0.0001805100000000, 0.0002196800000000, -0.0001795300000000 ] - [ 0.0001003600000000, -0.0002693800000000, -0.0001708800000000 ] - [ 0.0000020700000000, 0.0000014200000000, -0.0000049100000000 ] - [ 0.0000250300000000, -0.0000261900000000, -0.0000005700000000 ] - [ -0.0000001800000000, 0.0000002000000000, -0.0004542000000000 ] - [ 0.0000256000000000, 0.0000025000000000, -0.0004638000000000 ] - [ 0.0000271900000000, 0.0003730500000000, 0.0000551000000000 ] - [ -0.0003951100000000, -0.0001562100000000, 0.0000658600000000 ] - [ 0.0002313000000000, -0.0002207200000000, 0.0000242900000000 ] - [ -0.0000559900000000, 0.0003689600000000, 0.0000531200000000 ] - [ 0.0003461200000000, -0.0001359400000000, 0.0000531800000000 ] - [ -0.0002933700000000, -0.0002322500000000, 0.0000530300000000 ] - [ -0.0000588200000000, 0.0000768300000000, 0.0001915500000000 ] - [ -0.0000354700000000, -0.0000774900000000, 0.0002430900000000 ] - [ 0.0000790900000000, 0.0000173500000000, 0.0002083800000000 ] - [ 0.0000498600000000, 0.0000639800000000, 0.0002158900000000 ] - [ 0.0000292500000000, -0.0000747000000000, 0.0002170400000000 ] - [ -0.0000790200000000, 0.0000122200000000, 0.0002170200000000 ]- atom: 43 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0072724400000000, 0.0004693700000000, -0.0005074800000000 ] - [ 0.0076359100000000, 0.0092880700000000, -0.0004407000000000 ] - [ 0.0000786000000000, -0.0005356200000000, 0.0006113800000000 ] - [ 0.0004908000000000, 0.0003826700000000, 0.0003581200000000 ] - [ -0.0005382000000000, 0.0002732500000000, 0.0001455600000000 ] - [ -0.0131782300000000, -0.0278027400000000, 0.0033034000000000 ] - [ -0.0470078600000000, 0.0209440900000000, 0.0079980100000000 ] - [ -0.0756718600000000, -0.0324022000000000, -0.0107284400000000 ] - [ -0.0000402300000000, 0.0000395500000000, -0.0004463700000000 ] - [ -0.0000003900000000, 0.0000013900000000, -0.0004453800000000 ] - [ 0.0000640900000000, -0.0005868000000000, 0.0004030800000000 ] - [ 0.0004795100000000, 0.0003493400000000, 0.0004026600000000 ] - [ -0.0005386700000000, 0.0002385200000000, 0.0004027000000000 ] - [ -0.0000594800000000, -0.0005844700000000, 0.0003989600000000 ] - [ -0.0004738600000000, 0.0003419400000000, 0.0003958700000000 ] - [ 0.0005361700000000, 0.0002395000000000, 0.0003925900000000 ] - [ 0.0000001900000000, -0.0000007900000000, -0.0004230800000000 ] - [ 0.0000283800000000, 0.0000110100000000, -0.0004457200000000 ] - [ 0.0000333300000000, -0.0006188700000000, 0.0003206200000000 ] - [ 0.0004073700000000, 0.0003443300000000, 0.0004033000000000 ] - [ -0.0005526200000000, 0.0002567500000000, 0.0004636100000000 ] - [ -0.0000639700000000, -0.0005862600000000, 0.0003728200000000 ] - [ -0.0004746600000000, 0.0003474100000000, 0.0003698000000000 ] - [ 0.0005391500000000, 0.0002351200000000, 0.0003744800000000 ] - [ -0.0000001200000000, -0.0000021400000000, -0.0000956500000000 ] - [ 0.0003345400000000, -0.0006355400000000, -0.0000232000000000 ] - [ -0.0009967500000000, -0.0000280500000000, -0.0004597300000000 ] - [ 0.0001928800000000, -0.0005907000000000, -0.0004532000000000 ] - [ -0.0000000500000000, -0.0000005100000000, -0.0000225000000000 ] - [ 0.0000004300000000, 0.0000007800000000, -0.0000644200000000 ] - [ 0.0000005600000000, 0.0000010900000000, -0.0004579100000000 ] - [ 0.0000045300000000, -0.0000014900000000, -0.0004684000000000 ] - [ 0.0006579400000000, 0.0007280400000000, -0.0000589400000000 ] - [ -0.0000013400000000, 0.0000015900000000, -0.0000947800000000 ] - [ 0.0000006100000000, -0.0000021100000000, -0.0004690800000000 ] - [ -0.0000020300000000, -0.0000011100000000, -0.0004725400000000 ] - [ 0.0002504800000000, 0.0000077900000000, -0.0002218700000000 ] - [ -0.0001813300000000, 0.0001902200000000, -0.0002341200000000 ] - [ -0.0001016100000000, -0.0003330500000000, -0.0000734900000000 ] - [ -0.0000929700000000, -0.0058828000000000, -0.0072129200000000 ] - [ -0.0095706600000000, 0.0064795600000000, -0.0132011000000000 ] - [ -0.0152739200000000, -0.0087362000000000, 0.0201688000000000 ] - [ 0.2668995800000000, 0.0009098200000000, 0.0006427000000000 ] - [ -0.0000266200000000, 0.0000227600000000, -0.0000066400000000 ] - [ -0.0022755100000000, -0.0073873700000000, -0.0004759600000000 ] - [ 0.0000006300000000, -0.0000679000000000, -0.0004531600000000 ] - [ 0.0000049400000000, 0.0003462900000000, 0.0000428100000000 ] - [ -0.0003511000000000, -0.0001617000000000, 0.0000569300000000 ] - [ 0.0002645100000000, -0.0002980500000000, 0.0000573400000000 ] - [ -0.0131678300000000, 0.0589907200000000, -0.0044703700000000 ] - [ -0.0807857300000000, 0.0123577900000000, 0.0064047300000000 ] - [ -0.0078905000000000, -0.0245485500000000, -0.0019695900000000 ] - [ -0.0009050800000000, -0.0007913600000000, -0.0002976200000000 ] - [ -0.0005884800000000, -0.0008015300000000, 0.0009030200000000 ] - [ -0.0005214400000000, -0.0010280900000000, 0.0000578600000000 ] - [ 0.0001603000000000, 0.0011381700000000, 0.0077693000000000 ] - [ -0.0014589600000000, 0.0002268900000000, -0.0124397900000000 ] - [ -0.0001755700000000, -0.0008180000000000, 0.0052908000000000 ] - [ 0.0002798600000000, 0.0000493000000000, -0.0001749200000000 ] - [ -0.0001824700000000, 0.0002169700000000, -0.0001748300000000 ] - [ -0.0000961500000000, -0.0002660700000000, -0.0001746800000000 ] - [ -0.0002776300000000, 0.0000467400000000, -0.0001972600000000 ] - [ 0.0001805200000000, 0.0002165300000000, -0.0001968800000000 ] - [ 0.0000989900000000, -0.0002648200000000, -0.0001966200000000 ] - [ 0.0000011900000000, 0.0000033700000000, -0.0000007200000000 ] - [ -0.0000012100000000, -0.0000013700000000, -0.0000042600000000 ] - [ 0.0000006600000000, -0.0000006900000000, -0.0004629400000000 ] - [ 0.0000003200000000, -0.0000004400000000, -0.0004552200000000 ] - [ 0.0000546900000000, 0.0003684800000000, 0.0000507800000000 ] - [ -0.0003463600000000, -0.0001360200000000, 0.0000506300000000 ] - [ 0.0002889700000000, -0.0002316500000000, 0.0000505100000000 ] - [ -0.0000541700000000, 0.0003694000000000, 0.0000484900000000 ] - [ 0.0003461300000000, -0.0001362100000000, 0.0000478800000000 ] - [ -0.0002930100000000, -0.0002325800000000, 0.0000485600000000 ] - [ -0.0000512600000000, 0.0000696200000000, 0.0002219200000000 ] - [ -0.0000333700000000, -0.0000801500000000, 0.0002225200000000 ] - [ 0.0000868900000000, 0.0000093500000000, 0.0002215500000000 ] - [ 0.0000576900000000, 0.0000626900000000, 0.0002144600000000 ] - [ 0.0000357800000000, -0.0000874300000000, 0.0002214100000000 ] - [ -0.0000844100000000, 0.0000042900000000, 0.0002105700000000 ] - [ 0.0007509900000000, -0.0001161300000000, -0.0000351600000000 ] - [ -0.0000448600000000, 0.0002311000000000, -0.0002996100000000 ] - [ 0.0003562900000000, -0.0000390100000000, -0.0002583400000000 ] - [ -0.0002836000000000, 0.0000475800000000, -0.0001755900000000 ] - [ 0.0001852600000000, 0.0002189800000000, -0.0001707500000000 ] - [ 0.0000976100000000, -0.0002664900000000, -0.0001779800000000 ] - [ 0.0000033900000000, 0.0000007900000000, -0.0000055300000000 ] - [ -0.0000287700000000, 0.0000246000000000, -0.0000014200000000 ] - [ 0.0000001500000000, 0.0000002000000000, -0.0004542800000000 ] - [ -0.0000262200000000, -0.0000042300000000, -0.0004638400000000 ] - [ 0.0000808300000000, 0.0003664000000000, 0.0000415400000000 ] - [ -0.0002962600000000, -0.0001166100000000, 0.0000304500000000 ] - [ 0.0003493800000000, -0.0002430900000000, 0.0000714700000000 ] - [ -0.0000551800000000, 0.0003711000000000, 0.0000529800000000 ] - [ 0.0003461100000000, -0.0001365300000000, 0.0000525500000000 ] - [ -0.0002925500000000, -0.0002322000000000, 0.0000525700000000 ] - [ -0.0000476600000000, 0.0000618200000000, 0.0002372900000000 ] - [ -0.0000287100000000, -0.0000858000000000, 0.0001856800000000 ] - [ 0.0000951000000000, 0.0000070300000000, 0.0002200300000000 ] - [ 0.0000502800000000, 0.0000643600000000, 0.0002166400000000 ] - [ 0.0000302400000000, -0.0000745600000000, 0.0002165400000000 ] - [ -0.0000788300000000, 0.0000115500000000, 0.0002167300000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0040569700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038163800000000 ] - [ -0.0000934800000000, -0.0007347900000000, -0.0013837400000000 ] - [ 0.0006830900000000, 0.0002864400000000, -0.0013837400000000 ] - [ -0.0005896100000000, 0.0004483500000000, -0.0013837400000000 ] - [ -0.0046441700000000, -0.0162388800000000, 0.0161660100000000 ] - [ -0.0117412000000000, 0.0121414000000000, 0.0161660100000000 ] - [ 0.0163853600000000, 0.0040974700000000, 0.0161660100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025438300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025352200000000 ] - [ -0.0000420100000000, -0.0007126700000000, -0.0013466000000000 ] - [ 0.0006382000000000, 0.0003199500000000, -0.0013466000000000 ] - [ -0.0005961800000000, 0.0003927200000000, -0.0013466000000000 ] - [ 0.0000460200000000, -0.0007086900000000, -0.0013563700000000 ] - [ -0.0006367600000000, 0.0003144900000000, -0.0013563700000000 ] - [ 0.0005907300000000, 0.0003942000000000, -0.0013563700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025132500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025338900000000 ] - [ -0.0000300600000000, -0.0007392200000000, -0.0013091200000000 ] - [ 0.0006552100000000, 0.0003435800000000, -0.0013091200000000 ] - [ -0.0006251500000000, 0.0003956400000000, -0.0013091200000000 ] - [ 0.0000397800000000, -0.0007101200000000, -0.0013783900000000 ] - [ -0.0006348700000000, 0.0003206100000000, -0.0013783900000000 ] - [ 0.0005950900000000, 0.0003895100000000, -0.0013783900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004872000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000959100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019756300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001731600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004204500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004590700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008301300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008399900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001395000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005007100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008436200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008435200000000 ] - [ 0.0004684300000000, 0.0003765900000000, 0.0010183700000000 ] - [ -0.0005603500000000, 0.0002173800000000, 0.0010183700000000 ] - [ 0.0000919200000000, -0.0005939700000000, 0.0010183700000000 ] - [ 0.0039217500000000, 0.0108970900000000, -0.0007852400000000 ] - [ 0.0074762900000000, -0.0088448800000000, -0.0007852400000000 ] - [ -0.0113980300000000, -0.0020522100000000, -0.0007852400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0344010800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002756000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015931900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001072500000000 ] - [ 0.0000236100000000, 0.0003997000000000, 0.0003471400000000 ] - [ -0.0003579500000000, -0.0001794000000000, 0.0003471400000000 ] - [ 0.0003343400000000, -0.0002202900000000, 0.0003471400000000 ] - [ 0.0023789200000000, -0.0017659700000000, -0.0053755200000000 ] - [ -0.0027188400000000, -0.0011772200000000, -0.0053755200000000 ] - [ 0.0003399200000000, 0.0029431900000000, -0.0053755200000000 ] - [ -0.0007027300000000, -0.0003632500000000, 0.0011925200000000 ] - [ 0.0006659500000000, -0.0004269600000000, 0.0011925200000000 ] - [ 0.0000367900000000, 0.0007902100000000, 0.0011925200000000 ] - [ -0.0036929200000000, 0.0054476900000000, 0.0042704100000000 ] - [ 0.0065643000000000, 0.0004743200000000, 0.0042704100000000 ] - [ -0.0028713800000000, -0.0059220100000000, 0.0042704100000000 ] - [ 0.0004641000000000, 0.0003766300000000, 0.0010172800000000 ] - [ -0.0005582200000000, 0.0002136100000000, 0.0010172800000000 ] - [ 0.0000941200000000, -0.0005902300000000, 0.0010172800000000 ] - [ -0.0004629500000000, 0.0003738800000000, 0.0009991100000000 ] - [ 0.0005552700000000, 0.0002139900000000, 0.0009991100000000 ] - [ -0.0000923100000000, -0.0005878700000000, 0.0009991100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003014800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002976200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001158900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001049900000000 ] - [ 0.0000549200000000, 0.0004177400000000, 0.0003318300000000 ] - [ -0.0003892300000000, -0.0001613100000000, 0.0003318300000000 ] - [ 0.0003343100000000, -0.0002564300000000, 0.0003318300000000 ] - [ -0.0000535700000000, 0.0004192500000000, 0.0003289700000000 ] - [ 0.0003898600000000, -0.0001632300000000, 0.0003289700000000 ] - [ -0.0003362900000000, -0.0002560100000000, 0.0003289700000000 ] - [ -0.0002878300000000, -0.0002229100000000, 0.0012366300000000 ] - [ 0.0003369600000000, -0.0001378100000000, 0.0012366300000000 ] - [ -0.0000491300000000, 0.0003607200000000, 0.0012366300000000 ] - [ 0.0002917700000000, -0.0002247400000000, 0.0012305500000000 ] - [ -0.0003405200000000, -0.0001403100000000, 0.0012305500000000 ] - [ 0.0000487400000000, 0.0003650500000000, 0.0012305500000000 ] - [ 0.0002866000000000, 0.0002276300000000, 0.0008768600000000 ] - [ -0.0003404300000000, 0.0001343900000000, 0.0008768600000000 ] - [ 0.0000538300000000, -0.0003620200000000, 0.0008768600000000 ] - [ -0.0004655600000000, 0.0003774700000000, 0.0010145700000000 ] - [ 0.0005596800000000, 0.0002144500000000, 0.0010145700000000 ] - [ -0.0000941200000000, -0.0005919200000000, 0.0010145700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002946900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002777900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001038600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000602800000000 ] - [ 0.0000510600000000, 0.0004053600000000, 0.0003306700000000 ] - [ -0.0003765800000000, -0.0001584600000000, 0.0003306700000000 ] - [ 0.0003255200000000, -0.0002469000000000, 0.0003306700000000 ] - [ -0.0000536600000000, 0.0004199900000000, 0.0003333900000000 ] - [ 0.0003905600000000, -0.0001635200000000, 0.0003333900000000 ] - [ -0.0003368900000000, -0.0002564700000000, 0.0003333900000000 ] - [ -0.0002887300000000, -0.0002250100000000, 0.0012245300000000 ] - [ 0.0003392300000000, -0.0001375500000000, 0.0012245300000000 ] - [ -0.0000505000000000, 0.0003625600000000, 0.0012245300000000 ] - [ 0.0002847200000000, -0.0002276700000000, 0.0012320700000000 ] - [ -0.0003395300000000, -0.0001327400000000, 0.0012320700000000 ] - [ 0.0000548000000000, 0.0003604100000000, 0.0012320700000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0032563200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029813700000000 ] - [ 0.0002159800000000, -0.0004453800000000, 0.0021361600000000 ] - [ 0.0002777200000000, 0.0004097300000000, 0.0021361600000000 ] - [ -0.0004937000000000, 0.0000356500000000, 0.0021361600000000 ] - [ 0.0042545700000000, 0.0144174300000000, -0.0150907800000000 ] - [ 0.0103585700000000, -0.0108932800000000, -0.0150907800000000 ] - [ -0.0146131400000000, -0.0035241400000000, -0.0150907800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016730000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016679600000000 ] - [ 0.0001658900000000, -0.0004682400000000, 0.0021620800000000 ] - [ 0.0003225600000000, 0.0003777900000000, 0.0021620800000000 ] - [ -0.0004884600000000, 0.0000904500000000, 0.0021620800000000 ] - [ -0.0001605800000000, -0.0004654400000000, 0.0021546200000000 ] - [ -0.0003227900000000, 0.0003717800000000, 0.0021546200000000 ] - [ 0.0004833700000000, 0.0000936500000000, 0.0021546200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016860700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016569100000000 ] - [ 0.0001463200000000, -0.0004331700000000, 0.0021013400000000 ] - [ 0.0003019700000000, 0.0003433000000000, 0.0021013400000000 ] - [ -0.0004482900000000, 0.0000898600000000, 0.0021013400000000 ] - [ -0.0001671300000000, -0.0004653200000000, 0.0021297500000000 ] - [ -0.0003194100000000, 0.0003774000000000, 0.0021297500000000 ] - [ 0.0004865400000000, 0.0000879200000000, 0.0021297500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002798300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000417600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009721000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007707100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003483600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003071900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001057700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001154100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000154800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002820600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001158900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001220900000000 ] - [ 0.0000899600000000, -0.0002882100000000, -0.0013659200000000 ] - [ 0.0002046200000000, 0.0002220100000000, -0.0013659200000000 ] - [ -0.0002945800000000, 0.0000662000000000, -0.0013659200000000 ] - [ -0.0044075500000000, -0.0106188500000000, 0.0004279400000000 ] - [ -0.0069924100000000, 0.0091264700000000, 0.0004279400000000 ] - [ 0.0113999700000000, 0.0014923700000000, 0.0004279400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0338603600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002772700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007254000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008040400000000 ] - [ 0.0000893000000000, 0.0003358800000000, -0.0002339300000000 ] - [ -0.0003355300000000, -0.0000906000000000, -0.0002339300000000 ] - [ 0.0002462300000000, -0.0002452800000000, -0.0002339300000000 ] - [ -0.0023928800000000, 0.0024331200000000, 0.0055274300000000 ] - [ 0.0033035800000000, 0.0008557400000000, 0.0055274300000000 ] - [ -0.0009107000000000, -0.0032888600000000, 0.0055274300000000 ] - [ 0.0006000300000000, 0.0004894900000000, -0.0007718500000000 ] - [ -0.0007239300000000, 0.0002749000000000, -0.0007718500000000 ] - [ 0.0001238900000000, -0.0007643900000000, -0.0007718500000000 ] - [ 0.0038947400000000, -0.0054545400000000, -0.0039731800000000 ] - [ -0.0066711300000000, -0.0006456700000000, -0.0039731800000000 ] - [ 0.0027764000000000, 0.0061002100000000, -0.0039731800000000 ] - [ 0.0000909300000000, -0.0002843800000000, -0.0013687500000000 ] - [ 0.0002008200000000, 0.0002209400000000, -0.0013687500000000 ] - [ -0.0002917500000000, 0.0000634500000000, -0.0013687500000000 ] - [ -0.0000894700000000, -0.0002870900000000, -0.0013893700000000 ] - [ -0.0002039000000000, 0.0002210200000000, -0.0013893700000000 ] - [ 0.0002933600000000, 0.0000660700000000, -0.0013893700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002940100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002996900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008154300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008058700000000 ] - [ 0.0000605200000000, 0.0003148800000000, -0.0002242100000000 ] - [ -0.0003029600000000, -0.0001050300000000, -0.0002242100000000 ] - [ 0.0002424300000000, -0.0002098500000000, -0.0002242100000000 ] - [ -0.0000598900000000, 0.0003163700000000, -0.0002267200000000 ] - [ 0.0003039300000000, -0.0001063200000000, -0.0002267200000000 ] - [ -0.0002440400000000, -0.0002100500000000, -0.0002267200000000 ] - [ 0.0001890800000000, 0.0003678000000000, -0.0008036400000000 ] - [ -0.0004130700000000, -0.0000201600000000, -0.0008036400000000 ] - [ 0.0002239900000000, -0.0003476500000000, -0.0008036400000000 ] - [ -0.0001860500000000, 0.0003648500000000, -0.0008110100000000 ] - [ 0.0004089900000000, -0.0000213000000000, -0.0008110100000000 ] - [ -0.0002229400000000, -0.0003435500000000, -0.0008110100000000 ] - [ 0.0002677300000000, -0.0001374700000000, -0.0012654000000000 ] - [ -0.0000148100000000, 0.0003005900000000, -0.0012654000000000 ] - [ -0.0002529200000000, -0.0001631200000000, -0.0012654000000000 ] - [ -0.0000939900000000, -0.0002858300000000, -0.0013681900000000 ] - [ -0.0002005400000000, 0.0002243200000000, -0.0013681900000000 ] - [ 0.0002945300000000, 0.0000615100000000, -0.0013681900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002999300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002744800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008048000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008693200000000 ] - [ 0.0000614000000000, 0.0003298100000000, -0.0002285800000000 ] - [ -0.0003163200000000, -0.0001117300000000, -0.0002285800000000 ] - [ 0.0002549200000000, -0.0002180700000000, -0.0002285800000000 ] - [ -0.0000592300000000, 0.0003170800000000, -0.0002216600000000 ] - [ 0.0003042100000000, -0.0001072400000000, -0.0002216600000000 ] - [ -0.0002449800000000, -0.0002098400000000, -0.0002216600000000 ] - [ 0.0001862500000000, 0.0003708600000000, -0.0008046200000000 ] - [ -0.0004143000000000, -0.0000241400000000, -0.0008046200000000 ] - [ 0.0002280500000000, -0.0003467300000000, -0.0008046200000000 ] - [ -0.0001912000000000, 0.0003616700000000, -0.0008076800000000 ] - [ 0.0004088200000000, -0.0000152500000000, -0.0008076800000000 ] - [ -0.0002176200000000, -0.0003464200000000, -0.0008076800000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0077242100000000, 0.0071790500000000, -0.0004315200000000 ] - [ 0.0070703300000000, -0.0000489000000000, -0.0004240400000000 ] - [ 0.0000855800000000, -0.0006131700000000, 0.0003406100000000 ] - [ 0.0004508400000000, 0.0003624500000000, 0.0003870200000000 ] - [ -0.0005052400000000, 0.0002668800000000, 0.0003767700000000 ] - [ 0.0167067000000000, -0.0228702900000000, 0.0121114600000000 ] - [ 0.0528659600000000, -0.0227954700000000, -0.0283305200000000 ] - [ 0.0385176200000000, 0.0124523700000000, 0.0187569500000000 ] - [ -0.0000152500000000, 0.0000265800000000, -0.0004502100000000 ] - [ -0.0000013600000000, 0.0000009300000000, -0.0004491800000000 ] - [ 0.0000635800000000, -0.0005874200000000, 0.0003996100000000 ] - [ 0.0004793400000000, 0.0003497000000000, 0.0003988200000000 ] - [ -0.0005394600000000, 0.0002386700000000, 0.0003993400000000 ] - [ -0.0000601000000000, -0.0005854800000000, 0.0003922500000000 ] - [ -0.0004743000000000, 0.0003424200000000, 0.0003937800000000 ] - [ 0.0005353500000000, 0.0002393200000000, 0.0003903200000000 ] - [ -0.0000005400000000, -0.0000004300000000, -0.0004264400000000 ] - [ 0.0000131800000000, -0.0000017800000000, -0.0004494700000000 ] - [ 0.0000463700000000, -0.0005831900000000, 0.0002550100000000 ] - [ 0.0004213200000000, 0.0003296500000000, 0.0003707800000000 ] - [ -0.0005859600000000, 0.0002646600000000, 0.0005500500000000 ] - [ -0.0000652900000000, -0.0005860900000000, 0.0003723200000000 ] - [ -0.0004760800000000, 0.0003481200000000, 0.0003664300000000 ] - [ 0.0005385100000000, 0.0002353400000000, 0.0003688400000000 ] - [ -0.0000008900000000, -0.0000011600000000, -0.0000955800000000 ] - [ -0.0001830500000000, -0.0003931100000000, -0.0000250200000000 ] - [ -0.0004275300000000, 0.0004517200000000, -0.0004779300000000 ] - [ -0.0002017000000000, -0.0006858300000000, -0.0004545200000000 ] - [ 0.0000000800000000, -0.0000006400000000, -0.0000265600000000 ] - [ -0.0000004800000000, 0.0000006800000000, -0.0000647400000000 ] - [ -0.0000002000000000, 0.0000009900000000, -0.0004592000000000 ] - [ 0.0000015100000000, -0.0000018000000000, -0.0004695400000000 ] - [ 0.0006240500000000, 0.0001063800000000, -0.0000739700000000 ] - [ -0.0000003700000000, 0.0000004600000000, -0.0000951600000000 ] - [ -0.0000002500000000, -0.0000006900000000, -0.0004704400000000 ] - [ -0.0000009400000000, -0.0000011900000000, -0.0004763300000000 ] - [ 0.0002520700000000, 0.0000335500000000, -0.0001965000000000 ] - [ -0.0001969300000000, 0.0002172200000000, -0.0001957600000000 ] - [ -0.0001072600000000, -0.0002921700000000, -0.0001279800000000 ] - [ -0.0007545400000000, -0.0002296400000000, 0.0065422400000000 ] - [ 0.0008154800000000, 0.0003493500000000, -0.0158246700000000 ] - [ -0.0002226300000000, 0.0005603100000000, 0.0088607100000000 ] - [ 0.0020268800000000, -0.0071177100000000, -0.0000080500000000 ] - [ 0.0000265300000000, 0.0000006500000000, -0.0000055800000000 ] - [ -0.2218852000000000, -0.0005675000000000, -0.0018462000000000 ] - [ 0.0000195600000000, -0.0000075700000000, -0.0004531800000000 ] - [ 0.0000216600000000, 0.0003716500000000, 0.0000563300000000 ] - [ -0.0004074400000000, -0.0001486200000000, 0.0000771500000000 ] - [ 0.0002344100000000, -0.0002137400000000, 0.0000268000000000 ] - [ 0.0122874400000000, 0.0513221500000000, -0.0082948000000000 ] - [ 0.0059590700000000, -0.0204475400000000, -0.0046176800000000 ] - [ 0.0713691000000000, 0.0092205800000000, 0.0132519600000000 ] - [ -0.0008143400000000, 0.0002174900000000, 0.0001451000000000 ] - [ -0.0006188200000000, -0.0001808600000000, 0.0003667000000000 ] - [ -0.0008243600000000, -0.0001152100000000, 0.0001440700000000 ] - [ 0.0162298700000000, -0.0067333200000000, 0.0158349000000000 ] - [ 0.0083956100000000, 0.0075242800000000, -0.0101840400000000 ] - [ -0.0002846700000000, -0.0063962800000000, -0.0052068600000000 ] - [ 0.0002797300000000, 0.0000498500000000, -0.0001725100000000 ] - [ -0.0001835600000000, 0.0002169700000000, -0.0001721800000000 ] - [ -0.0000964600000000, -0.0002665900000000, -0.0001723200000000 ] - [ -0.0002786300000000, 0.0000472100000000, -0.0001940800000000 ] - [ 0.0001801400000000, 0.0002166800000000, -0.0001945200000000 ] - [ 0.0000982900000000, -0.0002649900000000, -0.0001941300000000 ] - [ 0.0000005700000000, 0.0000031400000000, 0.0000000700000000 ] - [ -0.0000017400000000, -0.0000014500000000, -0.0000035800000000 ] - [ -0.0000002100000000, -0.0000002700000000, -0.0004625000000000 ] - [ -0.0000002500000000, -0.0000004400000000, -0.0004546400000000 ] - [ 0.0000541000000000, 0.0003683900000000, 0.0000514500000000 ] - [ -0.0003468500000000, -0.0001359900000000, 0.0000512300000000 ] - [ 0.0002883500000000, -0.0002314700000000, 0.0000511200000000 ] - [ -0.0000550300000000, 0.0003696100000000, 0.0000490800000000 ] - [ 0.0003458900000000, -0.0001363900000000, 0.0000485800000000 ] - [ -0.0002933500000000, -0.0002320000000000, 0.0000489400000000 ] - [ -0.0000523100000000, 0.0000690500000000, 0.0002234300000000 ] - [ -0.0000330100000000, -0.0000801600000000, 0.0002239300000000 ] - [ 0.0000859700000000, 0.0000101400000000, 0.0002229500000000 ] - [ 0.0000563100000000, 0.0000666500000000, 0.0002142400000000 ] - [ 0.0000317000000000, -0.0000832400000000, 0.0002194100000000 ] - [ -0.0000858000000000, 0.0000093000000000, 0.0002165900000000 ] - [ 0.0006657800000000, -0.0004180200000000, -0.0001051300000000 ] - [ 0.0000500500000000, 0.0000607800000000, -0.0002392600000000 ] - [ 0.0004792500000000, -0.0004311000000000, -0.0002492300000000 ] - [ -0.0002825600000000, 0.0000474300000000, -0.0001784100000000 ] - [ 0.0001854500000000, 0.0002191700000000, -0.0001662300000000 ] - [ 0.0000974800000000, -0.0002684000000000, -0.0001725400000000 ] - [ 0.0000025300000000, 0.0000004600000000, -0.0000048700000000 ] - [ -0.0000026800000000, 0.0000658800000000, -0.0000006800000000 ] - [ -0.0000003600000000, 0.0000003700000000, -0.0004534600000000 ] - [ 0.0000195900000000, -0.0000083500000000, -0.0004632900000000 ] - [ 0.0000590900000000, 0.0003670500000000, 0.0000344000000000 ] - [ -0.0003013000000000, -0.0001379100000000, 0.0000456200000000 ] - [ 0.0003149200000000, -0.0002686500000000, 0.0000667900000000 ] - [ -0.0000558200000000, 0.0003709000000000, 0.0000535800000000 ] - [ 0.0003461800000000, -0.0001371000000000, 0.0000535100000000 ] - [ -0.0002926000000000, -0.0002318700000000, 0.0000530300000000 ] - [ -0.0000432600000000, 0.0000690600000000, 0.0002072600000000 ] - [ -0.0000073800000000, -0.0000951200000000, 0.0002268900000000 ] - [ 0.0000927900000000, -0.0000063700000000, 0.0002126900000000 ] - [ 0.0000502300000000, 0.0000638900000000, 0.0002183500000000 ] - [ 0.0000294200000000, -0.0000746700000000, 0.0002181100000000 ] - [ -0.0000792200000000, 0.0000117800000000, 0.0002176900000000 ]- atom: 45 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0077707500000000, -0.0073153800000000, -0.0004305900000000 ] - [ -0.0072307100000000, 0.0000924800000000, -0.0004239100000000 ] - [ 0.0000445000000000, -0.0005561500000000, 0.0003940000000000 ] - [ 0.0005010900000000, 0.0003376400000000, 0.0003473900000000 ] - [ -0.0005724900000000, 0.0002062200000000, 0.0003624400000000 ] - [ -0.0164124500000000, 0.0205399900000000, -0.0110714600000000 ] - [ -0.0586469300000000, 0.0239264500000000, 0.0308966700000000 ] - [ -0.0366155600000000, -0.0103093300000000, -0.0172582100000000 ] - [ 0.0000126100000000, -0.0000257400000000, -0.0004495400000000 ] - [ -0.0000010500000000, 0.0000007200000000, -0.0004483900000000 ] - [ 0.0000637300000000, -0.0005878100000000, 0.0003996200000000 ] - [ 0.0004802400000000, 0.0003496200000000, 0.0003994900000000 ] - [ -0.0005389800000000, 0.0002392000000000, 0.0003998200000000 ] - [ -0.0000589500000000, -0.0005859400000000, 0.0003913400000000 ] - [ -0.0004744800000000, 0.0003421100000000, 0.0003915300000000 ] - [ 0.0005356200000000, 0.0002395400000000, 0.0003937200000000 ] - [ 0.0000011600000000, -0.0000013900000000, -0.0004258000000000 ] - [ -0.0000165600000000, 0.0000034200000000, -0.0004487600000000 ] - [ 0.0000780000000000, -0.0005861700000000, 0.0005317600000000 ] - [ 0.0005335900000000, 0.0003630500000000, 0.0004081500000000 ] - [ -0.0004827600000000, 0.0002115400000000, 0.0002364100000000 ] - [ -0.0000639100000000, -0.0005873800000000, 0.0003662300000000 ] - [ -0.0004742200000000, 0.0003476100000000, 0.0003722200000000 ] - [ 0.0005399200000000, 0.0002365300000000, 0.0003688200000000 ] - [ 0.0000003300000000, 0.0000010700000000, -0.0000945400000000 ] - [ 0.0001922900000000, 0.0004053900000000, -0.0000237600000000 ] - [ 0.0004376400000000, -0.0004651700000000, -0.0004780200000000 ] - [ 0.0002102300000000, 0.0006958400000000, -0.0004546000000000 ] - [ -0.0000015000000000, -0.0000005700000000, -0.0000261600000000 ] - [ 0.0000002900000000, 0.0000006100000000, -0.0000640600000000 ] - [ 0.0000005200000000, 0.0000008700000000, -0.0004597900000000 ] - [ -0.0000029800000000, -0.0000005800000000, -0.0004697400000000 ] - [ -0.0006374100000000, -0.0000990700000000, -0.0000736800000000 ] - [ 0.0000002500000000, -0.0000009900000000, -0.0000948500000000 ] - [ 0.0000009300000000, 0.0000026200000000, -0.0004709200000000 ] - [ -0.0000002500000000, -0.0000010400000000, -0.0004767200000000 ] - [ 0.0003121800000000, 0.0000647100000000, -0.0001486900000000 ] - [ -0.0001691400000000, 0.0002214300000000, -0.0001499400000000 ] - [ -0.0000881400000000, -0.0002433900000000, -0.0002208400000000 ] - [ 0.0001758000000000, 0.0003544800000000, -0.0070552000000000 ] - [ -0.0003722300000000, 0.0000816700000000, 0.0158973900000000 ] - [ 0.0003876000000000, -0.0011130200000000, -0.0092598600000000 ] - [ -0.0022582400000000, 0.0073705000000000, -0.0000081700000000 ] - [ -0.0000250900000000, -0.0000061000000000, -0.0000054500000000 ] - [ 0.2255312000000000, -0.0005670300000000, -0.0018704300000000 ] - [ -0.0000200300000000, 0.0000077300000000, -0.0004538600000000 ] - [ 0.0000880900000000, 0.0003679300000000, 0.0000502100000000 ] - [ -0.0002884900000000, -0.0001264700000000, 0.0000295800000000 ] - [ 0.0003472400000000, -0.0002500600000000, 0.0000795300000000 ] - [ -0.0123985200000000, -0.0512191900000000, 0.0084611600000000 ] - [ -0.0054571200000000, 0.0207637500000000, 0.0048359600000000 ] - [ -0.0711801500000000, -0.0099497000000000, -0.0129607800000000 ] - [ 0.0007303900000000, -0.0000999600000000, 0.0002951100000000 ] - [ 0.0005750000000000, 0.0000280000000000, 0.0000633400000000 ] - [ 0.0009977600000000, 0.0001397900000000, 0.0002975500000000 ] - [ -0.0163653700000000, 0.0070090400000000, -0.0158244600000000 ] - [ -0.0084075600000000, -0.0076525800000000, 0.0105487200000000 ] - [ 0.0000620800000000, 0.0065653800000000, 0.0057158600000000 ] - [ 0.0002795400000000, 0.0000488400000000, -0.0001727100000000 ] - [ -0.0001822200000000, 0.0002169200000000, -0.0001720400000000 ] - [ -0.0000962000000000, -0.0002657000000000, -0.0001726700000000 ] - [ -0.0002776800000000, 0.0000467500000000, -0.0001935600000000 ] - [ 0.0001797900000000, 0.0002167700000000, -0.0001938500000000 ] - [ 0.0000990300000000, -0.0002638500000000, -0.0001944100000000 ] - [ 0.0000004100000000, 0.0000033000000000, 0.0000001300000000 ] - [ -0.0000012800000000, -0.0000015900000000, -0.0000036900000000 ] - [ 0.0000007300000000, 0.0000002600000000, -0.0004631500000000 ] - [ 0.0000003800000000, -0.0000005300000000, -0.0004550100000000 ] - [ 0.0000547500000000, 0.0003680100000000, 0.0000511100000000 ] - [ -0.0003458100000000, -0.0001355800000000, 0.0000509000000000 ] - [ 0.0002881400000000, -0.0002316600000000, 0.0000507300000000 ] - [ -0.0000549700000000, 0.0003687100000000, 0.0000484900000000 ] - [ 0.0003465200000000, -0.0001356000000000, 0.0000483300000000 ] - [ -0.0002926100000000, -0.0002314800000000, 0.0000484700000000 ] - [ -0.0000522000000000, 0.0000681700000000, 0.0002232500000000 ] - [ -0.0000315900000000, -0.0000801400000000, 0.0002237400000000 ] - [ 0.0000859600000000, 0.0000113100000000, 0.0002228600000000 ] - [ 0.0000551000000000, 0.0000687900000000, 0.0002195500000000 ] - [ 0.0000317000000000, -0.0000793800000000, 0.0002135600000000 ] - [ -0.0000857500000000, 0.0000172300000000, 0.0002171900000000 ] - [ -0.0001216600000000, 0.0005134600000000, -0.0002945300000000 ] - [ -0.0004126200000000, 0.0003760500000000, -0.0001457100000000 ] - [ -0.0006806700000000, -0.0000859800000000, -0.0001539300000000 ] - [ -0.0002811200000000, 0.0000506600000000, -0.0001667200000000 ] - [ 0.0001814500000000, 0.0002194100000000, -0.0001797200000000 ] - [ 0.0000998400000000, -0.0002685100000000, -0.0001717700000000 ] - [ 0.0000031000000000, 0.0000019100000000, -0.0000049900000000 ] - [ -0.0000018200000000, -0.0000691000000000, -0.0000007100000000 ] - [ 0.0000002500000000, -0.0000000600000000, -0.0004539600000000 ] - [ -0.0000198000000000, 0.0000070000000000, -0.0004637800000000 ] - [ 0.0000497200000000, 0.0003717600000000, 0.0000637200000000 ] - [ -0.0003908500000000, -0.0001332500000000, 0.0000520200000000 ] - [ 0.0002635400000000, -0.0001948300000000, 0.0000299500000000 ] - [ -0.0000553400000000, 0.0003692700000000, 0.0000529900000000 ] - [ 0.0003458100000000, -0.0001354100000000, 0.0000527000000000 ] - [ -0.0002933500000000, -0.0002326400000000, 0.0000531700000000 ] - [ -0.0000646500000000, 0.0000677700000000, 0.0002252100000000 ] - [ -0.0000555400000000, -0.0000683800000000, 0.0002044800000000 ] - [ 0.0000807300000000, 0.0000324500000000, 0.0002175500000000 ] - [ 0.0000507900000000, 0.0000633700000000, 0.0002169100000000 ] - [ 0.0000286000000000, -0.0000747200000000, 0.0002181700000000 ] - [ -0.0000779000000000, 0.0000134600000000, 0.0002189200000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008915900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015796300000000 ] - [ -0.0000731200000000, -0.0007852400000000, -0.0016947000000000 ] - [ 0.0007166000000000, 0.0003292900000000, -0.0016947000000000 ] - [ -0.0006434800000000, 0.0004559500000000, -0.0016947000000000 ] - [ 0.0103206900000000, -0.0302417600000000, 0.0285092600000000 ] - [ -0.0313504800000000, 0.0061829000000000, 0.0285092600000000 ] - [ 0.0210297900000000, 0.0240588600000000, 0.0285092600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029018100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029041300000000 ] - [ -0.0000588800000000, -0.0007347100000000, -0.0016532700000000 ] - [ 0.0006657200000000, 0.0003163600000000, -0.0016532700000000 ] - [ -0.0006068400000000, 0.0004183500000000, -0.0016532700000000 ] - [ 0.0000632400000000, -0.0007316900000000, -0.0016627800000000 ] - [ -0.0006652800000000, 0.0003110800000000, -0.0016627800000000 ] - [ 0.0006020400000000, 0.0004206100000000, -0.0016627800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028827300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029112600000000 ] - [ 0.0000297600000000, -0.0007797200000000, -0.0016855400000000 ] - [ 0.0006603800000000, 0.0004156300000000, -0.0016855400000000 ] - [ -0.0006901300000000, 0.0003640900000000, -0.0016855400000000 ] - [ 0.0000571000000000, -0.0007322800000000, -0.0016854800000000 ] - [ -0.0006627200000000, 0.0003166900000000, -0.0016854800000000 ] - [ 0.0006056200000000, 0.0004155900000000, -0.0016854800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005535400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003152900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010535400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005636400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004894600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005290700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008966100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009103800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020608000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005658700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009118400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009143900000000 ] - [ 0.0005096700000000, 0.0004306000000000, 0.0012309700000000 ] - [ -0.0006277400000000, 0.0002260900000000, 0.0012309700000000 ] - [ 0.0001180700000000, -0.0006566800000000, 0.0012309700000000 ] - [ 0.0014220900000000, -0.0030545300000000, 0.0022710400000000 ] - [ -0.0033563500000000, 0.0002957000000000, 0.0022710400000000 ] - [ 0.0019342500000000, 0.0027588300000000, 0.0022710400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011394200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004036600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0731292500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000815900000000 ] - [ 0.0000658900000000, 0.0004196200000000, 0.0003862600000000 ] - [ -0.0003963500000000, -0.0001527500000000, 0.0003862600000000 ] - [ 0.0003304600000000, -0.0002668700000000, 0.0003862600000000 ] - [ -0.0033733900000000, -0.0003622500000000, -0.0059794600000000 ] - [ 0.0013729800000000, 0.0031025600000000, -0.0059794600000000 ] - [ 0.0020004100000000, -0.0027403100000000, -0.0059794600000000 ] - [ -0.0006059300000000, -0.0005285700000000, 0.0012347600000000 ] - [ 0.0007607200000000, -0.0002604700000000, 0.0012347600000000 ] - [ -0.0001547900000000, 0.0007890400000000, 0.0012347600000000 ] - [ 0.0128375800000000, -0.0013165300000000, -0.0009020300000000 ] - [ -0.0075589400000000, -0.0104594100000000, -0.0009020300000000 ] - [ -0.0052786400000000, 0.0117759400000000, -0.0009020300000000 ] - [ 0.0004968500000000, 0.0004344300000000, 0.0012246100000000 ] - [ -0.0006246500000000, 0.0002130700000000, 0.0012246100000000 ] - [ 0.0001278000000000, -0.0006475000000000, 0.0012246100000000 ] - [ -0.0004957200000000, 0.0004314500000000, 0.0012068100000000 ] - [ 0.0006215000000000, 0.0002135800000000, 0.0012068100000000 ] - [ -0.0001257800000000, -0.0006450300000000, 0.0012068100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003549900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003499000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000540400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000426800000000 ] - [ 0.0000538200000000, 0.0004260600000000, 0.0003806600000000 ] - [ -0.0003958800000000, -0.0001664200000000, 0.0003806600000000 ] - [ 0.0003420600000000, -0.0002596400000000, 0.0003806600000000 ] - [ -0.0000526600000000, 0.0004272700000000, 0.0003780100000000 ] - [ 0.0003963600000000, -0.0001680300000000, 0.0003780100000000 ] - [ -0.0003436900000000, -0.0002592400000000, 0.0003780100000000 ] - [ -0.0003291400000000, -0.0002744500000000, 0.0014151300000000 ] - [ 0.0004022500000000, -0.0001478200000000, 0.0014151300000000 ] - [ -0.0000731100000000, 0.0004222700000000, 0.0014151300000000 ] - [ 0.0003351700000000, -0.0002772700000000, 0.0014098300000000 ] - [ -0.0004077100000000, -0.0001516300000000, 0.0014098300000000 ] - [ 0.0000725400000000, 0.0004289000000000, 0.0014098300000000 ] - [ 0.0002536000000000, 0.0007683600000000, 0.0012426900000000 ] - [ -0.0007922200000000, -0.0001645600000000, 0.0012426900000000 ] - [ 0.0005386200000000, -0.0006038000000000, 0.0012426900000000 ] - [ -0.0004993300000000, 0.0004367000000000, 0.0012241000000000 ] - [ 0.0006278600000000, 0.0002140800000000, 0.0012241000000000 ] - [ -0.0001285300000000, -0.0006507900000000, 0.0012241000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003472500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003492100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000420800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000905600000000 ] - [ 0.0001071500000000, 0.0003749400000000, 0.0004000300000000 ] - [ -0.0003782900000000, -0.0000946800000000, 0.0004000300000000 ] - [ 0.0002711300000000, -0.0002802700000000, 0.0004000300000000 ] - [ -0.0000525600000000, 0.0004277100000000, 0.0003824400000000 ] - [ 0.0003966800000000, -0.0001683400000000, 0.0003824400000000 ] - [ -0.0003441300000000, -0.0002593700000000, 0.0003824400000000 ] - [ -0.0003437700000000, -0.0002854700000000, 0.0014095400000000 ] - [ 0.0004191100000000, -0.0001549800000000, 0.0014095400000000 ] - [ -0.0000753400000000, 0.0004404500000000, 0.0014095400000000 ] - [ 0.0003260700000000, -0.0002793100000000, 0.0014109000000000 ] - [ -0.0004049200000000, -0.0001427300000000, 0.0014109000000000 ] - [ 0.0000788500000000, 0.0004220400000000, 0.0014109000000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000094400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007377800000000 ] - [ 0.0001984300000000, -0.0003937500000000, 0.0024550700000000 ] - [ 0.0002417800000000, 0.0003687200000000, 0.0024550700000000 ] - [ -0.0004402100000000, 0.0000250300000000, 0.0024550700000000 ] - [ -0.0103839400000000, 0.0288846000000000, -0.0281246400000000 ] - [ 0.0302067700000000, -0.0054495500000000, -0.0281246400000000 ] - [ -0.0198228300000000, -0.0234350600000000, -0.0281246400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020393200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020449300000000 ] - [ 0.0001850500000000, -0.0004442700000000, 0.0024742000000000 ] - [ 0.0002922200000000, 0.0003824000000000, 0.0024742000000000 ] - [ -0.0004772700000000, 0.0000618700000000, 0.0024742000000000 ] - [ -0.0001805800000000, -0.0004410400000000, 0.0024663800000000 ] - [ -0.0002916700000000, 0.0003769000000000, 0.0024663800000000 ] - [ 0.0004722400000000, 0.0000641400000000, 0.0024663800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020631800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020414700000000 ] - [ 0.0000909300000000, -0.0003915500000000, 0.0024877400000000 ] - [ 0.0002936300000000, 0.0002745200000000, 0.0024877400000000 ] - [ -0.0003845500000000, 0.0001170300000000, 0.0024877400000000 ] - [ -0.0001865700000000, -0.0004415700000000, 0.0024431300000000 ] - [ -0.0002891200000000, 0.0003823500000000, 0.0024431300000000 ] - [ 0.0004756900000000, 0.0000592100000000, 0.0024431300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003528700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002628900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000837200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014922300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004127000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003800800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000362900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000412100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023825800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003530800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000435900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000537000000000 ] - [ 0.0000490300000000, -0.0003419900000000, -0.0015850900000000 ] - [ 0.0002716600000000, 0.0002134600000000, -0.0015850900000000 ] - [ -0.0003206900000000, 0.0001285400000000, -0.0015850900000000 ] - [ -0.0019438500000000, 0.0030756700000000, -0.0025029200000000 ] - [ 0.0036355400000000, 0.0001455800000000, -0.0025029200000000 ] - [ -0.0016916900000000, -0.0032212600000000, -0.0025029200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011808900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004067200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0733553900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008314200000000 ] - [ 0.0000456600000000, 0.0003168500000000, -0.0002746800000000 ] - [ -0.0002972300000000, -0.0001188800000000, -0.0002746800000000 ] - [ 0.0002515700000000, -0.0001979700000000, -0.0002746800000000 ] - [ 0.0033132600000000, 0.0011825400000000, 0.0060578600000000 ] - [ -0.0006325200000000, -0.0034606400000000, 0.0060578600000000 ] - [ -0.0026807400000000, 0.0022781000000000, 0.0060578600000000 ] - [ 0.0005046800000000, 0.0006505600000000, -0.0008136400000000 ] - [ -0.0008157400000000, 0.0001117900000000, -0.0008136400000000 ] - [ 0.0003110600000000, -0.0007623500000000, -0.0008136400000000 ] - [ -0.0129008900000000, 0.0014809500000000, 0.0013638200000000 ] - [ 0.0077329800000000, 0.0104320300000000, 0.0013638200000000 ] - [ 0.0051679100000000, -0.0119129700000000, 0.0013638200000000 ] - [ 0.0000582700000000, -0.0003412700000000, -0.0015850600000000 ] - [ 0.0002664100000000, 0.0002211000000000, -0.0015850600000000 ] - [ -0.0003246800000000, 0.0001201700000000, -0.0015850600000000 ] - [ -0.0000570700000000, -0.0003434800000000, -0.0016059900000000 ] - [ -0.0002689200000000, 0.0002211700000000, -0.0016059900000000 ] - [ 0.0003260000000000, 0.0001223100000000, -0.0016059900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003499100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003546700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008776600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008675100000000 ] - [ 0.0000600600000000, 0.0003070100000000, -0.0002752700000000 ] - [ -0.0002959100000000, -0.0001014900000000, -0.0002752700000000 ] - [ 0.0002358500000000, -0.0002055200000000, -0.0002752700000000 ] - [ -0.0000589400000000, 0.0003086700000000, -0.0002782400000000 ] - [ 0.0002967900000000, -0.0001032900000000, -0.0002782400000000 ] - [ -0.0002378500000000, -0.0002053800000000, -0.0002782400000000 ] - [ 0.0002321700000000, 0.0004220800000000, -0.0009849200000000 ] - [ -0.0004816100000000, -0.0000099700000000, -0.0009849200000000 ] - [ 0.0002494400000000, -0.0004121000000000, -0.0009849200000000 ] - [ -0.0002300300000000, 0.0004183700000000, -0.0009930700000000 ] - [ 0.0004773300000000, -0.0000099700000000, -0.0009930700000000 ] - [ -0.0002473000000000, -0.0004084000000000, -0.0009930700000000 ] - [ 0.0002958400000000, -0.0006882100000000, -0.0016435800000000 ] - [ 0.0004480900000000, 0.0006003100000000, -0.0016435800000000 ] - [ -0.0007439200000000, 0.0000879000000000, -0.0016435800000000 ] - [ -0.0000599500000000, -0.0003454300000000, -0.0015855200000000 ] - [ -0.0002691700000000, 0.0002246300000000, -0.0015855200000000 ] - [ 0.0003291300000000, 0.0001207900000000, -0.0015855200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003544700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003469400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008655900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008402200000000 ] - [ 0.0000046300000000, 0.0003605100000000, -0.0002980000000000 ] - [ -0.0003145200000000, -0.0001762500000000, -0.0002980000000000 ] - [ 0.0003098900000000, -0.0001842600000000, -0.0002980000000000 ] - [ -0.0000585700000000, 0.0003097100000000, -0.0002722100000000 ] - [ 0.0002975000000000, -0.0001041300000000, -0.0002722100000000 ] - [ -0.0002389300000000, -0.0002055800000000, -0.0002722100000000 ] - [ 0.0002418600000000, 0.0004317200000000, -0.0009934000000000 ] - [ -0.0004948100000000, -0.0000064100000000, -0.0009934000000000 ] - [ 0.0002529500000000, -0.0004253100000000, -0.0009934000000000 ] - [ -0.0002345100000000, 0.0004159600000000, -0.0009896600000000 ] - [ 0.0004774800000000, -0.0000048900000000, -0.0009896600000000 ] - [ -0.0002429700000000, -0.0004110700000000, -0.0009896600000000 ]- atom: 47 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000067300000000, 0.0000342100000000, -0.0004160600000000 ] - [ 0.0021373600000000, -0.0042907500000000, -0.0011232800000000 ] - [ -0.0345333000000000, 0.0014135300000000, -0.0029875500000000 ] - [ 0.0146816400000000, -0.0058619100000000, 0.0016584800000000 ] - [ 0.0146799600000000, 0.0035545100000000, -0.0014617900000000 ] - [ -0.0000740100000000, -0.0006601300000000, 0.0005025000000000 ] - [ -0.0005650100000000, 0.0003777000000000, 0.0001057400000000 ] - [ 0.0005541400000000, 0.0001602200000000, 0.0005411300000000 ] - [ 0.0015819600000000, 0.0047744900000000, -0.0001138400000000 ] - [ 0.0000113900000000, -0.0000252200000000, -0.0004199700000000 ] - [ 0.0000657800000000, -0.0005858300000000, 0.0004251800000000 ] - [ 0.0004780300000000, 0.0003502700000000, 0.0004218700000000 ] - [ -0.0005391900000000, 0.0002366200000000, 0.0004232500000000 ] - [ -0.0000258000000000, -0.0005437300000000, 0.0003362700000000 ] - [ -0.0004443300000000, 0.0004155900000000, 0.0003350200000000 ] - [ 0.0004726200000000, 0.0001504500000000, 0.0006353700000000 ] - [ 0.0000007400000000, -0.0000005400000000, -0.0003974800000000 ] - [ -0.0000012000000000, 0.0000000300000000, -0.0004201200000000 ] - [ 0.0000622400000000, -0.0005831800000000, 0.0004123100000000 ] - [ 0.0004746800000000, 0.0003456100000000, 0.0004159100000000 ] - [ -0.0005337400000000, 0.0002373400000000, 0.0004188900000000 ] - [ -0.0000662600000000, -0.0005859600000000, 0.0003935200000000 ] - [ -0.0004733600000000, 0.0003487500000000, 0.0003934200000000 ] - [ 0.0005392700000000, 0.0002340200000000, 0.0003928600000000 ] - [ -0.0002042000000000, 0.0001276400000000, -0.0002790200000000 ] - [ 0.0000465500000000, 0.0004621500000000, -0.0005395100000000 ] - [ -0.0001558000000000, -0.0000131900000000, -0.0002625500000000 ] - [ -0.0000027400000000, -0.0000029000000000, -0.0004556600000000 ] - [ -0.0000006000000000, -0.0000005400000000, -0.0000174400000000 ] - [ -0.0000018700000000, 0.0000015200000000, -0.0000584700000000 ] - [ 0.0000024900000000, 0.0000028700000000, -0.0004541600000000 ] - [ 0.0000284100000000, -0.0004626000000000, -0.0002449600000000 ] - [ 0.0000035400000000, -0.0000006000000000, -0.0000588200000000 ] - [ 0.0000003000000000, -0.0000002700000000, -0.0000895800000000 ] - [ 0.0000004100000000, 0.0000011200000000, -0.0004654700000000 ] - [ -0.0000003300000000, -0.0000009600000000, -0.0004715700000000 ] - [ 0.0058439100000000, -0.0032010200000000, -0.0087942900000000 ] - [ -0.0024187400000000, 0.0014319000000000, 0.0030972000000000 ] - [ 0.0000791100000000, -0.0026870300000000, 0.0036294700000000 ] - [ -0.0003114800000000, 0.0002926900000000, -0.0002069600000000 ] - [ 0.0003782700000000, 0.0004435900000000, 0.0004124700000000 ] - [ -0.0000816400000000, -0.0001139800000000, -0.0003239100000000 ] - [ 0.0000506400000000, -0.0000477200000000, -0.0000373900000000 ] - [ 0.0130337400000000, 0.0270589900000000, -0.0023728100000000 ] - [ -0.0000321800000000, -0.0000050400000000, -0.0004464800000000 ] - [ 0.0123284900000000, -0.0242962700000000, 0.0028665500000000 ] - [ -0.0685157000000000, -0.0005849400000000, 0.0021737900000000 ] - [ 0.0198425100000000, -0.0032386900000000, -0.0003269900000000 ] - [ 0.0210909700000000, 0.0024929500000000, 0.0018085300000000 ] - [ -0.0000475200000000, 0.0004823800000000, 0.0000926300000000 ] - [ 0.0003285200000000, -0.0001273700000000, 0.0000516500000000 ] - [ -0.0002439200000000, -0.0002127400000000, 0.0000421600000000 ] - [ -0.0000119300000000, 0.0026016500000000, -0.0020717900000000 ] - [ -0.0022883900000000, -0.0016128400000000, -0.0019269900000000 ] - [ 0.0031677800000000, 0.0031971700000000, 0.0062294500000000 ] - [ 0.0000556200000000, 0.0000640100000000, 0.0002542800000000 ] - [ 0.0000385300000000, -0.0000702600000000, 0.0001916800000000 ] - [ -0.0000918700000000, 0.0000039600000000, 0.0001801700000000 ] - [ 0.0002768900000000, 0.0000441300000000, -0.0001894100000000 ] - [ -0.0001769400000000, 0.0002173200000000, -0.0001881800000000 ] - [ -0.0000991900000000, -0.0002612100000000, -0.0001886700000000 ] - [ -0.0002919600000000, 0.0000429300000000, -0.0001603000000000 ] - [ 0.0001541400000000, 0.0001982200000000, -0.0002181300000000 ] - [ 0.0000968600000000, -0.0002609900000000, -0.0002495500000000 ] - [ -0.0000257700000000, 0.0000101400000000, -0.0000059800000000 ] - [ -0.0000013400000000, -0.0000012600000000, -0.0000075400000000 ] - [ 0.0000054400000000, 0.0000247600000000, -0.0004134800000000 ] - [ 0.0000000100000000, -0.0000008400000000, -0.0004596900000000 ] - [ 0.0000546300000000, 0.0003672000000000, 0.0000475500000000 ] - [ -0.0003452700000000, -0.0001349700000000, 0.0000472500000000 ] - [ 0.0002875200000000, -0.0002314500000000, 0.0000472000000000 ] - [ -0.0000466700000000, 0.0002626800000000, -0.0000207100000000 ] - [ 0.0003783400000000, -0.0001563000000000, 0.0000536100000000 ] - [ -0.0003150400000000, -0.0002532500000000, 0.0000633500000000 ] - [ -0.0000507000000000, 0.0000724800000000, 0.0002109000000000 ] - [ -0.0000386600000000, -0.0000762200000000, 0.0002096600000000 ] - [ 0.0000871400000000, 0.0000075300000000, 0.0002059000000000 ] - [ -0.0002773700000000, -0.0003984600000000, 0.0001349600000000 ] - [ 0.0000801300000000, -0.0005470800000000, -0.0002409800000000 ] - [ -0.0001450800000000, -0.0004073800000000, 0.0003609100000000 ] - [ 0.0002782800000000, 0.0000414600000000, -0.0002044200000000 ] - [ -0.0001739500000000, 0.0002148600000000, -0.0002102700000000 ] - [ -0.0001017900000000, -0.0002586700000000, -0.0002131900000000 ] - [ -0.0002789400000000, 0.0000437600000000, -0.0001886900000000 ] - [ 0.0001777600000000, 0.0002195400000000, -0.0001889900000000 ] - [ 0.0001019200000000, -0.0002634700000000, -0.0001884000000000 ] - [ 0.0000029000000000, 0.0000009700000000, -0.0000087100000000 ] - [ -0.0000017300000000, -0.0000003800000000, -0.0000041300000000 ] - [ 0.0000001800000000, 0.0000002400000000, -0.0004587400000000 ] - [ -0.0000001400000000, -0.0000010500000000, -0.0004685400000000 ] - [ 0.0000541000000000, 0.0003682800000000, 0.0000447300000000 ] - [ -0.0003445500000000, -0.0001353300000000, 0.0000446400000000 ] - [ 0.0002899700000000, -0.0002322000000000, 0.0000444700000000 ] - [ -0.0000557800000000, 0.0003687600000000, 0.0000495800000000 ] - [ 0.0003453900000000, -0.0001354100000000, 0.0000494300000000 ] - [ -0.0002915500000000, -0.0002319100000000, 0.0000494500000000 ] - [ -0.0000504100000000, 0.0000721500000000, 0.0002013600000000 ] - [ -0.0000360600000000, -0.0000809200000000, 0.0002016600000000 ] - [ 0.0000883300000000, 0.0000086000000000, 0.0002018300000000 ] - [ 0.0000473900000000, 0.0000671400000000, 0.0002035100000000 ] - [ 0.0000338700000000, -0.0000738000000000, 0.0002040100000000 ] - [ -0.0000800600000000, 0.0000076700000000, 0.0002039500000000 ]- atom: 47 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000069600000000, -0.0000342100000000, -0.0004497800000000 ] - [ -0.0022127900000000, 0.0043693600000000, 0.0003017100000000 ] - [ 0.0334368200000000, -0.0026520300000000, 0.0038121300000000 ] - [ -0.0136381200000000, 0.0066330300000000, -0.0008943400000000 ] - [ -0.0157098600000000, -0.0031326200000000, 0.0022282300000000 ] - [ -0.0000520300000000, -0.0005217900000000, 0.0003174400000000 ] - [ -0.0003874500000000, 0.0003183000000000, 0.0007246300000000 ] - [ 0.0005314100000000, 0.0003187800000000, 0.0002807600000000 ] - [ -0.0016591000000000, -0.0048832300000000, -0.0007637300000000 ] - [ -0.0000140800000000, 0.0000279500000000, -0.0004472700000000 ] - [ 0.0000610500000000, -0.0005919900000000, 0.0003979500000000 ] - [ 0.0004848800000000, 0.0003498100000000, 0.0003997500000000 ] - [ -0.0005412700000000, 0.0002435900000000, 0.0004000500000000 ] - [ -0.0000928100000000, -0.0006298600000000, 0.0004761000000000 ] - [ -0.0005074300000000, 0.0002673400000000, 0.0004753600000000 ] - [ 0.0006008800000000, 0.0003323200000000, 0.0001658300000000 ] - [ -0.0000003500000000, -0.0000018300000000, -0.0004247000000000 ] - [ -0.0000022900000000, 0.0000019600000000, -0.0004472500000000 ] - [ 0.0000585000000000, -0.0005861200000000, 0.0003939700000000 ] - [ 0.0004821500000000, 0.0003438900000000, 0.0003905500000000 ] - [ -0.0005356700000000, 0.0002435300000000, 0.0003885300000000 ] - [ -0.0000622700000000, -0.0005904800000000, 0.0003685000000000 ] - [ -0.0004794900000000, 0.0003477100000000, 0.0003689100000000 ] - [ 0.0005415100000000, 0.0002398400000000, 0.0003685800000000 ] - [ 0.0002215500000000, -0.0001272500000000, 0.0000853200000000 ] - [ -0.0000469400000000, -0.0004714700000000, 0.0004889600000000 ] - [ 0.0001746900000000, 0.0000140800000000, -0.0006901600000000 ] - [ 0.0000017400000000, 0.0000011900000000, -0.0004639200000000 ] - [ -0.0000012800000000, 0.0000001600000000, -0.0000306500000000 ] - [ 0.0000023300000000, -0.0000007800000000, -0.0000753800000000 ] - [ -0.0000013600000000, -0.0000006800000000, -0.0004651400000000 ] - [ -0.0000293500000000, 0.0004713300000000, -0.0006952000000000 ] - [ -0.0000041300000000, 0.0000008000000000, -0.0000734100000000 ] - [ 0.0000001800000000, 0.0000003900000000, -0.0001049800000000 ] - [ 0.0000011700000000, 0.0000016700000000, -0.0004768100000000 ] - [ 0.0000000300000000, -0.0000001300000000, -0.0004819800000000 ] - [ -0.0053579700000000, 0.0033858800000000, 0.0087346200000000 ] - [ 0.0020605300000000, -0.0010925500000000, -0.0035872500000000 ] - [ -0.0002961500000000, 0.0021954400000000, -0.0040663200000000 ] - [ -0.0002433700000000, -0.0001920400000000, -0.0001543900000000 ] - [ -0.0000130300000000, -0.0000173700000000, -0.0007907000000000 ] - [ 0.0002760900000000, -0.0004261000000000, -0.0000388900000000 ] - [ -0.0000484300000000, 0.0000546100000000, 0.0000211600000000 ] - [ -0.0131296100000000, -0.0273953000000000, 0.0023939100000000 ] - [ 0.0000331400000000, 0.0000028200000000, -0.0004590300000000 ] - [ -0.0123598500000000, 0.0245742200000000, -0.0038148000000000 ] - [ 0.0696672000000000, 0.0014529200000000, -0.0021542100000000 ] - [ -0.0203230000000000, 0.0025565000000000, 0.0004188800000000 ] - [ -0.0203586000000000, -0.0025590000000000, -0.0017254400000000 ] - [ -0.0000613200000000, 0.0002552100000000, 0.0000060800000000 ] - [ 0.0003599100000000, -0.0001437100000000, 0.0000467100000000 ] - [ -0.0003426200000000, -0.0002502100000000, 0.0000576300000000 ] - [ -0.0000980900000000, -0.0025012700000000, 0.0025283200000000 ] - [ 0.0022346200000000, 0.0015232200000000, 0.0024406300000000 ] - [ -0.0030403700000000, -0.0032575200000000, -0.0059758500000000 ] - [ 0.0000395100000000, 0.0000925700000000, 0.0001785600000000 ] - [ 0.0000474100000000, -0.0000886200000000, 0.0002419200000000 ] - [ -0.0000896800000000, -0.0000019100000000, 0.0002551300000000 ] - [ 0.0002836800000000, 0.0000580800000000, -0.0001721200000000 ] - [ -0.0001918600000000, 0.0002162300000000, -0.0001721500000000 ] - [ -0.0000910700000000, -0.0002739800000000, -0.0001725800000000 ] - [ -0.0002644600000000, 0.0000539300000000, -0.0002447900000000 ] - [ 0.0002095900000000, 0.0002357500000000, -0.0001858700000000 ] - [ 0.0000989700000000, -0.0002702800000000, -0.0001536300000000 ] - [ 0.0000273500000000, -0.0000035200000000, 0.0000006000000000 ] - [ -0.0000011900000000, -0.0000020100000000, -0.0000056100000000 ] - [ -0.0000046700000000, -0.0000260100000000, -0.0005101000000000 ] - [ 0.0000005600000000, 0.0000002100000000, -0.0004471700000000 ] - [ 0.0000535300000000, 0.0003712200000000, 0.0000539800000000 ] - [ -0.0003480900000000, -0.0001384500000000, 0.0000539300000000 ] - [ 0.0002916900000000, -0.0002311400000000, 0.0000536200000000 ] - [ -0.0000614100000000, 0.0004789700000000, 0.0001181300000000 ] - [ 0.0003143800000000, -0.0001165500000000, 0.0000421000000000 ] - [ -0.0002731400000000, -0.0002101000000000, 0.0000325100000000 ] - [ -0.0000446000000000, 0.0000797700000000, 0.0002240100000000 ] - [ -0.0000422800000000, -0.0000837300000000, 0.0002266400000000 ] - [ 0.0000935300000000, -0.0000013100000000, 0.0002280600000000 ] - [ 0.0003890000000000, 0.0005584200000000, 0.0002896800000000 ] - [ 0.0000025500000000, 0.0003995300000000, 0.0006766400000000 ] - [ -0.0000248800000000, 0.0004259800000000, 0.0000516900000000 ] - [ 0.0002799400000000, 0.0000553500000000, -0.0002002000000000 ] - [ -0.0001900300000000, 0.0002196500000000, -0.0001964700000000 ] - [ -0.0000917700000000, -0.0002727700000000, -0.0001932000000000 ] - [ -0.0002860500000000, 0.0000584000000000, -0.0001734800000000 ] - [ 0.0001932400000000, 0.0002187800000000, -0.0001731400000000 ] - [ 0.0000934600000000, -0.0002767000000000, -0.0001730700000000 ] - [ 0.0000018100000000, 0.0000010300000000, -0.0000079500000000 ] - [ -0.0000013800000000, -0.0000001100000000, -0.0000038000000000 ] - [ 0.0000010000000000, 0.0000007700000000, -0.0004459800000000 ] - [ -0.0000010200000000, -0.0000014600000000, -0.0004554400000000 ] - [ 0.0000517800000000, 0.0003718900000000, 0.0000508600000000 ] - [ -0.0003483500000000, -0.0001389300000000, 0.0000509500000000 ] - [ 0.0002953200000000, -0.0002322000000000, 0.0000502200000000 ] - [ -0.0000548300000000, 0.0003724300000000, 0.0000557200000000 ] - [ 0.0003491600000000, -0.0001394200000000, 0.0000553100000000 ] - [ -0.0002972700000000, -0.0002313400000000, 0.0000549100000000 ] - [ -0.0000464600000000, 0.0000826400000000, 0.0002160900000000 ] - [ -0.0000462200000000, -0.0000822100000000, 0.0002176400000000 ] - [ 0.0000948600000000, -0.0000001000000000, 0.0002173300000000 ] - [ 0.0000441100000000, 0.0000760100000000, 0.0002194200000000 ] - [ 0.0000427300000000, -0.0000755000000000, 0.0002210700000000 ] - [ -0.0000853100000000, 0.0000024000000000, 0.0002204000000000 ]- atom: 47 displacement: [ -0.0050000000082145, 0.0086602540331018, 0.0000000000000000 ] forces: - [ 0.0000086000000000, -0.0000281100000000, -0.0007761800000000 ] - [ -0.0105059000000000, -0.0010457200000000, -0.0002823500000000 ] - [ 0.0168037300000000, 0.0116413800000000, 0.0037327600000000 ] - [ -0.0169158100000000, 0.0371344500000000, 0.0005494100000000 ] - [ -0.0009877300000000, 0.0254298900000000, -0.0049699500000000 ] - [ -0.0000136600000000, -0.0006275600000000, -0.0001989400000000 ] - [ -0.0005032500000000, 0.0003778800000000, 0.0003499700000000 ] - [ 0.0005131100000000, 0.0002435200000000, 0.0002258200000000 ] - [ 0.0121324300000000, -0.0072696500000000, -0.0012917000000000 ] - [ -0.0000497200000000, -0.0000381500000000, -0.0007718900000000 ] - [ 0.0000467400000000, -0.0006072100000000, 0.0001292500000000 ] - [ 0.0005044600000000, 0.0003456600000000, 0.0001289900000000 ] - [ -0.0005464600000000, 0.0002615100000000, 0.0001383400000000 ] - [ -0.0000294400000000, -0.0006586700000000, 0.0000095500000000 ] - [ -0.0005322700000000, 0.0002117100000000, 0.0002473800000000 ] - [ 0.0006616600000000, 0.0003135100000000, 0.0001287300000000 ] - [ 0.0000006800000000, -0.0000018300000000, -0.0007490000000000 ] - [ -0.0000022500000000, 0.0000000300000000, -0.0007716400000000 ] - [ 0.0000452100000000, -0.0006026700000000, 0.0001239400000000 ] - [ 0.0005006900000000, 0.0003402900000000, 0.0001266800000000 ] - [ -0.0005425000000000, 0.0002635100000000, 0.0001229600000000 ] - [ -0.0000482800000000, -0.0006050900000000, 0.0001016600000000 ] - [ -0.0004995400000000, 0.0003427300000000, 0.0001012800000000 ] - [ 0.0005471300000000, 0.0002588400000000, 0.0001008300000000 ] - [ -0.0000448500000000, 0.0005584800000000, 0.0000649600000000 ] - [ 0.0011219000000000, -0.0008184800000000, 0.0004819700000000 ] - [ 0.0003037000000000, 0.0006734700000000, -0.0007497400000000 ] - [ 0.0000027300000000, 0.0000002900000000, -0.0005193800000000 ] - [ -0.0000008800000000, -0.0000006700000000, -0.0000817100000000 ] - [ 0.0000008800000000, 0.0000026400000000, -0.0001224400000000 ] - [ 0.0000036300000000, 0.0000004300000000, -0.0005156500000000 ] - [ -0.0012071800000000, -0.0003981700000000, -0.0003836300000000 ] - [ -0.0000011500000000, 0.0000016400000000, -0.0001257400000000 ] - [ 0.0000000000000000, -0.0000004700000000, -0.0001547200000000 ] - [ 0.0000004600000000, 0.0000008700000000, -0.0005270200000000 ] - [ -0.0000008700000000, -0.0000013900000000, -0.0005324900000000 ] - [ -0.0031777100000000, 0.0026121700000000, 0.0042858600000000 ] - [ -0.0051823200000000, 0.0105452600000000, 0.0209325400000000 ] - [ -0.0047218300000000, 0.0086584800000000, -0.0209033600000000 ] - [ 0.0003032300000000, 0.0004252100000000, 0.0005827700000000 ] - [ 0.0003406000000000, 0.0002078400000000, -0.0002819200000000 ] - [ 0.0005807700000000, -0.0001593900000000, -0.0002574700000000 ] - [ -0.0000028300000000, 0.0000297500000000, 0.0000382900000000 ] - [ 0.0439536700000000, 0.0342216900000000, -0.0006052200000000 ] - [ 0.0000172300000000, -0.0000557400000000, -0.0004143200000000 ] - [ -0.0507772600000000, 0.0532917000000000, -0.0029295900000000 ] - [ 0.0334953100000000, -0.1991793900000000, -0.0014898800000000 ] - [ -0.0300147300000000, 0.0063803500000000, 0.0002079900000000 ] - [ 0.0094508600000000, 0.0029218800000000, -0.0020927400000000 ] - [ 0.0000330500000000, 0.0003805400000000, 0.0001083700000000 ] - [ 0.0003100600000000, -0.0000758700000000, 0.0000964500000000 ] - [ -0.0003436400000000, -0.0002876400000000, 0.0000911300000000 ] - [ 0.0038199900000000, 0.0059558500000000, -0.0093393800000000 ] - [ 0.0058777500000000, 0.0074401700000000, 0.0155331500000000 ] - [ -0.0012296200000000, -0.0015143700000000, -0.0032081900000000 ] - [ 0.0000896800000000, 0.0000341000000000, 0.0003497200000000 ] - [ 0.0000040000000000, -0.0000774500000000, 0.0003543100000000 ] - [ -0.0000498500000000, 0.0000807800000000, 0.0004129000000000 ] - [ 0.0003086000000000, 0.0001004700000000, 0.0000112200000000 ] - [ -0.0002412600000000, 0.0002165600000000, 0.0000115100000000 ] - [ -0.0000667900000000, -0.0003158800000000, 0.0000092100000000 ] - [ -0.0003699200000000, 0.0001417500000000, 0.0000154500000000 ] - [ 0.0002347800000000, 0.0002565900000000, 0.0000368500000000 ] - [ 0.0000565200000000, -0.0002613500000000, -0.0000967400000000 ] - [ 0.0000164700000000, -0.0000552200000000, 0.0000348700000000 ] - [ -0.0000007500000000, -0.0000016600000000, 0.0000423700000000 ] - [ -0.0000046500000000, 0.0000271700000000, -0.0004819300000000 ] - [ -0.0000005500000000, 0.0000004100000000, -0.0004013600000000 ] - [ 0.0000542600000000, 0.0003748800000000, 0.0000939100000000 ] - [ -0.0003537800000000, -0.0001399700000000, 0.0000942300000000 ] - [ 0.0002953000000000, -0.0002344600000000, 0.0000938200000000 ] - [ -0.0001601100000000, 0.0004908500000000, 0.0001812400000000 ] - [ 0.0002659100000000, -0.0001053000000000, 0.0000243800000000 ] - [ -0.0003445200000000, -0.0002068000000000, 0.0000998100000000 ] - [ -0.0000869200000000, 0.0000311400000000, 0.0003853900000000 ] - [ 0.0000239200000000, -0.0000872000000000, 0.0003706300000000 ] - [ 0.0000667100000000, 0.0000721400000000, 0.0003835200000000 ] - [ -0.0005832700000000, 0.0007284200000000, 0.0008559400000000 ] - [ -0.0010465400000000, 0.0005789800000000, 0.0003060100000000 ] - [ -0.0016045500000000, 0.0008500700000000, 0.0010474700000000 ] - [ 0.0003053400000000, 0.0000983700000000, -0.0000105700000000 ] - [ -0.0002367500000000, 0.0002181300000000, -0.0000170700000000 ] - [ -0.0000674400000000, -0.0003148900000000, -0.0000079600000000 ] - [ -0.0003107700000000, 0.0001003400000000, 0.0000104400000000 ] - [ 0.0002420600000000, 0.0002185900000000, 0.0000105100000000 ] - [ 0.0000685400000000, -0.0003191800000000, 0.0000108400000000 ] - [ 0.0000025400000000, 0.0000009300000000, 0.0000409800000000 ] - [ -0.0000013800000000, -0.0000004800000000, 0.0000449500000000 ] - [ -0.0000001400000000, 0.0000001500000000, -0.0004002300000000 ] - [ -0.0000006900000000, -0.0000009400000000, -0.0004097200000000 ] - [ 0.0000533100000000, 0.0003758600000000, 0.0000909500000000 ] - [ -0.0003531400000000, -0.0001408400000000, 0.0000912000000000 ] - [ 0.0002978500000000, -0.0002354400000000, 0.0000907600000000 ] - [ -0.0000554100000000, 0.0003776700000000, 0.0000959500000000 ] - [ 0.0003525600000000, -0.0001405200000000, 0.0000958000000000 ] - [ -0.0002999000000000, -0.0002358300000000, 0.0000957300000000 ] - [ -0.0000895600000000, 0.0000244600000000, 0.0003711100000000 ] - [ 0.0000251900000000, -0.0000908600000000, 0.0003725700000000 ] - [ 0.0000659900000000, 0.0000662700000000, 0.0003718400000000 ] - [ 0.0000868000000000, 0.0000184100000000, 0.0003737400000000 ] - [ -0.0000286000000000, -0.0000835800000000, 0.0003742100000000 ] - [ -0.0000576800000000, 0.0000669300000000, 0.0003744500000000 ]- atom: 47 displacement: [ 0.0050000000082145, -0.0086602540331018, 0.0000000000000000 ] forces: - [ -0.0000090100000000, 0.0000292400000000, -0.0001246400000000 ] - [ 0.0106092400000000, 0.0009894900000000, -0.0005551800000000 ] - [ -0.0178586600000000, -0.0127882000000000, -0.0029125100000000 ] - [ 0.0186157100000000, -0.0327085000000000, 0.0002790000000000 ] - [ 0.0005369800000000, -0.0290482500000000, 0.0058146900000000 ] - [ -0.0001138600000000, -0.0005508100000000, 0.0009993900000000 ] - [ -0.0004474300000000, 0.0003155600000000, 0.0004409600000000 ] - [ 0.0005678600000000, 0.0002285100000000, 0.0005747100000000 ] - [ -0.0122164900000000, 0.0074758300000000, 0.0003505500000000 ] - [ 0.0000487100000000, 0.0000386000000000, -0.0001296500000000 ] - [ 0.0000803300000000, -0.0005677600000000, 0.0006686800000000 ] - [ 0.0004548300000000, 0.0003529500000000, 0.0006676800000000 ] - [ -0.0005315600000000, 0.0002157300000000, 0.0006592400000000 ] - [ -0.0000874100000000, -0.0005149800000000, 0.0007629000000000 ] - [ -0.0004175300000000, 0.0004737700000000, 0.0005393100000000 ] - [ 0.0004073700000000, 0.0001662500000000, 0.0006562200000000 ] - [ -0.0000001200000000, -0.0000007500000000, -0.0001073800000000 ] - [ -0.0000013300000000, 0.0000001100000000, -0.0001304100000000 ] - [ 0.0000764200000000, -0.0005656800000000, 0.0006569900000000 ] - [ 0.0004536700000000, 0.0003489600000000, 0.0006557600000000 ] - [ -0.0005258900000000, 0.0002155500000000, 0.0006606700000000 ] - [ -0.0000804700000000, -0.0005684300000000, 0.0006357600000000 ] - [ -0.0004508500000000, 0.0003522300000000, 0.0006356000000000 ] - [ 0.0005310600000000, 0.0002126000000000, 0.0006349400000000 ] - [ 0.0000479900000000, -0.0005712100000000, -0.0002221800000000 ] - [ -0.0011317800000000, 0.0008335600000000, -0.0005184300000000 ] - [ -0.0002879800000000, -0.0006719700000000, -0.0002302700000000 ] - [ -0.0000038600000000, -0.0000023000000000, -0.0004005900000000 ] - [ -0.0000006600000000, -0.0000008700000000, 0.0000350300000000 ] - [ -0.0000011600000000, -0.0000017300000000, -0.0000065900000000 ] - [ -0.0000034700000000, 0.0000011500000000, -0.0004041300000000 ] - [ 0.0012162800000000, 0.0003822100000000, -0.0005598700000000 ] - [ 0.0000014300000000, -0.0000013800000000, -0.0000042600000000 ] - [ 0.0000000600000000, -0.0000003900000000, -0.0000370200000000 ] - [ 0.0000002600000000, 0.0000007200000000, -0.0004150900000000 ] - [ -0.0000005700000000, -0.0000010400000000, -0.0004208900000000 ] - [ 0.0038206100000000, -0.0025865800000000, -0.0047675400000000 ] - [ 0.0048472700000000, -0.0101788600000000, -0.0211139500000000 ] - [ 0.0046173900000000, -0.0092982600000000, 0.0210938000000000 ] - [ -0.0008639500000000, -0.0003315500000000, -0.0009378500000000 ] - [ 0.0000202800000000, 0.0002323000000000, -0.0000586200000000 ] - [ -0.0003877900000000, -0.0003695500000000, -0.0000988600000000 ] - [ 0.0000054800000000, -0.0000255600000000, -0.0000459000000000 ] - [ -0.0439475100000000, -0.0337979500000000, 0.0006476000000000 ] - [ -0.0000178000000000, 0.0000541500000000, -0.0004938400000000 ] - [ 0.0503712300000000, -0.0529130300000000, 0.0017537900000000 ] - [ -0.0338113300000000, 0.2002505500000000, 0.0013421900000000 ] - [ 0.0299618700000000, -0.0068600000000000, -0.0001471600000000 ] - [ -0.0090725900000000, -0.0037792100000000, 0.0021939300000000 ] - [ -0.0001442300000000, 0.0003576100000000, -0.0000062300000000 ] - [ 0.0003776700000000, -0.0001943200000000, 0.0000041700000000 ] - [ -0.0002388800000000, -0.0001744900000000, 0.0000103300000000 ] - [ -0.0039162100000000, -0.0058998800000000, 0.0097156800000000 ] - [ -0.0060364200000000, -0.0075634800000000, -0.0153901300000000 ] - [ 0.0014243600000000, 0.0015792500000000, 0.0036747800000000 ] - [ 0.0000143400000000, 0.0001064700000000, 0.0000986900000000 ] - [ 0.0000646300000000, -0.0000822800000000, 0.0000931000000000 ] - [ -0.0001235400000000, -0.0000637500000000, 0.0000349100000000 ] - [ 0.0002511700000000, -0.0000011200000000, -0.0003551500000000 ] - [ -0.0001253100000000, 0.0002168600000000, -0.0003544700000000 ] - [ -0.0001250400000000, -0.0002177900000000, -0.0003526800000000 ] - [ -0.0001874700000000, -0.0000469500000000, -0.0003983500000000 ] - [ 0.0001255000000000, 0.0001756600000000, -0.0004257600000000 ] - [ 0.0001403700000000, -0.0002696200000000, -0.0002903500000000 ] - [ -0.0000160600000000, 0.0000602700000000, -0.0000342200000000 ] - [ -0.0000022600000000, -0.0000017400000000, -0.0000488600000000 ] - [ 0.0000048500000000, -0.0000266200000000, -0.0004435400000000 ] - [ 0.0000007200000000, -0.0000019500000000, -0.0005071600000000 ] - [ 0.0000545000000000, 0.0003614300000000, 0.0000095200000000 ] - [ -0.0003389900000000, -0.0001322000000000, 0.0000088600000000 ] - [ 0.0002814000000000, -0.0002292100000000, 0.0000090200000000 ] - [ 0.0000497700000000, 0.0002454700000000, -0.0000832900000000 ] - [ 0.0004293100000000, -0.0001693300000000, 0.0000750000000000 ] - [ -0.0002401000000000, -0.0002563300000000, -0.0000015700000000 ] - [ -0.0000172700000000, 0.0001066900000000, 0.0000629200000000 ] - [ -0.0000894800000000, -0.0000734800000000, 0.0000786700000000 ] - [ 0.0001056200000000, -0.0000518300000000, 0.0000637700000000 ] - [ 0.0007046600000000, -0.0006189900000000, -0.0004258900000000 ] - [ 0.0011037900000000, -0.0007677000000000, 0.0001273100000000 ] - [ 0.0014466600000000, -0.0008251600000000, -0.0005900000000000 ] - [ 0.0002519800000000, -0.0000040900000000, -0.0003748300000000 ] - [ -0.0001251900000000, 0.0002158700000000, -0.0003699400000000 ] - [ -0.0001277100000000, -0.0002153200000000, -0.0003788700000000 ] - [ -0.0002533300000000, -0.0000014700000000, -0.0003544300000000 ] - [ 0.0001260800000000, 0.0002195100000000, -0.0003546800000000 ] - [ 0.0001280000000000, -0.0002191400000000, -0.0003538100000000 ] - [ 0.0000029200000000, 0.0000008700000000, -0.0000501700000000 ] - [ -0.0000017000000000, -0.0000014000000000, -0.0000452500000000 ] - [ 0.0000000500000000, -0.0000002000000000, -0.0005061400000000 ] - [ -0.0000000900000000, -0.0000012600000000, -0.0005159800000000 ] - [ 0.0000542800000000, 0.0003623400000000, 0.0000070300000000 ] - [ -0.0003393900000000, -0.0001325900000000, 0.0000068500000000 ] - [ 0.0002835500000000, -0.0002291100000000, 0.0000064200000000 ] - [ -0.0000557900000000, 0.0003620200000000, 0.0000115100000000 ] - [ 0.0003397500000000, -0.0001324300000000, 0.0000114100000000 ] - [ -0.0002861400000000, -0.0002290700000000, 0.0000112500000000 ] - [ -0.0000171900000000, 0.0001137800000000, 0.0000616300000000 ] - [ -0.0000890700000000, -0.0000731700000000, 0.0000613800000000 ] - [ 0.0001081000000000, -0.0000419100000000, 0.0000608500000000 ] - [ 0.0000137300000000, 0.0001093700000000, 0.0000629400000000 ] - [ 0.0000877900000000, -0.0000662300000000, 0.0000635800000000 ] - [ -0.0000999400000000, -0.0000430700000000, 0.0000635700000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000127400000000, -0.0000015900000000, -0.0024028800000000 ] - [ -0.0020320400000000, 0.0006768700000000, -0.0015837500000000 ] - [ -0.0014036700000000, 0.0002842400000000, 0.0216482500000000 ] - [ -0.0000018600000000, 0.0025130100000000, 0.0193219000000000 ] - [ -0.0035359900000000, -0.0003490500000000, 0.0215664900000000 ] - [ 0.0001071200000000, -0.0006833900000000, -0.0013687700000000 ] - [ -0.0006293300000000, 0.0003020400000000, -0.0012189800000000 ] - [ 0.0005830800000000, 0.0003111600000000, -0.0010785300000000 ] - [ 0.0014866100000000, 0.0003937600000000, -0.0035871200000000 ] - [ -0.0000054800000000, -0.0000116000000000, -0.0024002100000000 ] - [ -0.0000326800000000, -0.0006986900000000, -0.0012213000000000 ] - [ 0.0006244300000000, 0.0003232200000000, -0.0012224100000000 ] - [ -0.0005874000000000, 0.0003766000000000, -0.0012192300000000 ] - [ 0.0000035400000000, -0.0006804000000000, -0.0012986000000000 ] - [ -0.0005677000000000, 0.0002886800000000, -0.0011675500000000 ] - [ 0.0005989200000000, 0.0003768600000000, -0.0012175300000000 ] - [ 0.0000001800000000, -0.0000031000000000, -0.0023787000000000 ] - [ -0.0000025300000000, -0.0000004700000000, -0.0024027000000000 ] - [ -0.0000344800000000, -0.0006948800000000, -0.0012337900000000 ] - [ 0.0006207200000000, 0.0003178100000000, -0.0012300100000000 ] - [ -0.0005822800000000, 0.0003781000000000, -0.0012298800000000 ] - [ 0.0000318200000000, -0.0006978300000000, -0.0012519700000000 ] - [ -0.0006209600000000, 0.0003206000000000, -0.0012534100000000 ] - [ 0.0005882900000000, 0.0003746100000000, -0.0012544000000000 ] - [ -0.0003680600000000, 0.0001542900000000, -0.0008346100000000 ] - [ 0.0000037500000000, -0.0000031600000000, -0.0000593200000000 ] - [ 0.0004977200000000, 0.0001468200000000, -0.0007532600000000 ] - [ -0.0000011600000000, -0.0000005000000000, -0.0008006400000000 ] - [ -0.0000013300000000, -0.0000005100000000, -0.0003811400000000 ] - [ -0.0000002100000000, 0.0000002200000000, -0.0004263500000000 ] - [ 0.0000009700000000, 0.0000019300000000, -0.0007993600000000 ] - [ 0.0000012300000000, 0.0000084000000000, -0.0009945600000000 ] - [ 0.0000003000000000, 0.0000001600000000, -0.0004314400000000 ] - [ 0.0000002300000000, -0.0000000400000000, -0.0004568200000000 ] - [ 0.0000008600000000, 0.0000013900000000, -0.0008094500000000 ] - [ -0.0000002700000000, -0.0000005700000000, -0.0008134200000000 ] - [ -0.0057859500000000, 0.0003706800000000, -0.0011600300000000 ] - [ -0.0005899100000000, 0.0114970100000000, 0.0036241100000000 ] - [ 0.0011225500000000, -0.0064133700000000, -0.0018918300000000 ] - [ -0.0002510400000000, 0.0004270100000000, 0.0011908600000000 ] - [ 0.0005234000000000, 0.0003679700000000, 0.0009312400000000 ] - [ -0.0000193800000000, -0.0007603600000000, 0.0007292500000000 ] - [ 0.0000101300000000, 0.0000022300000000, 0.0002841300000000 ] - [ -0.0044418000000000, -0.0048375200000000, -0.0054831600000000 ] - [ 0.0000028600000000, -0.0000293600000000, -0.0001257600000000 ] - [ 0.0084038000000000, -0.0103301600000000, -0.0064146300000000 ] - [ 0.0022751800000000, -0.0000370500000000, -0.0424560600000000 ] - [ 0.0000015100000000, 0.0021202900000000, -0.0037989200000000 ] - [ 0.0004376200000000, 0.0000944300000000, -0.0038077000000000 ] - [ 0.0000143900000000, 0.0004816800000000, 0.0003442300000000 ] - [ 0.0003253800000000, -0.0001190200000000, 0.0002850200000000 ] - [ -0.0003441400000000, -0.0002774300000000, 0.0002860500000000 ] - [ -0.0005788300000000, -0.0050897500000000, -0.0003905200000000 ] - [ 0.0011367800000000, 0.0085063600000000, 0.0042492000000000 ] - [ 0.0034776000000000, -0.0000314400000000, -0.0012978800000000 ] - [ 0.0002672100000000, -0.0001872100000000, 0.0011604500000000 ] - [ -0.0003228600000000, -0.0001293700000000, 0.0011835800000000 ] - [ 0.0000361800000000, 0.0003308600000000, 0.0011651800000000 ] - [ 0.0004516200000000, 0.0003547200000000, 0.0009330100000000 ] - [ -0.0005328800000000, 0.0002135000000000, 0.0009336400000000 ] - [ 0.0000816800000000, -0.0005676900000000, 0.0009328600000000 ] - [ -0.0004651500000000, 0.0003567600000000, 0.0009387300000000 ] - [ 0.0005212700000000, 0.0002205100000000, 0.0009051900000000 ] - [ -0.0000801800000000, -0.0005580500000000, 0.0008981100000000 ] - [ 0.0000069800000000, -0.0000211200000000, 0.0002798900000000 ] - [ -0.0000012400000000, -0.0000013800000000, 0.0002760100000000 ] - [ -0.0000147000000000, 0.0000126800000000, -0.0001141800000000 ] - [ 0.0000000000000000, -0.0000001300000000, -0.0001297200000000 ] - [ 0.0000517800000000, 0.0004161100000000, 0.0003108000000000 ] - [ -0.0003869300000000, -0.0001620400000000, 0.0003106600000000 ] - [ 0.0003311100000000, -0.0002531500000000, 0.0003104500000000 ] - [ -0.0000985100000000, 0.0004611200000000, 0.0003453000000000 ] - [ 0.0003959500000000, -0.0001617900000000, 0.0002857100000000 ] - [ -0.0003338100000000, -0.0002466200000000, 0.0002861100000000 ] - [ -0.0002735100000000, -0.0002021300000000, 0.0011685900000000 ] - [ 0.0003135900000000, -0.0001340700000000, 0.0011661200000000 ] - [ -0.0000402800000000, 0.0003396900000000, 0.0011672400000000 ] - [ 0.0000837900000000, -0.0003907900000000, 0.0009825100000000 ] - [ -0.0003718600000000, 0.0000904600000000, 0.0012443400000000 ] - [ -0.0000939000000000, 0.0005492600000000, 0.0015556600000000 ] - [ 0.0004515700000000, 0.0003554300000000, 0.0009133400000000 ] - [ -0.0005333400000000, 0.0002128700000000, 0.0009102400000000 ] - [ 0.0000823000000000, -0.0005679900000000, 0.0009107700000000 ] - [ -0.0004541800000000, 0.0003551500000000, 0.0009352500000000 ] - [ 0.0005346700000000, 0.0002156200000000, 0.0009350400000000 ] - [ -0.0000802500000000, -0.0005710500000000, 0.0009361400000000 ] - [ 0.0000029800000000, 0.0000009500000000, 0.0002753100000000 ] - [ -0.0000012900000000, -0.0000007900000000, 0.0002774700000000 ] - [ -0.0000001800000000, 0.0000001500000000, -0.0001297000000000 ] - [ -0.0000004500000000, -0.0000007700000000, -0.0001386900000000 ] - [ 0.0000503100000000, 0.0004165600000000, 0.0003064100000000 ] - [ -0.0003858000000000, -0.0001633200000000, 0.0003064900000000 ] - [ 0.0003338200000000, -0.0002529400000000, 0.0003059900000000 ] - [ -0.0000534100000000, 0.0004176000000000, 0.0003127800000000 ] - [ 0.0003858000000000, -0.0001624900000000, 0.0003122200000000 ] - [ -0.0003355300000000, -0.0002538200000000, 0.0003121200000000 ] - [ -0.0002753600000000, -0.0002058800000000, 0.0011604000000000 ] - [ 0.0003174300000000, -0.0001365100000000, 0.0011614200000000 ] - [ -0.0000403700000000, 0.0003421300000000, 0.0011607600000000 ] - [ 0.0002723000000000, -0.0002117500000000, 0.0011616700000000 ] - [ -0.0003208900000000, -0.0001294900000000, 0.0011625700000000 ] - [ 0.0000493200000000, 0.0003430600000000, 0.0011635600000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000122700000000, 0.0000026500000000, 0.0015391200000000 ] - [ 0.0020497400000000, -0.0006761000000000, 0.0007345300000000 ] - [ 0.0016138400000000, -0.0014716800000000, -0.0209137300000000 ] - [ 0.0009549700000000, -0.0022980300000000, -0.0186479800000000 ] - [ 0.0024395700000000, 0.0013622800000000, -0.0208316600000000 ] - [ -0.0002354300000000, -0.0004920200000000, 0.0022040700000000 ] - [ -0.0003181100000000, 0.0003908700000000, 0.0020530500000000 ] - [ 0.0004963400000000, 0.0001631300000000, 0.0019140100000000 ] - [ -0.0014985400000000, -0.0003820400000000, 0.0027028100000000 ] - [ 0.0000020600000000, 0.0000137500000000, 0.0015345400000000 ] - [ 0.0001604600000000, -0.0004727800000000, 0.0020551500000000 ] - [ 0.0003328700000000, 0.0003754500000000, 0.0020542700000000 ] - [ -0.0004887700000000, 0.0000987900000000, 0.0020531800000000 ] - [ -0.0001216300000000, -0.0004908100000000, 0.0021155000000000 ] - [ -0.0003812700000000, 0.0003955400000000, 0.0019898900000000 ] - [ 0.0004709000000000, 0.0001014300000000, 0.0020354400000000 ] - [ -0.0000003300000000, -0.0000008400000000, 0.0015601700000000 ] - [ -0.0000018300000000, 0.0000016200000000, 0.0015390900000000 ] - [ 0.0001549200000000, -0.0004687800000000, 0.0020492700000000 ] - [ 0.0003309400000000, 0.0003693400000000, 0.0020475700000000 ] - [ -0.0004819600000000, 0.0000997700000000, 0.0020497300000000 ] - [ -0.0001608700000000, -0.0004720100000000, 0.0020260000000000 ] - [ -0.0003274900000000, 0.0003733800000000, 0.0020265400000000 ] - [ 0.0004874200000000, 0.0000950500000000, 0.0020266200000000 ] - [ 0.0003640600000000, -0.0001517800000000, 0.0006115800000000 ] - [ -0.0000046900000000, 0.0000018700000000, -0.0000108900000000 ] - [ -0.0005072400000000, -0.0001460800000000, -0.0001813700000000 ] - [ -0.0000000500000000, -0.0000011100000000, -0.0001194900000000 ] - [ -0.0000005200000000, 0.0000007000000000, 0.0003257800000000 ] - [ 0.0000003000000000, -0.0000002800000000, 0.0002831800000000 ] - [ 0.0000005000000000, 0.0000003400000000, -0.0001217300000000 ] - [ -0.0000019200000000, -0.0000089600000000, 0.0000491800000000 ] - [ -0.0000019300000000, -0.0000006600000000, 0.0002900200000000 ] - [ 0.0000000900000000, 0.0000001800000000, 0.0002545600000000 ] - [ 0.0000009100000000, 0.0000017000000000, -0.0001319200000000 ] - [ 0.0000002600000000, -0.0000001100000000, -0.0001391300000000 ] - [ 0.0062552700000000, -0.0002524400000000, 0.0008278700000000 ] - [ 0.0002106800000000, -0.0108745000000000, -0.0039379000000000 ] - [ -0.0012883600000000, 0.0057568600000000, 0.0015302700000000 ] - [ -0.0003132300000000, -0.0003215600000000, -0.0015622500000000 ] - [ -0.0001519100000000, 0.0000617500000000, -0.0012999200000000 ] - [ 0.0002082100000000, 0.0002247200000000, -0.0010968200000000 ] - [ -0.0000081100000000, 0.0000029100000000, -0.0002966100000000 ] - [ 0.0044866000000000, 0.0049111300000000, 0.0054223300000000 ] - [ -0.0000028200000000, 0.0000279100000000, -0.0007794300000000 ] - [ -0.0083513600000000, 0.0102588400000000, 0.0056248700000000 ] - [ -0.0020490600000000, 0.0007406600000000, 0.0426915100000000 ] - [ -0.0007547500000000, -0.0023967100000000, 0.0039211500000000 ] - [ 0.0000869200000000, -0.0005621800000000, 0.0039121600000000 ] - [ -0.0001237100000000, 0.0002602600000000, -0.0002429200000000 ] - [ 0.0003659100000000, -0.0001564300000000, -0.0001836100000000 ] - [ -0.0002447700000000, -0.0001845800000000, -0.0001833500000000 ] - [ 0.0004885500000000, 0.0053126100000000, 0.0008296900000000 ] - [ -0.0012297600000000, -0.0088269800000000, -0.0039057900000000 ] - [ -0.0033727500000000, 0.0000325100000000, 0.0017018700000000 ] - [ -0.0001756400000000, 0.0003512600000000, -0.0007338400000000 ] - [ 0.0004174100000000, -0.0000302400000000, -0.0007578500000000 ] - [ -0.0002226500000000, -0.0003363800000000, -0.0007383200000000 ] - [ 0.0001099700000000, -0.0002461700000000, -0.0013039100000000 ] - [ 0.0001583800000000, 0.0002175700000000, -0.0013040800000000 ] - [ -0.0002682500000000, 0.0000280800000000, -0.0013043900000000 ] - [ -0.0000940500000000, -0.0002526600000000, -0.0013479600000000 ] - [ -0.0001512400000000, 0.0002116400000000, -0.0013162300000000 ] - [ 0.0002702400000000, 0.0000217900000000, -0.0013096200000000 ] - [ -0.0000059500000000, 0.0000257800000000, -0.0002850700000000 ] - [ -0.0000014200000000, -0.0000023300000000, -0.0002897700000000 ] - [ 0.0000146500000000, -0.0000119600000000, -0.0008059500000000 ] - [ 0.0000000100000000, -0.0000003700000000, -0.0007734500000000 ] - [ 0.0000556500000000, 0.0003257700000000, -0.0002072100000000 ] - [ -0.0003095600000000, -0.0001137100000000, -0.0002073600000000 ] - [ 0.0002511400000000, -0.0002105700000000, -0.0002076500000000 ] - [ -0.0000107600000000, 0.0002818700000000, -0.0002460200000000 ] - [ 0.0003003200000000, -0.0001147700000000, -0.0001872400000000 ] - [ -0.0002568600000000, -0.0002177000000000, -0.0001879600000000 ] - [ 0.0001852800000000, 0.0003674200000000, -0.0007404700000000 ] - [ -0.0004096300000000, -0.0000262200000000, -0.0007363500000000 ] - [ 0.0002279400000000, -0.0003458300000000, -0.0007406000000000 ] - [ 0.0000163400000000, 0.0005447700000000, -0.0005714400000000 ] - [ 0.0004620000000000, -0.0002505000000000, -0.0008248200000000 ] - [ -0.0000899000000000, -0.0005472000000000, -0.0011350600000000 ] - [ 0.0001075100000000, -0.0002548200000000, -0.0013208300000000 ] - [ 0.0001659500000000, 0.0002204300000000, -0.0013215400000000 ] - [ -0.0002731300000000, 0.0000342200000000, -0.0013208200000000 ] - [ -0.0001116600000000, -0.0002490000000000, -0.0013037200000000 ] - [ -0.0001600500000000, 0.0002210900000000, -0.0013038800000000 ] - [ 0.0002722400000000, 0.0000276400000000, -0.0013035800000000 ] - [ 0.0000024600000000, 0.0000004900000000, -0.0002912700000000 ] - [ -0.0000016600000000, -0.0000011500000000, -0.0002831400000000 ] - [ 0.0000006500000000, 0.0000001500000000, -0.0007727300000000 ] - [ -0.0000004700000000, -0.0000009800000000, -0.0007843900000000 ] - [ 0.0000547800000000, 0.0003263100000000, -0.0002081900000000 ] - [ -0.0003100700000000, -0.0001139500000000, -0.0002083800000000 ] - [ 0.0002535300000000, -0.0002118000000000, -0.0002089200000000 ] - [ -0.0000574700000000, 0.0003276000000000, -0.0002051300000000 ] - [ 0.0003103800000000, -0.0001143100000000, -0.0002052800000000 ] - [ -0.0002563000000000, -0.0002108800000000, -0.0002058800000000 ] - [ 0.0001830300000000, 0.0003698900000000, -0.0007514800000000 ] - [ -0.0004100900000000, -0.0000273300000000, -0.0007494700000000 ] - [ 0.0002292500000000, -0.0003434000000000, -0.0007505800000000 ] - [ -0.0001882900000000, 0.0003669400000000, -0.0007470100000000 ] - [ 0.0004107200000000, -0.0000205500000000, -0.0007455700000000 ] - [ -0.0002215600000000, -0.0003445100000000, -0.0007456400000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002167800000000, 0.0005331500000000, 0.0012525000000000 ] - [ 0.0355097500000000, 0.0408454500000000, -0.0377484900000000 ] - [ -0.0027406500000000, -0.0054077100000000, -0.0051859900000000 ] - [ 0.0021600700000000, 0.0003180900000000, 0.0142891300000000 ] - [ -0.0065720100000000, 0.0035709600000000, -0.0094286200000000 ] - [ -0.0006261800000000, -0.0002618700000000, 0.0062062800000000 ] - [ -0.0013663800000000, 0.0008716000000000, -0.0027519800000000 ] - [ 0.0002749100000000, -0.0010376800000000, 0.0046029400000000 ] - [ -0.0024321400000000, -0.0001107500000000, 0.0013609800000000 ] - [ -0.0000036200000000, 0.0000019200000000, 0.0012426500000000 ] - [ 0.0001484800000000, -0.0004857400000000, 0.0018195400000000 ] - [ 0.0003497500000000, 0.0003737000000000, 0.0018202100000000 ] - [ -0.0004944900000000, 0.0001131200000000, 0.0018191500000000 ] - [ -0.0001458400000000, -0.0004901100000000, 0.0017865300000000 ] - [ -0.0003617800000000, 0.0003619200000000, 0.0017848000000000 ] - [ 0.0004683500000000, 0.0001147600000000, 0.0018950200000000 ] - [ -0.0000004500000000, -0.0000025600000000, 0.0012667200000000 ] - [ -0.0000017900000000, -0.0000024800000000, 0.0012455600000000 ] - [ 0.0001420600000000, -0.0004883000000000, 0.0017878800000000 ] - [ 0.0003425700000000, 0.0003675000000000, 0.0018239300000000 ] - [ -0.0004940900000000, 0.0001127100000000, 0.0018472900000000 ] - [ -0.0001494400000000, -0.0004855700000000, 0.0017918800000000 ] - [ -0.0003461200000000, 0.0003715800000000, 0.0017904700000000 ] - [ 0.0004949200000000, 0.0001110700000000, 0.0017890800000000 ] - [ 0.0000595300000000, -0.0001171900000000, 0.0002222400000000 ] - [ 0.0008877500000000, -0.0002892400000000, -0.0004302700000000 ] - [ 0.0003988200000000, -0.0037140500000000, -0.0023907400000000 ] - [ -0.0000317600000000, -0.0000383400000000, -0.0002009500000000 ] - [ -0.0000008900000000, 0.0000002800000000, 0.0002787600000000 ] - [ -0.0000003400000000, 0.0000004000000000, 0.0002398000000000 ] - [ 0.0000001500000000, 0.0000011900000000, -0.0001673000000000 ] - [ 0.0000791700000000, 0.0001561800000000, -0.0002280000000000 ] - [ 0.0000520600000000, -0.0000276500000000, 0.0002291200000000 ] - [ 0.0000002900000000, 0.0000002200000000, 0.0002061500000000 ] - [ 0.0000004500000000, 0.0000014600000000, -0.0001787800000000 ] - [ -0.0000001200000000, -0.0000002100000000, -0.0001849000000000 ] - [ 0.0010231600000000, 0.0009096900000000, 0.0007455200000000 ] - [ 0.0047343000000000, 0.0001231700000000, -0.0072017800000000 ] - [ 0.0010038400000000, -0.0010803400000000, 0.0012672700000000 ] - [ 0.0033632100000000, -0.0017414900000000, -0.0124651500000000 ] - [ -0.0041834500000000, -0.0044582600000000, 0.0057293400000000 ] - [ 0.0080969600000000, 0.0097017200000000, -0.0102272900000000 ] - [ 0.0008501300000000, -0.0008805200000000, -0.0006573300000000 ] - [ -0.0001624500000000, 0.0006390100000000, 0.0037742300000000 ] - [ -0.0007719600000000, 0.0002066100000000, -0.0010125300000000 ] - [ 0.0162015000000000, 0.0029957300000000, -0.0132023700000000 ] - [ 0.0001056100000000, 0.0048874300000000, -0.0004762900000000 ] - [ 0.0019907600000000, -0.0037933900000000, -0.0016146800000000 ] - [ 0.0038083900000000, -0.0020125300000000, 0.0069989700000000 ] - [ -0.0003923800000000, 0.0013066300000000, 0.0000202800000000 ] - [ 0.0000039600000000, -0.0003856000000000, -0.0000051200000000 ] - [ 0.0011948200000000, 0.0002413100000000, -0.0004192500000000 ] - [ -0.0811239400000000, -0.0566215500000000, 0.0421399800000000 ] - [ 0.0219845900000000, 0.0046868300000000, 0.0106418800000000 ] - [ -0.0045702600000000, 0.0106341900000000, 0.0098408400000000 ] - [ 0.0000399100000000, -0.0001097600000000, 0.0002599100000000 ] - [ 0.0006682800000000, 0.0000552500000000, -0.0012049300000000 ] - [ -0.0002779100000000, -0.0004270300000000, -0.0013755200000000 ] - [ 0.0001297500000000, -0.0002129700000000, -0.0011391900000000 ] - [ 0.0001196800000000, 0.0002188200000000, -0.0011392700000000 ] - [ -0.0002492300000000, -0.0000055700000000, -0.0011390800000000 ] - [ -0.0001215100000000, -0.0002169900000000, -0.0011577600000000 ] - [ -0.0001119500000000, 0.0002214100000000, -0.0011500000000000 ] - [ 0.0002664400000000, -0.0000009400000000, -0.0011648800000000 ] - [ -0.0000046100000000, -0.0000002600000000, -0.0002383500000000 ] - [ -0.0000017900000000, -0.0000017900000000, -0.0002442700000000 ] - [ 0.0000109500000000, 0.0000218100000000, -0.0007580600000000 ] - [ 0.0000000500000000, -0.0000004600000000, -0.0007342700000000 ] - [ 0.0000554100000000, 0.0003287800000000, -0.0001715100000000 ] - [ -0.0003123400000000, -0.0001149500000000, -0.0001718700000000 ] - [ 0.0002528400000000, -0.0002121500000000, -0.0001717300000000 ] - [ -0.0000504900000000, 0.0003235300000000, -0.0001690400000000 ] - [ 0.0003431100000000, -0.0001238200000000, -0.0001757300000000 ] - [ -0.0002497400000000, -0.0002073400000000, -0.0001719100000000 ] - [ 0.0001438900000000, 0.0003129100000000, -0.0006021800000000 ] - [ -0.0003393200000000, -0.0000331400000000, -0.0005985800000000 ] - [ 0.0001994700000000, -0.0002794900000000, -0.0006015100000000 ] - [ 0.0000485400000000, 0.0002919200000000, -0.0005413000000000 ] - [ 0.0009392100000000, -0.0001052400000000, -0.0006211400000000 ] - [ -0.0000765700000000, -0.0003075000000000, -0.0006239700000000 ] - [ 0.0001557500000000, -0.0002282600000000, -0.0011244000000000 ] - [ 0.0001436600000000, 0.0001836000000000, -0.0011888200000000 ] - [ -0.0002677800000000, -0.0000050100000000, -0.0011937100000000 ] - [ -0.0001320000000000, -0.0002138300000000, -0.0011422200000000 ] - [ -0.0001194700000000, 0.0002214400000000, -0.0011419100000000 ] - [ 0.0002513700000000, -0.0000073800000000, -0.0011411900000000 ] - [ 0.0000029300000000, 0.0000010800000000, -0.0002462400000000 ] - [ -0.0000044000000000, 0.0000051500000000, -0.0002413600000000 ] - [ -0.0000002200000000, 0.0000001000000000, -0.0007324300000000 ] - [ 0.0000008200000000, -0.0000034600000000, -0.0007445300000000 ] - [ 0.0000537200000000, 0.0003307300000000, -0.0001739400000000 ] - [ -0.0003044600000000, -0.0001115400000000, -0.0001744400000000 ] - [ 0.0002570400000000, -0.0002185700000000, -0.0001724500000000 ] - [ -0.0000572300000000, 0.0003305200000000, -0.0001692800000000 ] - [ 0.0003119800000000, -0.0001150700000000, -0.0001694000000000 ] - [ -0.0002580800000000, -0.0002136400000000, -0.0001698600000000 ] - [ 0.0001436700000000, 0.0003150500000000, -0.0006131700000000 ] - [ -0.0003419100000000, -0.0000346700000000, -0.0006087200000000 ] - [ 0.0002010600000000, -0.0002793600000000, -0.0006054500000000 ] - [ -0.0001465400000000, 0.0003092700000000, -0.0006071000000000 ] - [ 0.0003398900000000, -0.0000274100000000, -0.0006066100000000 ] - [ -0.0001928800000000, -0.0002802300000000, -0.0006057000000000 ]- atom: 53 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002226000000000, -0.0005304700000000, -0.0021308600000000 ] - [ -0.0352966300000000, -0.0393543300000000, 0.0358419100000000 ] - [ 0.0028612900000000, 0.0042867800000000, 0.0058925000000000 ] - [ -0.0012208200000000, 0.0004194000000000, -0.0136095900000000 ] - [ 0.0055591500000000, -0.0031310800000000, 0.0100552200000000 ] - [ 0.0004905100000000, -0.0009114800000000, -0.0053860400000000 ] - [ 0.0004283900000000, -0.0001741100000000, 0.0035746400000000 ] - [ 0.0008075800000000, 0.0015020200000000, -0.0037760700000000 ] - [ 0.0023811700000000, 0.0001059900000000, -0.0022400700000000 ] - [ -0.0000011600000000, 0.0000016100000000, -0.0021212900000000 ] - [ -0.0000198400000000, -0.0006808300000000, -0.0009862500000000 ] - [ 0.0006036700000000, 0.0003253900000000, -0.0009883500000000 ] - [ -0.0005793200000000, 0.0003574700000000, -0.0009850400000000 ] - [ 0.0000251800000000, -0.0006747200000000, -0.0009679900000000 ] - [ -0.0005816100000000, 0.0003233400000000, -0.0009654600000000 ] - [ 0.0005975600000000, 0.0003575700000000, -0.0010769400000000 ] - [ 0.0000003200000000, -0.0000027600000000, -0.0020995300000000 ] - [ -0.0000041600000000, 0.0000029900000000, -0.0021249400000000 ] - [ -0.0000169300000000, -0.0006728200000000, -0.0009739700000000 ] - [ 0.0006043500000000, 0.0003227900000000, -0.0010052000000000 ] - [ -0.0005705700000000, 0.0003599700000000, -0.0010267800000000 ] - [ 0.0000187100000000, -0.0006800100000000, -0.0010184100000000 ] - [ -0.0005995000000000, 0.0003238500000000, -0.0010195200000000 ] - [ 0.0005796600000000, 0.0003542200000000, -0.0010201100000000 ] - [ -0.0000587400000000, 0.0001140200000000, -0.0004228200000000 ] - [ -0.0012852500000000, 0.0002336400000000, 0.0001656300000000 ] - [ -0.0004240300000000, 0.0036457800000000, 0.0014258000000000 ] - [ 0.0000302100000000, 0.0000372100000000, -0.0007182700000000 ] - [ -0.0000007000000000, 0.0000001000000000, -0.0003306000000000 ] - [ 0.0000005800000000, 0.0000002600000000, -0.0003755000000000 ] - [ 0.0000008300000000, 0.0000010800000000, -0.0007503400000000 ] - [ -0.0000771300000000, -0.0001544500000000, -0.0007118600000000 ] - [ -0.0000533900000000, 0.0000274300000000, -0.0003648400000000 ] - [ -0.0000007500000000, 0.0000005200000000, -0.0004051100000000 ] - [ 0.0000009200000000, 0.0000015700000000, -0.0007614800000000 ] - [ -0.0000003500000000, -0.0000006000000000, -0.0007656800000000 ] - [ -0.0004487400000000, -0.0008102500000000, -0.0010788900000000 ] - [ -0.0050840100000000, 0.0002974400000000, 0.0066825100000000 ] - [ -0.0012014200000000, 0.0005414000000000, -0.0015931900000000 ] - [ -0.0038897700000000, 0.0018006100000000, 0.0120397600000000 ] - [ 0.0045716300000000, 0.0048721700000000, -0.0060690800000000 ] - [ -0.0078577300000000, -0.0102647700000000, 0.0098795900000000 ] - [ -0.0008494600000000, 0.0008850800000000, 0.0006426100000000 ] - [ 0.0001178800000000, -0.0006922400000000, -0.0038169200000000 ] - [ 0.0007734200000000, -0.0002069300000000, 0.0000989900000000 ] - [ -0.0163946700000000, -0.0030632100000000, 0.0125454200000000 ] - [ 0.0000107900000000, -0.0040988700000000, 0.0005877900000000 ] - [ -0.0026882200000000, 0.0035322500000000, 0.0017510800000000 ] - [ -0.0032274900000000, 0.0015381300000000, -0.0068329900000000 ] - [ 0.0002835900000000, -0.0005670500000000, 0.0000784700000000 ] - [ 0.0006868500000000, 0.0001110600000000, 0.0001069900000000 ] - [ -0.0017834600000000, -0.0007042500000000, 0.0005226800000000 ] - [ 0.0811241600000000, 0.0553600900000000, -0.0405203800000000 ] - [ -0.0218038800000000, -0.0046467800000000, -0.0101267700000000 ] - [ 0.0046913900000000, -0.0106605900000000, -0.0093311900000000 ] - [ 0.0000568800000000, 0.0002614200000000, 0.0001705700000000 ] - [ -0.0005906500000000, -0.0002147400000000, 0.0016425400000000 ] - [ 0.0000984400000000, 0.0004336800000000, 0.0018038700000000 ] - [ 0.0004275800000000, 0.0003118700000000, 0.0007745000000000 ] - [ -0.0004839000000000, 0.0002141000000000, 0.0007750400000000 ] - [ 0.0000568700000000, -0.0005253300000000, 0.0007743700000000 ] - [ -0.0004324800000000, 0.0003110500000000, 0.0007502500000000 ] - [ 0.0004706600000000, 0.0002116100000000, 0.0007417100000000 ] - [ -0.0000695200000000, -0.0005259700000000, 0.0007559100000000 ] - [ 0.0000054900000000, 0.0000065300000000, 0.0002368600000000 ] - [ -0.0000013200000000, -0.0000014600000000, 0.0002354500000000 ] - [ -0.0000101100000000, -0.0000214500000000, -0.0001672700000000 ] - [ -0.0000001100000000, -0.0000003500000000, -0.0001754600000000 ] - [ 0.0000523500000000, 0.0004100400000000, 0.0002741000000000 ] - [ -0.0003817400000000, -0.0001583700000000, 0.0002739100000000 ] - [ 0.0003258700000000, -0.0002507900000000, 0.0002737300000000 ] - [ -0.0000583000000000, 0.0004164800000000, 0.0002665700000000 ] - [ 0.0003507700000000, -0.0001501000000000, 0.0002727900000000 ] - [ -0.0003382200000000, -0.0002565000000000, 0.0002690100000000 ] - [ -0.0002421900000000, -0.0001654500000000, 0.0010337200000000 ] - [ 0.0002634300000000, -0.0001267300000000, 0.0010319500000000 ] - [ -0.0000220700000000, 0.0002907400000000, 0.0010316000000000 ] - [ 0.0000602800000000, -0.0001432800000000, 0.0009608000000000 ] - [ -0.0008585600000000, -0.0000578600000000, 0.0010385100000000 ] - [ -0.0000928400000000, 0.0003204300000000, 0.0010384200000000 ] - [ 0.0004000500000000, 0.0003231200000000, 0.0007186600000000 ] - [ -0.0005042900000000, 0.0002502200000000, 0.0007790500000000 ] - [ 0.0000727900000000, -0.0005229300000000, 0.0007850200000000 ] - [ -0.0004302600000000, 0.0003123200000000, 0.0007781200000000 ] - [ 0.0004853100000000, 0.0002161800000000, 0.0007770600000000 ] - [ -0.0000547500000000, -0.0005287800000000, 0.0007782700000000 ] - [ 0.0000028900000000, 0.0000012000000000, 0.0002345700000000 ] - [ 0.0000014200000000, -0.0000073400000000, 0.0002377000000000 ] - [ 0.0000002000000000, 0.0000002900000000, -0.0001762300000000 ] - [ -0.0000016100000000, 0.0000021500000000, -0.0001832500000000 ] - [ 0.0000522700000000, 0.0004099700000000, 0.0002701600000000 ] - [ -0.0003892200000000, -0.0001636300000000, 0.0002706200000000 ] - [ 0.0003266100000000, -0.0002448300000000, 0.0002677300000000 ] - [ -0.0000530300000000, 0.0004117400000000, 0.0002754800000000 ] - [ 0.0003809700000000, -0.0001591900000000, 0.0002751300000000 ] - [ -0.0003303300000000, -0.0002509200000000, 0.0002750600000000 ] - [ -0.0002452500000000, -0.0001674600000000, 0.0010292900000000 ] - [ 0.0002677500000000, -0.0001286600000000, 0.0010269200000000 ] - [ -0.0000217100000000, 0.0002942100000000, 0.0010214500000000 ] - [ 0.0002409400000000, -0.0001720300000000, 0.0010266700000000 ] - [ -0.0002706400000000, -0.0001219800000000, 0.0010277600000000 ] - [ 0.0000306400000000, 0.0002961600000000, 0.0010280400000000 ]- atom: 53 displacement: [ -0.0050000000082145, 0.0086602540331018, 0.0000000000000000 ] forces: - [ -0.0003940900000000, -0.0004895000000000, 0.0005284800000000 ] - [ 0.0161498600000000, 0.0413098700000000, -0.0275067000000000 ] - [ 0.0015338700000000, -0.0064379900000000, -0.0077224600000000 ] - [ -0.0052467300000000, 0.0058842500000000, 0.0076627000000000 ] - [ 0.0031779700000000, -0.0009401300000000, -0.0034447400000000 ] - [ 0.0006243000000000, -0.0007146800000000, -0.0042060100000000 ] - [ 0.0009119300000000, -0.0000821500000000, 0.0056462100000000 ] - [ -0.0004782900000000, 0.0000033200000000, 0.0040358200000000 ] - [ -0.0015641100000000, 0.0002652900000000, 0.0003809600000000 ] - [ -0.0000017500000000, -0.0000030300000000, 0.0005434700000000 ] - [ 0.0001111400000000, -0.0005312200000000, 0.0012271100000000 ] - [ 0.0004075700000000, 0.0003628800000000, 0.0012255000000000 ] - [ -0.0005146900000000, 0.0001703400000000, 0.0012257500000000 ] - [ -0.0001070200000000, -0.0005310000000000, 0.0012128000000000 ] - [ -0.0004078200000000, 0.0003349800000000, 0.0012594100000000 ] - [ 0.0005083900000000, 0.0001832300000000, 0.0012167900000000 ] - [ 0.0000002700000000, -0.0000009100000000, 0.0005679100000000 ] - [ -0.0000006100000000, 0.0000036500000000, 0.0005478400000000 ] - [ 0.0001087400000000, -0.0005282600000000, 0.0012372300000000 ] - [ 0.0004068600000000, 0.0003554000000000, 0.0012012100000000 ] - [ -0.0005031800000000, 0.0001676600000000, 0.0012266900000000 ] - [ -0.0001127100000000, -0.0005301300000000, 0.0011976500000000 ] - [ -0.0004027900000000, 0.0003612100000000, 0.0011984900000000 ] - [ 0.0005140900000000, 0.0001665800000000, 0.0011978600000000 ] - [ 0.0000863800000000, -0.0001940800000000, 0.0001362400000000 ] - [ -0.0033553700000000, -0.0019686300000000, -0.0022138500000000 ] - [ 0.0002677300000000, -0.0014533100000000, -0.0030184700000000 ] - [ 0.0000694500000000, -0.0000149600000000, -0.0002817800000000 ] - [ -0.0000007400000000, 0.0000008200000000, 0.0001440800000000 ] - [ -0.0000001100000000, 0.0000003900000000, 0.0001037200000000 ] - [ 0.0000007700000000, 0.0000009200000000, -0.0002951900000000 ] - [ 0.0000948800000000, 0.0000524400000000, -0.0003243000000000 ] - [ -0.0000215000000000, 0.0000698900000000, 0.0000908500000000 ] - [ -0.0000009400000000, 0.0000013100000000, 0.0000718900000000 ] - [ 0.0000013100000000, 0.0000015100000000, -0.0003057500000000 ] - [ 0.0000000200000000, 0.0000001000000000, -0.0003122200000000 ] - [ 0.0002525800000000, 0.0006337000000000, 0.0009973900000000 ] - [ 0.0010392700000000, 0.0014492400000000, -0.0058597800000000 ] - [ -0.0004432100000000, -0.0006189800000000, 0.0005672700000000 ] - [ -0.0031881500000000, -0.0056444300000000, 0.0089113200000000 ] - [ -0.0023622600000000, 0.0030112700000000, -0.0109017200000000 ] - [ 0.0064167000000000, 0.0105720400000000, -0.0091636900000000 ] - [ 0.0003003500000000, 0.0008661600000000, -0.0000499400000000 ] - [ 0.0009545700000000, 0.0005994000000000, 0.0027968700000000 ] - [ 0.0005220800000000, -0.0007491600000000, -0.0006865200000000 ] - [ -0.0021801700000000, -0.0014700900000000, 0.0047781600000000 ] - [ 0.0022380900000000, 0.0053337100000000, -0.0041598900000000 ] - [ -0.0021430800000000, 0.0024267800000000, 0.0035075100000000 ] - [ -0.0091511500000000, 0.0023625300000000, -0.0079878400000000 ] - [ 0.0005215500000000, 0.0003420600000000, -0.0003324600000000 ] - [ -0.0003389000000000, 0.0007574400000000, -0.0002997500000000 ] - [ -0.0018199600000000, -0.0011848400000000, 0.0000583500000000 ] - [ -0.0084077600000000, -0.0707505000000000, 0.0359110900000000 ] - [ 0.0057754100000000, -0.0020618700000000, 0.0073015400000000 ] - [ -0.0010843600000000, 0.0181356700000000, 0.0065238100000000 ] - [ -0.0001457200000000, 0.0004992100000000, -0.0007448600000000 ] - [ 0.0007343700000000, 0.0000709200000000, -0.0011441400000000 ] - [ -0.0000510200000000, 0.0000251700000000, 0.0008553800000000 ] - [ 0.0001972000000000, -0.0000921100000000, -0.0007402400000000 ] - [ -0.0000180700000000, 0.0002170500000000, -0.0007399900000000 ] - [ -0.0001787500000000, -0.0001241200000000, -0.0007408000000000 ] - [ -0.0001939100000000, -0.0000918000000000, -0.0007503100000000 ] - [ 0.0000220400000000, 0.0002179000000000, -0.0007588100000000 ] - [ 0.0001899800000000, -0.0001228500000000, -0.0007555500000000 ] - [ 0.0000096000000000, -0.0000003100000000, -0.0001448900000000 ] - [ -0.0000014800000000, -0.0000019700000000, -0.0001491500000000 ] - [ -0.0000049100000000, 0.0000044800000000, -0.0006249600000000 ] - [ 0.0000002400000000, -0.0000000300000000, -0.0006097500000000 ] - [ 0.0000538600000000, 0.0003494600000000, -0.0000770100000000 ] - [ -0.0003288600000000, -0.0001263300000000, -0.0000771800000000 ] - [ 0.0002719500000000, -0.0002205600000000, -0.0000773500000000 ] - [ -0.0000501700000000, 0.0003555700000000, -0.0000691400000000 ] - [ 0.0003259900000000, -0.0001326100000000, -0.0000895500000000 ] - [ -0.0002603200000000, -0.0002180400000000, -0.0000765400000000 ] - [ 0.0000699700000000, 0.0002270300000000, -0.0002565800000000 ] - [ -0.0002297000000000, -0.0000526600000000, -0.0002559800000000 ] - [ 0.0001607700000000, -0.0001733200000000, -0.0002587200000000 ] - [ 0.0002142800000000, 0.0002890800000000, -0.0003878700000000 ] - [ 0.0004607700000000, -0.0000902400000000, -0.0002996400000000 ] - [ -0.0000453700000000, -0.0001913700000000, -0.0002662700000000 ] - [ 0.0001887400000000, -0.0001063200000000, -0.0007793100000000 ] - [ -0.0000102800000000, 0.0002614100000000, -0.0007585500000000 ] - [ -0.0001399700000000, -0.0000727200000000, -0.0007809700000000 ] - [ -0.0001994400000000, -0.0000942300000000, -0.0007422500000000 ] - [ 0.0000174400000000, 0.0002195700000000, -0.0007426400000000 ] - [ 0.0001820300000000, -0.0001247900000000, -0.0007438400000000 ] - [ 0.0000023000000000, 0.0000006800000000, -0.0001511100000000 ] - [ -0.0000058700000000, -0.0000052700000000, -0.0001434400000000 ] - [ 0.0000005200000000, 0.0000006600000000, -0.0006081500000000 ] - [ -0.0000000400000000, 0.0000003800000000, -0.0006184700000000 ] - [ 0.0000541700000000, 0.0003568600000000, -0.0000766300000000 ] - [ -0.0003306300000000, -0.0001279800000000, -0.0000789000000000 ] - [ 0.0002737100000000, -0.0002190500000000, -0.0000793000000000 ] - [ -0.0000553700000000, 0.0003509900000000, -0.0000745500000000 ] - [ 0.0003297000000000, -0.0001274000000000, -0.0000750900000000 ] - [ -0.0002774000000000, -0.0002208000000000, -0.0000757000000000 ] - [ 0.0000700600000000, 0.0002296600000000, -0.0002676300000000 ] - [ -0.0002318500000000, -0.0000537800000000, -0.0002697100000000 ] - [ 0.0001635800000000, -0.0001743300000000, -0.0002681800000000 ] - [ -0.0000744400000000, 0.0002252700000000, -0.0002647000000000 ] - [ 0.0002314200000000, -0.0000478300000000, -0.0002642300000000 ] - [ -0.0001557600000000, -0.0001747000000000, -0.0002636700000000 ]- atom: 53 displacement: [ 0.0050000000082145, -0.0086602540331018, 0.0000000000000000 ] forces: - [ 0.0003975900000000, 0.0004907500000000, -0.0013708500000000 ] - [ -0.0153432400000000, -0.0412490400000000, 0.0261622000000000 ] - [ -0.0014547700000000, 0.0052877800000000, 0.0083731600000000 ] - [ 0.0061329500000000, -0.0051048100000000, -0.0070460600000000 ] - [ -0.0042198300000000, 0.0014280300000000, 0.0041761100000000 ] - [ -0.0007545100000000, -0.0004689400000000, 0.0050563400000000 ] - [ -0.0018707600000000, 0.0007707700000000, -0.0048238900000000 ] - [ 0.0015657300000000, 0.0004787900000000, -0.0032171100000000 ] - [ 0.0015146700000000, -0.0002740700000000, -0.0012288100000000 ] - [ -0.0000009400000000, 0.0000055900000000, -0.0013865200000000 ] - [ 0.0000139500000000, -0.0006465700000000, -0.0003852600000000 ] - [ 0.0005564100000000, 0.0003363900000000, -0.0003862000000000 ] - [ -0.0005659100000000, 0.0003118200000000, -0.0003837500000000 ] - [ -0.0000100800000000, -0.0006421300000000, -0.0003881800000000 ] - [ -0.0005453900000000, 0.0003480400000000, -0.0004345700000000 ] - [ 0.0005626300000000, 0.0002994300000000, -0.0003923900000000 ] - [ -0.0000001200000000, -0.0000007500000000, -0.0013645700000000 ] - [ -0.0000033900000000, -0.0000002800000000, -0.0013895400000000 ] - [ 0.0000093600000000, -0.0006405200000000, -0.0004128800000000 ] - [ 0.0005503600000000, 0.0003329000000000, -0.0003766900000000 ] - [ -0.0005646200000000, 0.0003155300000000, -0.0004012300000000 ] - [ -0.0000146000000000, -0.0006463400000000, -0.0004170500000000 ] - [ -0.0005518400000000, 0.0003337400000000, -0.0004164700000000 ] - [ 0.0005654000000000, 0.0003092300000000, -0.0004165700000000 ] - [ -0.0000855300000000, 0.0001922600000000, -0.0003447000000000 ] - [ 0.0033751400000000, 0.0019246900000000, 0.0021608000000000 ] - [ -0.0001195600000000, 0.0011853800000000, 0.0019728200000000 ] - [ -0.0000713900000000, 0.0000139400000000, -0.0006398500000000 ] - [ -0.0000008600000000, 0.0000005000000000, -0.0002027800000000 ] - [ 0.0000003400000000, -0.0000000700000000, -0.0002481700000000 ] - [ 0.0000004700000000, 0.0000018300000000, -0.0006261100000000 ] - [ -0.0000937800000000, -0.0000495700000000, -0.0006199300000000 ] - [ 0.0000190400000000, -0.0000703300000000, -0.0002315500000000 ] - [ 0.0000004300000000, 0.0000002700000000, -0.0002760100000000 ] - [ 0.0000003700000000, 0.0000020800000000, -0.0006375300000000 ] - [ -0.0000000500000000, 0.0000000200000000, -0.0006416400000000 ] - [ 0.0003313400000000, -0.0005149900000000, -0.0013289200000000 ] - [ -0.0013527700000000, -0.0010476900000000, 0.0053639500000000 ] - [ 0.0002551100000000, 0.0000689000000000, -0.0009189000000000 ] - [ 0.0026145300000000, 0.0058138300000000, -0.0093030600000000 ] - [ 0.0027229200000000, -0.0025612000000000, 0.0104968900000000 ] - [ -0.0063132100000000, -0.0111282900000000, 0.0088496900000000 ] - [ -0.0003018300000000, -0.0008599200000000, 0.0000319000000000 ] - [ -0.0009837000000000, -0.0006694900000000, -0.0028594800000000 ] - [ -0.0005248000000000, 0.0007505800000000, -0.0002168600000000 ] - [ 0.0022154900000000, 0.0014675300000000, -0.0056575700000000 ] - [ -0.0021489100000000, -0.0045853900000000, 0.0043081100000000 ] - [ 0.0014199600000000, -0.0026981800000000, -0.0033499900000000 ] - [ 0.0098025600000000, -0.0028215700000000, 0.0081983800000000 ] - [ -0.0006297900000000, 0.0004065600000000, 0.0004327400000000 ] - [ 0.0010346700000000, -0.0010385600000000, 0.0004015000000000 ] - [ 0.0012290500000000, 0.0007246000000000, 0.0000440800000000 ] - [ 0.0074479900000000, 0.0708195100000000, -0.0347425600000000 ] - [ -0.0059329600000000, 0.0018759800000000, -0.0068410300000000 ] - [ 0.0013587900000000, -0.0178935600000000, -0.0060583800000000 ] - [ 0.0002299000000000, -0.0003197800000000, 0.0011659400000000 ] - [ -0.0006322700000000, -0.0002301600000000, 0.0015743600000000 ] - [ -0.0001432600000000, -0.0000424200000000, -0.0004342600000000 ] - [ 0.0003654000000000, 0.0002038900000000, 0.0003646400000000 ] - [ -0.0003593000000000, 0.0002145700000000, 0.0003649300000000 ] - [ -0.0000065500000000, -0.0004176300000000, 0.0003642300000000 ] - [ -0.0003655600000000, 0.0001980400000000, 0.0003333700000000 ] - [ 0.0003501900000000, 0.0002149700000000, 0.0003416600000000 ] - [ -0.0000008600000000, -0.0004150000000000, 0.0003369500000000 ] - [ -0.0000094500000000, 0.0000057300000000, 0.0001343500000000 ] - [ -0.0000012300000000, -0.0000018400000000, 0.0001317600000000 ] - [ 0.0000053400000000, -0.0000036500000000, -0.0002915800000000 ] - [ -0.0000004000000000, 0.0000002200000000, -0.0002921200000000 ] - [ 0.0000526100000000, 0.0003948800000000, 0.0001802800000000 ] - [ -0.0003691200000000, -0.0001507500000000, 0.0001803100000000 ] - [ 0.0003129200000000, -0.0002426000000000, 0.0001798800000000 ] - [ -0.0000575200000000, 0.0003890500000000, 0.0001676700000000 ] - [ 0.0003716000000000, -0.0001457400000000, 0.0001873700000000 ] - [ -0.0003344500000000, -0.0002471600000000, 0.0001743900000000 ] - [ -0.0001545500000000, -0.0000536100000000, 0.0006802900000000 ] - [ 0.0001247000000000, -0.0001075000000000, 0.0006813300000000 ] - [ 0.0000317700000000, 0.0001600700000000, 0.0006810600000000 ] - [ -0.0001209500000000, -0.0001147700000000, 0.0008005700000000 ] - [ -0.0003476700000000, -0.0000738400000000, 0.0007087100000000 ] - [ -0.0001412200000000, 0.0001817800000000, 0.0006733500000000 ] - [ 0.0003720200000000, 0.0002121100000000, 0.0003634500000000 ] - [ -0.0003628900000000, 0.0001720900000000, 0.0003395600000000 ] - [ -0.0000486100000000, -0.0004651900000000, 0.0003624700000000 ] - [ -0.0003688700000000, 0.0002051100000000, 0.0003683100000000 ] - [ 0.0003615600000000, 0.0002171200000000, 0.0003682300000000 ] - [ 0.0000073900000000, -0.0004222900000000, 0.0003697700000000 ] - [ 0.0000020600000000, 0.0000007600000000, 0.0001310500000000 ] - [ 0.0000026600000000, 0.0000046500000000, 0.0001320100000000 ] - [ 0.0000006700000000, 0.0000006300000000, -0.0002929500000000 ] - [ -0.0000020100000000, -0.0000022900000000, -0.0003021400000000 ] - [ 0.0000494600000000, 0.0003883700000000, 0.0001740500000000 ] - [ -0.0003670500000000, -0.0001501300000000, 0.0001762700000000 ] - [ 0.0003172600000000, -0.0002461000000000, 0.0001756600000000 ] - [ -0.0000541500000000, 0.0003963900000000, 0.0001820000000000 ] - [ 0.0003687300000000, -0.0001514400000000, 0.0001815300000000 ] - [ -0.0003178900000000, -0.0002427900000000, 0.0001811200000000 ] - [ -0.0001570400000000, -0.0000547600000000, 0.0006725000000000 ] - [ 0.0001267200000000, -0.0001099400000000, 0.0006773700000000 ] - [ 0.0000316500000000, 0.0001630500000000, 0.0006752900000000 ] - [ 0.0001541700000000, -0.0000612100000000, 0.0006754900000000 ] - [ -0.0001321900000000, -0.0001026000000000, 0.0006776200000000 ] - [ -0.0000217900000000, 0.0001667600000000, 0.0006768300000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002203000000000, -0.0002433000000000, -0.0077070200000000 ] - [ -0.0243979200000000, -0.0363699400000000, 0.0542986400000000 ] - [ 0.0004553000000000, 0.0050094400000000, 0.0269695900000000 ] - [ 0.0076241000000000, -0.0074767500000000, 0.0207792000000000 ] - [ -0.0037977800000000, -0.0014515900000000, 0.0271159900000000 ] - [ 0.0005409500000000, -0.0014909600000000, -0.0089745600000000 ] - [ -0.0009102900000000, 0.0001885100000000, -0.0075654100000000 ] - [ 0.0011557600000000, 0.0008881600000000, -0.0035034300000000 ] - [ 0.0093693700000000, 0.0004796000000000, -0.0079716700000000 ] - [ 0.0000084400000000, -0.0000188400000000, -0.0076828900000000 ] - [ -0.0002935100000000, -0.0010151900000000, -0.0056416000000000 ] - [ 0.0010287900000000, 0.0002535600000000, -0.0056461000000000 ] - [ -0.0007297100000000, 0.0007617900000000, -0.0056381200000000 ] - [ 0.0003333000000000, -0.0010412600000000, -0.0058111100000000 ] - [ -0.0009939700000000, 0.0002609500000000, -0.0055867700000000 ] - [ 0.0007527200000000, 0.0007747600000000, -0.0056528000000000 ] - [ 0.0000005000000000, 0.0000001500000000, -0.0076568200000000 ] - [ -0.0000008500000000, 0.0000051600000000, -0.0076778800000000 ] - [ -0.0002945800000000, -0.0010089900000000, -0.0056269000000000 ] - [ 0.0010353200000000, 0.0002454000000000, -0.0056892500000000 ] - [ -0.0007231000000000, 0.0007580600000000, -0.0056539500000000 ] - [ 0.0002924700000000, -0.0010149200000000, -0.0056732100000000 ] - [ -0.0010229400000000, 0.0002512700000000, -0.0056719500000000 ] - [ 0.0007299800000000, 0.0007595000000000, -0.0056713600000000 ] - [ -0.0003364100000000, 0.0006471000000000, -0.0013279400000000 ] - [ 0.0044656200000000, 0.0010932300000000, 0.0083388500000000 ] - [ -0.0008280900000000, 0.0020924900000000, 0.0061112300000000 ] - [ 0.0000250500000000, -0.0000187300000000, -0.0017361600000000 ] - [ -0.0000006900000000, -0.0000002800000000, -0.0013573300000000 ] - [ 0.0000003800000000, -0.0000014300000000, -0.0014021300000000 ] - [ 0.0000021600000000, 0.0000031900000000, -0.0017197200000000 ] - [ -0.0005674200000000, -0.0006629700000000, -0.0017827900000000 ] - [ -0.0000155000000000, 0.0000218000000000, -0.0013828900000000 ] - [ -0.0000001100000000, -0.0000001200000000, -0.0014305900000000 ] - [ 0.0000007700000000, 0.0000008500000000, -0.0017321500000000 ] - [ -0.0000003800000000, -0.0000009700000000, -0.0017356700000000 ] - [ -0.0007791100000000, -0.0007542400000000, -0.0032436500000000 ] - [ -0.0117454600000000, 0.0018207600000000, 0.0331370200000000 ] - [ -0.0003563700000000, 0.0011761700000000, -0.0042813600000000 ] - [ -0.0104591700000000, 0.0016563700000000, 0.0137254700000000 ] - [ 0.0040821400000000, -0.0070921400000000, 0.0104968300000000 ] - [ -0.0031974700000000, -0.0037946700000000, 0.0076078100000000 ] - [ 0.0005034400000000, 0.0004880300000000, 0.0009828500000000 ] - [ 0.0075865400000000, 0.0102169000000000, 0.0041553300000000 ] - [ -0.0000738600000000, -0.0001309800000000, 0.0005755900000000 ] - [ -0.0159421100000000, -0.0028533300000000, -0.0016412100000000 ] - [ -0.0022656000000000, -0.0120631100000000, -0.0005763300000000 ] - [ -0.0030334900000000, 0.0054079500000000, -0.0014654200000000 ] - [ 0.0159142700000000, -0.0067081600000000, 0.0041602300000000 ] - [ 0.0000216100000000, 0.0010522200000000, 0.0008321500000000 ] - [ -0.0000250000000000, -0.0004517300000000, 0.0010879700000000 ] - [ -0.0011074300000000, -0.0008771300000000, 0.0013973400000000 ] - [ 0.0409706500000000, 0.0642791200000000, -0.1379391600000000 ] - [ -0.0159697600000000, 0.0017857700000000, -0.0268929300000000 ] - [ 0.0071255200000000, -0.0161337200000000, -0.0268861500000000 ] - [ 0.0008058500000000, -0.0010528600000000, 0.0037302100000000 ] - [ -0.0013097100000000, -0.0002702200000000, 0.0037430200000000 ] - [ 0.0003863700000000, 0.0012436600000000, 0.0042897400000000 ] - [ 0.0009195400000000, 0.0011819000000000, 0.0039356800000000 ] - [ -0.0014840800000000, 0.0002050300000000, 0.0039366900000000 ] - [ 0.0005644000000000, -0.0013868600000000, 0.0039351300000000 ] - [ -0.0009657000000000, 0.0011955500000000, 0.0039631500000000 ] - [ 0.0014415500000000, 0.0002048900000000, 0.0038908500000000 ] - [ -0.0006075900000000, -0.0013827900000000, 0.0038995900000000 ] - [ -0.0000228400000000, -0.0000168200000000, 0.0010235700000000 ] - [ -0.0000009700000000, -0.0000014600000000, 0.0010274700000000 ] - [ -0.0000086400000000, -0.0000078600000000, 0.0007454600000000 ] - [ -0.0000006900000000, -0.0000002200000000, 0.0007509900000000 ] - [ 0.0000451700000000, 0.0005418500000000, 0.0010118700000000 ] - [ -0.0004938500000000, -0.0002308400000000, 0.0010116400000000 ] - [ 0.0004440700000000, -0.0003102800000000, 0.0010114100000000 ] - [ -0.0000916800000000, 0.0005353300000000, 0.0010013900000000 ] - [ 0.0004503100000000, -0.0002275500000000, 0.0010245300000000 ] - [ -0.0004829700000000, -0.0002957400000000, 0.0010060500000000 ] - [ -0.0008783000000000, -0.0009527200000000, 0.0037422500000000 ] - [ 0.0012576800000000, -0.0002795800000000, 0.0037317300000000 ] - [ -0.0003890700000000, 0.0012343800000000, 0.0037360300000000 ] - [ 0.0000059500000000, -0.0010114400000000, 0.0037288400000000 ] - [ -0.0027633800000000, -0.0001182700000000, 0.0037330600000000 ] - [ -0.0007395500000000, 0.0014808600000000, 0.0042926500000000 ] - [ 0.0009113000000000, 0.0011709000000000, 0.0038713400000000 ] - [ -0.0015073600000000, 0.0002297000000000, 0.0039797000000000 ] - [ 0.0005874000000000, -0.0013840800000000, 0.0039216800000000 ] - [ -0.0009224500000000, 0.0011823800000000, 0.0039362200000000 ] - [ 0.0014851300000000, 0.0002068100000000, 0.0039352800000000 ] - [ -0.0005626000000000, -0.0013899900000000, 0.0039349200000000 ] - [ 0.0000026800000000, 0.0000013400000000, 0.0010263800000000 ] - [ -0.0000026100000000, -0.0000077700000000, 0.0010293600000000 ] - [ -0.0000001800000000, 0.0000002300000000, 0.0007502100000000 ] - [ 0.0000023000000000, 0.0000011500000000, 0.0007410700000000 ] - [ 0.0000467300000000, 0.0005514200000000, 0.0010089600000000 ] - [ -0.0004949600000000, -0.0002358100000000, 0.0010082000000000 ] - [ 0.0004365900000000, -0.0003060400000000, 0.0010047900000000 ] - [ -0.0000468400000000, 0.0005442200000000, 0.0010131600000000 ] - [ 0.0004929600000000, -0.0002309000000000, 0.0010130600000000 ] - [ -0.0004484200000000, -0.0003116300000000, 0.0010130800000000 ] - [ -0.0008765000000000, -0.0009506600000000, 0.0037331500000000 ] - [ 0.0012617600000000, -0.0002832400000000, 0.0037283700000000 ] - [ -0.0003840800000000, 0.0012309600000000, 0.0037221000000000 ] - [ 0.0008726700000000, -0.0009571200000000, 0.0037297100000000 ] - [ -0.0012657400000000, -0.0002768300000000, 0.0037300300000000 ] - [ 0.0003935400000000, 0.0012342100000000, 0.0037305400000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002233200000000, 0.0002436000000000, 0.0067579700000000 ] - [ 0.0256767400000000, 0.0382377800000000, -0.0554903700000000 ] - [ -0.0003293700000000, -0.0061307000000000, -0.0259135900000000 ] - [ -0.0069861300000000, 0.0076475800000000, -0.0167695500000000 ] - [ 0.0026577700000000, 0.0019438000000000, -0.0260356900000000 ] - [ -0.0006622600000000, 0.0002989900000000, 0.0097393300000000 ] - [ -0.0000579300000000, 0.0004990700000000, 0.0083305200000000 ] - [ -0.0000523700000000, -0.0003862000000000, 0.0041977700000000 ] - [ -0.0092326000000000, -0.0004738000000000, 0.0070064400000000 ] - [ -0.0000095000000000, 0.0000192000000000, 0.0067350600000000 ] - [ 0.0004149300000000, -0.0001733700000000, 0.0063864200000000 ] - [ -0.0000556700000000, 0.0004450800000000, 0.0063899200000000 ] - [ -0.0003558000000000, -0.0002710500000000, 0.0063827100000000 ] - [ -0.0004463400000000, -0.0001423100000000, 0.0065394600000000 ] - [ 0.0000321500000000, 0.0004229600000000, 0.0063182700000000 ] - [ 0.0003265200000000, -0.0002837600000000, 0.0063842500000000 ] - [ 0.0000002000000000, 0.0000000300000000, 0.0067521300000000 ] - [ -0.0000015000000000, -0.0000031400000000, 0.0067274400000000 ] - [ 0.0004092500000000, -0.0001688800000000, 0.0063539900000000 ] - [ -0.0000677100000000, 0.0004433500000000, 0.0064142800000000 ] - [ -0.0003507900000000, -0.0002680400000000, 0.0063796900000000 ] - [ -0.0004165800000000, -0.0001720100000000, 0.0063543900000000 ] - [ 0.0000615100000000, 0.0004440600000000, 0.0063553200000000 ] - [ 0.0003547100000000, -0.0002760800000000, 0.0063546500000000 ] - [ 0.0003302300000000, -0.0006371100000000, 0.0011040700000000 ] - [ -0.0046146900000000, -0.0011102800000000, -0.0084014800000000 ] - [ 0.0008621000000000, -0.0021608400000000, -0.0070678800000000 ] - [ -0.0000268300000000, 0.0000174200000000, 0.0007894900000000 ] - [ -0.0000002800000000, -0.0000002800000000, 0.0012815900000000 ] - [ -0.0000000800000000, 0.0000018100000000, 0.0012425600000000 ] - [ -0.0000009500000000, -0.0000013400000000, 0.0007732700000000 ] - [ 0.0005551200000000, 0.0006499900000000, 0.0008096300000000 ] - [ 0.0000147500000000, -0.0000226600000000, 0.0012214000000000 ] - [ -0.0000000700000000, 0.0000010000000000, 0.0012090700000000 ] - [ 0.0000003800000000, 0.0000013500000000, 0.0007630900000000 ] - [ -0.0000002000000000, -0.0000006700000000, 0.0007564100000000 ] - [ 0.0013219900000000, 0.0008293300000000, 0.0028534800000000 ] - [ 0.0112286900000000, -0.0013371300000000, -0.0328050500000000 ] - [ 0.0001468300000000, -0.0016856900000000, 0.0038752500000000 ] - [ 0.0100532200000000, -0.0016208500000000, -0.0141669800000000 ] - [ -0.0037857400000000, 0.0075959500000000, -0.0109014800000000 ] - [ 0.0033017500000000, 0.0031363300000000, -0.0078282400000000 ] - [ -0.0005188100000000, -0.0004825400000000, -0.0009778800000000 ] - [ -0.0074392100000000, -0.0100205400000000, -0.0040820100000000 ] - [ 0.0000762400000000, 0.0001328500000000, -0.0014737700000000 ] - [ 0.0157157300000000, 0.0028109800000000, 0.0006194500000000 ] - [ 0.0023417000000000, 0.0125991200000000, 0.0006486800000000 ] - [ 0.0022822000000000, -0.0056065400000000, 0.0015399400000000 ] - [ -0.0150148300000000, 0.0060976000000000, -0.0039897100000000 ] - [ -0.0001389300000000, -0.0003374100000000, -0.0007176200000000 ] - [ 0.0007174800000000, 0.0001850200000000, -0.0009759200000000 ] - [ 0.0005316000000000, 0.0004210500000000, -0.0012889600000000 ] - [ -0.0417090600000000, -0.0650614100000000, 0.1347502700000000 ] - [ 0.0157937600000000, -0.0020183600000000, 0.0271560200000000 ] - [ -0.0070218200000000, 0.0160215200000000, 0.0271628900000000 ] - [ -0.0006951800000000, 0.0011863900000000, -0.0032601500000000 ] - [ 0.0013586000000000, 0.0001048900000000, -0.0032594200000000 ] - [ -0.0005530600000000, -0.0012167300000000, -0.0038222900000000 ] - [ -0.0003588800000000, -0.0010808000000000, -0.0042363000000000 ] - [ 0.0011157000000000, 0.0002289700000000, -0.0042375800000000 ] - [ -0.0007556800000000, 0.0008510700000000, -0.0042353900000000 ] - [ 0.0004075100000000, -0.0010987300000000, -0.0043085500000000 ] - [ -0.0010797400000000, 0.0002289800000000, -0.0042373300000000 ] - [ 0.0008027000000000, 0.0008515300000000, -0.0042472200000000 ] - [ 0.0000231100000000, 0.0000229500000000, -0.0010056300000000 ] - [ -0.0000018300000000, -0.0000014200000000, -0.0010159800000000 ] - [ 0.0000090400000000, 0.0000076500000000, -0.0016640300000000 ] - [ 0.0000010800000000, -0.0000008600000000, -0.0016547200000000 ] - [ 0.0000666400000000, 0.0001944400000000, -0.0008933800000000 ] - [ -0.0002009200000000, -0.0000383200000000, -0.0008937400000000 ] - [ 0.0001306200000000, -0.0001549000000000, -0.0008935900000000 ] - [ -0.0000220700000000, 0.0002022400000000, -0.0008881600000000 ] - [ 0.0002432400000000, -0.0000420100000000, -0.0009113900000000 ] - [ -0.0001021900000000, -0.0001697500000000, -0.0008926300000000 ] - [ 0.0007670100000000, 0.0010803600000000, -0.0032683600000000 ] - [ -0.0013114500000000, 0.0001179700000000, -0.0032572000000000 ] - [ 0.0005555500000000, -0.0012018000000000, -0.0032633400000000 ] - [ 0.0000972200000000, 0.0011353100000000, -0.0032644400000000 ] - [ 0.0027967600000000, -0.0000421700000000, -0.0032719200000000 ] - [ 0.0005561100000000, -0.0014401400000000, -0.0038223600000000 ] - [ -0.0003518900000000, -0.0010725400000000, -0.0042165200000000 ] - [ 0.0011416400000000, 0.0002042900000000, -0.0043245800000000 ] - [ -0.0007804100000000, 0.0008508500000000, -0.0042657900000000 ] - [ 0.0003572300000000, -0.0010812500000000, -0.0042366900000000 ] - [ -0.0011149000000000, 0.0002316100000000, -0.0042367500000000 ] - [ 0.0007581900000000, 0.0008494100000000, -0.0042353900000000 ] - [ 0.0000027300000000, 0.0000013700000000, -0.0010174900000000 ] - [ -0.0000004900000000, 0.0000053500000000, -0.0010129000000000 ] - [ -0.0000003100000000, 0.0000001400000000, -0.0016524700000000 ] - [ -0.0000030000000000, -0.0000026500000000, -0.0016624600000000 ] - [ 0.0000631000000000, 0.0001875400000000, -0.0008969800000000 ] - [ -0.0001998900000000, -0.0000359300000000, -0.0008963500000000 ] - [ 0.0001438800000000, -0.0001601600000000, -0.0008937300000000 ] - [ -0.0000672500000000, 0.0001957200000000, -0.0008911300000000 ] - [ 0.0002008400000000, -0.0000390300000000, -0.0008910700000000 ] - [ -0.0001362900000000, -0.0001548300000000, -0.0008916300000000 ] - [ 0.0007613100000000, 0.0010775600000000, -0.0032733900000000 ] - [ -0.0013126000000000, 0.0001180400000000, -0.0032677000000000 ] - [ 0.0005526700000000, -0.0011945300000000, -0.0032631900000000 ] - [ -0.0007643500000000, 0.0010729400000000, -0.0032664700000000 ] - [ 0.0013110000000000, 0.0001259900000000, -0.0032663800000000 ] - [ -0.0005459400000000, -0.0011988700000000, -0.0032662300000000 ]