# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/125007f7-e666-4f3e-8da7-71da8be80e6f/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 RbAg2SbS4 / P3_221 (154) / materials id 17756](https://mdr.nims.go.jp/datasets/5ad9dc14-4ebf-47c8-a8cf-c67f5742eb07) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P3_221" number: 154 Hall_symbol: "P 32 2\""supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.584439710000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.292219860000000, 5.702292070000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 16.551199860000001 ] # c points: - symbol: S # 1 coordinates: [ 0.664596680000000, 0.901818030000000, 0.338504460000000 ] mass: 32.065000 - symbol: S # 2 coordinates: [ 0.237221340000000, 0.335403320000000, 0.671837800000000 ] mass: 32.065000 - symbol: S # 3 coordinates: [ 0.098181970000000, 0.762778660000000, 0.005171130000000 ] mass: 32.065000 - symbol: S # 4 coordinates: [ 0.901818030000000, 0.664596680000000, 0.661495540000000 ] mass: 32.065000 - symbol: S # 5 coordinates: [ 0.335403320000000, 0.237221340000000, 0.328162200000000 ] mass: 32.065000 - symbol: S # 6 coordinates: [ 0.762778660000000, 0.098181970000000, 0.994828870000000 ] mass: 32.065000 - symbol: S # 7 coordinates: [ 0.976098590000000, 0.484168530000000, 0.218068310000000 ] mass: 32.065000 - symbol: S # 8 coordinates: [ 0.491930060000000, 0.515831470000000, 0.115265020000000 ] mass: 32.065000 - symbol: S # 9 coordinates: [ 0.515831470000000, 0.491930060000000, 0.884734980000000 ] mass: 32.065000 - symbol: S # 10 coordinates: [ 0.484168530000000, 0.976098590000000, 0.781931690000000 ] mass: 32.065000 - symbol: S # 11 coordinates: [ 0.023901410000000, 0.508069940000000, 0.448598360000000 ] mass: 32.065000 - symbol: S # 12 coordinates: [ 0.508069940000000, 0.023901410000000, 0.551401640000000 ] mass: 32.065000 - symbol: Rb # 13 coordinates: [ 0.000000000000000, 0.444250940000000, 0.833333330000000 ] mass: 85.467800 - symbol: Rb # 14 coordinates: [ 0.555749060000000, 0.555749060000000, 0.500000000000000 ] mass: 85.467800 - symbol: Rb # 15 coordinates: [ 0.444250940000000, 0.000000000000000, 0.166666670000000 ] mass: 85.467800 - symbol: Ag # 16 coordinates: [ 0.911230460000000, 0.320260890000000, 0.592946460000000 ] mass: 107.868200 - symbol: Ag # 17 coordinates: [ 0.679739110000000, 0.590969580000000, 0.259613120000000 ] mass: 107.868200 - symbol: Ag # 18 coordinates: [ 0.409030420000000, 0.088769540000000, 0.926279790000000 ] mass: 107.868200 - symbol: Ag # 19 coordinates: [ 0.088769540000000, 0.409030420000000, 0.073720210000000 ] mass: 107.868200 - symbol: Ag # 20 coordinates: [ 0.590969580000000, 0.679739110000000, 0.740386880000000 ] mass: 107.868200 - symbol: Ag # 21 coordinates: [ 0.320260890000000, 0.911230460000000, 0.407053540000000 ] mass: 107.868200 - symbol: Sb # 22 coordinates: [ 0.716540210000000, 0.716540210000000, 0.000000000000000 ] mass: 121.760000 - symbol: Sb # 23 coordinates: [ 0.000000000000000, 0.283459790000000, 0.333333330000000 ] mass: 121.760000 - symbol: Sb # 24 coordinates: [ 0.283459790000000, 0.000000000000000, 0.666666670000000 ] mass: 121.760000 reciprocal_lattice: # without 2pi - [ 0.151873210788348, 0.087684039088402, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.175368077910467, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.060418580432754 ] # c*unit_cell: lattice: - [ 6.584439710000000, 0.000000000000000, 0.000000000000000 ] # a - [ -3.292219860000000, 5.702292070000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 16.551199860000001 ] # c points: - symbol: S # 1 coordinates: [ 0.664596680000000, 0.901818030000000, 0.338504460000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.237221340000000, 0.335403320000000, 0.671837800000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 3 coordinates: [ 0.098181970000000, 0.762778660000000, 0.005171130000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 4 coordinates: [ 0.901818030000000, 0.664596680000000, 0.661495540000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 5 coordinates: [ 0.335403320000000, 0.237221340000000, 0.328162200000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.762778660000000, 0.098181970000000, 0.994828870000000 ] mass: 32.065000 reduced_to: 6 - symbol: S # 7 coordinates: [ 0.976098590000000, 0.484168530000000, 0.218068310000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.491930060000000, 0.515831470000000, 0.115265020000000 ] mass: 32.065000 reduced_to: 8 - symbol: S # 9 coordinates: [ 0.515831470000000, 0.491930060000000, 0.884734980000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.484168530000000, 0.976098590000000, 0.781931690000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 11 coordinates: [ 0.023901410000000, 0.508069940000000, 0.448598360000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.508069940000000, 0.023901410000000, 0.551401640000000 ] mass: 32.065000 reduced_to: 12 - symbol: Rb # 13 coordinates: [ 0.000000000000000, 0.444250940000000, 0.833333330000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 14 coordinates: [ 0.555749060000000, 0.555749060000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 14 - symbol: Rb # 15 coordinates: [ 0.444250940000000, 0.000000000000000, 0.166666670000000 ] mass: 85.467800 reduced_to: 15 - symbol: Ag # 16 coordinates: [ 0.911230460000000, 0.320260890000000, 0.592946460000000 ] mass: 107.868200 reduced_to: 16 - symbol: Ag # 17 coordinates: [ 0.679739110000000, 0.590969580000000, 0.259613120000000 ] mass: 107.868200 reduced_to: 17 - symbol: Ag # 18 coordinates: [ 0.409030420000000, 0.088769540000000, 0.926279790000000 ] mass: 107.868200 reduced_to: 18 - symbol: Ag # 19 coordinates: [ 0.088769540000000, 0.409030420000000, 0.073720210000000 ] mass: 107.868200 reduced_to: 19 - symbol: Ag # 20 coordinates: [ 0.590969580000000, 0.679739110000000, 0.740386880000000 ] mass: 107.868200 reduced_to: 20 - symbol: Ag # 21 coordinates: [ 0.320260890000000, 0.911230460000000, 0.407053540000000 ] mass: 107.868200 reduced_to: 21 - symbol: Sb # 22 coordinates: [ 0.716540210000000, 0.716540210000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 22 - symbol: Sb # 23 coordinates: [ 0.000000000000000, 0.283459790000000, 0.333333330000000 ] mass: 121.760000 reduced_to: 23 - symbol: Sb # 24 coordinates: [ 0.283459790000000, 0.000000000000000, 0.666666670000000 ] mass: 121.760000 reduced_to: 24supercell: lattice: - [ 13.168879420000000, 0.000000000000000, 0.000000000000000 ] # a - [ -6.584439720000000, 11.404584140000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 16.551199860000001 ] # c points: - symbol: S # 1 coordinates: [ 0.332298340000000, 0.450909015000000, 0.338504460000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.832298340000000, 0.450909015000000, 0.338504460000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 3 coordinates: [ 0.332298340000000, 0.950909015000000, 0.338504460000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 4 coordinates: [ 0.832298340000000, 0.950909015000000, 0.338504460000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 5 coordinates: [ 0.118610670000000, 0.167701660000000, 0.671837800000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.618610670000000, 0.167701660000000, 0.671837800000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 7 coordinates: [ 0.118610670000000, 0.667701660000000, 0.671837800000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 8 coordinates: [ 0.618610670000000, 0.667701660000000, 0.671837800000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 9 coordinates: [ 0.049090985000000, 0.381389330000000, 0.005171130000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.549090985000000, 0.381389330000000, 0.005171130000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 11 coordinates: [ 0.049090985000000, 0.881389330000000, 0.005171130000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 12 coordinates: [ 0.549090985000000, 0.881389330000000, 0.005171130000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 13 coordinates: [ 0.450909015000000, 0.332298340000000, 0.661495540000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.950909015000000, 0.332298340000000, 0.661495540000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 15 coordinates: [ 0.450909015000000, 0.832298340000000, 0.661495540000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 16 coordinates: [ 0.950909015000000, 0.832298340000000, 0.661495540000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 17 coordinates: [ 0.167701660000000, 0.118610670000000, 0.328162200000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.667701660000000, 0.118610670000000, 0.328162200000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 19 coordinates: [ 0.167701660000000, 0.618610670000000, 0.328162200000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 20 coordinates: [ 0.667701660000000, 0.618610670000000, 0.328162200000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 21 coordinates: [ 0.381389330000000, 0.049090985000000, 0.994828870000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 22 coordinates: [ 0.881389330000000, 0.049090985000000, 0.994828870000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 23 coordinates: [ 0.381389330000000, 0.549090985000000, 0.994828870000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 24 coordinates: [ 0.881389330000000, 0.549090985000000, 0.994828870000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 25 coordinates: [ 0.488049295000000, 0.242084265000000, 0.218068310000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.988049295000000, 0.242084265000000, 0.218068310000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 27 coordinates: [ 0.488049295000000, 0.742084265000000, 0.218068310000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 28 coordinates: [ 0.988049295000000, 0.742084265000000, 0.218068310000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 29 coordinates: [ 0.245965030000000, 0.257915735000000, 0.115265020000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.745965030000000, 0.257915735000000, 0.115265020000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 31 coordinates: [ 0.245965030000000, 0.757915735000000, 0.115265020000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 32 coordinates: [ 0.745965030000000, 0.757915735000000, 0.115265020000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 33 coordinates: [ 0.257915735000000, 0.245965030000000, 0.884734980000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.757915735000000, 0.245965030000000, 0.884734980000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 35 coordinates: [ 0.257915735000000, 0.745965030000000, 0.884734980000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 36 coordinates: [ 0.757915735000000, 0.745965030000000, 0.884734980000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 37 coordinates: [ 0.242084265000000, 0.488049295000000, 0.781931690000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.742084265000000, 0.488049295000000, 0.781931690000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 39 coordinates: [ 0.242084265000000, 0.988049295000000, 0.781931690000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 40 coordinates: [ 0.742084265000000, 0.988049295000000, 0.781931690000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 41 coordinates: [ 0.011950705000000, 0.254034970000000, 0.448598360000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.511950705000000, 0.254034970000000, 0.448598360000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 43 coordinates: [ 0.011950705000000, 0.754034970000000, 0.448598360000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 44 coordinates: [ 0.511950705000000, 0.754034970000000, 0.448598360000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 45 coordinates: [ 0.254034970000000, 0.011950705000000, 0.551401640000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 46 coordinates: [ 0.754034970000000, 0.011950705000000, 0.551401640000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 47 coordinates: [ 0.254034970000000, 0.511950705000000, 0.551401640000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 48 coordinates: [ 0.754034970000000, 0.511950705000000, 0.551401640000000 ] mass: 32.065000 reduced_to: 45 - symbol: Rb # 49 coordinates: [ 0.000000000000000, 0.222125470000000, 0.833333330000000 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 50 coordinates: [ 0.500000000000000, 0.222125470000000, 0.833333330000000 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 51 coordinates: [ 0.000000000000000, 0.722125470000000, 0.833333330000000 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 52 coordinates: [ 0.500000000000000, 0.722125470000000, 0.833333330000000 ] mass: 85.467800 reduced_to: 49 - symbol: Rb # 53 coordinates: [ 0.277874530000000, 0.277874530000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 53 - symbol: Rb # 54 coordinates: [ 0.777874530000000, 0.277874530000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 53 - symbol: Rb # 55 coordinates: [ 0.277874530000000, 0.777874530000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 53 - symbol: Rb # 56 coordinates: [ 0.777874530000000, 0.777874530000000, 0.500000000000000 ] mass: 85.467800 reduced_to: 53 - symbol: Rb # 57 coordinates: [ 0.222125470000000, 0.000000000000000, 0.166666670000000 ] mass: 85.467800 reduced_to: 57 - symbol: Rb # 58 coordinates: [ 0.722125470000000, 0.000000000000000, 0.166666670000000 ] mass: 85.467800 reduced_to: 57 - symbol: Rb # 59 coordinates: [ 0.222125470000000, 0.500000000000000, 0.166666670000000 ] mass: 85.467800 reduced_to: 57 - symbol: Rb # 60 coordinates: [ 0.722125470000000, 0.500000000000000, 0.166666670000000 ] mass: 85.467800 reduced_to: 57 - symbol: Ag # 61 coordinates: [ 0.455615230000000, 0.160130445000000, 0.592946460000000 ] mass: 107.868200 reduced_to: 61 - symbol: Ag # 62 coordinates: [ 0.955615230000000, 0.160130445000000, 0.592946460000000 ] mass: 107.868200 reduced_to: 61 - symbol: Ag # 63 coordinates: [ 0.455615230000000, 0.660130445000000, 0.592946460000000 ] mass: 107.868200 reduced_to: 61 - symbol: Ag # 64 coordinates: [ 0.955615230000000, 0.660130445000000, 0.592946460000000 ] mass: 107.868200 reduced_to: 61 - symbol: Ag # 65 coordinates: [ 0.339869555000000, 0.295484790000000, 0.259613120000000 ] mass: 107.868200 reduced_to: 65 - symbol: Ag # 66 coordinates: [ 0.839869555000000, 0.295484790000000, 0.259613120000000 ] mass: 107.868200 reduced_to: 65 - symbol: Ag # 67 coordinates: [ 0.339869555000000, 0.795484790000000, 0.259613120000000 ] mass: 107.868200 reduced_to: 65 - symbol: Ag # 68 coordinates: [ 0.839869555000000, 0.795484790000000, 0.259613120000000 ] mass: 107.868200 reduced_to: 65 - symbol: Ag # 69 coordinates: [ 0.204515210000000, 0.044384770000000, 0.926279790000000 ] mass: 107.868200 reduced_to: 69 - symbol: Ag # 70 coordinates: [ 0.704515210000000, 0.044384770000000, 0.926279790000000 ] mass: 107.868200 reduced_to: 69 - symbol: Ag # 71 coordinates: [ 0.204515210000000, 0.544384770000000, 0.926279790000000 ] mass: 107.868200 reduced_to: 69 - symbol: Ag # 72 coordinates: [ 0.704515210000000, 0.544384770000000, 0.926279790000000 ] mass: 107.868200 reduced_to: 69 - symbol: Ag # 73 coordinates: [ 0.044384770000000, 0.204515210000000, 0.073720210000000 ] mass: 107.868200 reduced_to: 73 - symbol: Ag # 74 coordinates: [ 0.544384770000000, 0.204515210000000, 0.073720210000000 ] mass: 107.868200 reduced_to: 73 - symbol: Ag # 75 coordinates: [ 0.044384770000000, 0.704515210000000, 0.073720210000000 ] mass: 107.868200 reduced_to: 73 - symbol: Ag # 76 coordinates: [ 0.544384770000000, 0.704515210000000, 0.073720210000000 ] mass: 107.868200 reduced_to: 73 - symbol: Ag # 77 coordinates: [ 0.295484790000000, 0.339869555000000, 0.740386880000000 ] mass: 107.868200 reduced_to: 77 - symbol: Ag # 78 coordinates: [ 0.795484790000000, 0.339869555000000, 0.740386880000000 ] mass: 107.868200 reduced_to: 77 - symbol: Ag # 79 coordinates: [ 0.295484790000000, 0.839869555000000, 0.740386880000000 ] mass: 107.868200 reduced_to: 77 - symbol: Ag # 80 coordinates: [ 0.795484790000000, 0.839869555000000, 0.740386880000000 ] mass: 107.868200 reduced_to: 77 - symbol: Ag # 81 coordinates: [ 0.160130445000000, 0.455615230000000, 0.407053540000000 ] mass: 107.868200 reduced_to: 81 - symbol: Ag # 82 coordinates: [ 0.660130445000000, 0.455615230000000, 0.407053540000000 ] mass: 107.868200 reduced_to: 81 - symbol: Ag # 83 coordinates: [ 0.160130445000000, 0.955615230000000, 0.407053540000000 ] mass: 107.868200 reduced_to: 81 - symbol: Ag # 84 coordinates: [ 0.660130445000000, 0.955615230000000, 0.407053540000000 ] mass: 107.868200 reduced_to: 81 - symbol: Sb # 85 coordinates: [ 0.358270105000000, 0.358270105000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 85 - symbol: Sb # 86 coordinates: [ 0.858270105000000, 0.358270105000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 85 - symbol: Sb # 87 coordinates: [ 0.358270105000000, 0.858270105000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 85 - symbol: Sb # 88 coordinates: [ 0.858270105000000, 0.858270105000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 85 - symbol: Sb # 89 coordinates: [ 0.000000000000000, 0.141729895000000, 0.333333330000000 ] mass: 121.760000 reduced_to: 89 - symbol: Sb # 90 coordinates: [ 0.500000000000000, 0.141729895000000, 0.333333330000000 ] mass: 121.760000 reduced_to: 89 - symbol: Sb # 91 coordinates: [ 0.000000000000000, 0.641729895000000, 0.333333330000000 ] mass: 121.760000 reduced_to: 89 - symbol: Sb # 92 coordinates: [ 0.500000000000000, 0.641729895000000, 0.333333330000000 ] mass: 121.760000 reduced_to: 89 - symbol: Sb # 93 coordinates: [ 0.141729895000000, 0.000000000000000, 0.666666670000000 ] mass: 121.760000 reduced_to: 93 - symbol: Sb # 94 coordinates: [ 0.641729895000000, 0.000000000000000, 0.666666670000000 ] mass: 121.760000 reduced_to: 93 - symbol: Sb # 95 coordinates: [ 0.141729895000000, 0.500000000000000, 0.666666670000000 ] mass: 121.760000 reduced_to: 93 - symbol: Sb # 96 coordinates: [ 0.641729895000000, 0.500000000000000, 0.666666670000000 ] mass: 121.760000 reduced_to: 93born_effective_charge:- # 1 (S) - [ -1.689109580000000, -0.909489990000000, 0.223221640000000 ] - [ -0.554259820000000, -1.931668190000000, -0.018894630000000 ] - [ 0.144121550000000, -0.013601320000000, -1.087673190000000 ]- # 2 (S) - [ -1.237206277453010, 0.293353327932984, -0.127974049777480 ] - [ 0.648583493893697, -2.383571492546990, -0.183868295540501 ] - [ -0.083839863511902, -0.118012263773145, -1.087673190000000 ]- # 3 (S) - [ -2.504850797079770, 0.083291410725708, -0.095247590222520 ] - [ 0.438521575307189, -1.115926972920231, 0.202762925540501 ] - [ -0.060281686488098, 0.131613583773145, -1.087673190000000 ]- # 4 (S) - [ -1.237206276938562, -0.293353327932984, 0.127974049777480 ] - [ -0.648583491883339, -2.383571493061437, -0.183868295316076 ] - [ 0.083839863718858, -0.118012263773145, -1.087673190000000 ]- # 5 (S) - [ -2.504850796933702, -0.083291410725708, 0.095247590222520 ] - [ -0.438521577742918, -1.115926973066297, 0.202762925707535 ] - [ 0.060281686257290, 0.131613583773145, -1.087673190000000 ]- # 6 (S) - [ -1.689109581594955, 0.909489990000000, -0.223221640000000 ] - [ 0.554259820425370, -1.931668188405045, -0.018894630391459 ] - [ -0.144121549976148, -0.013601320000000, -1.087673190000000 ]- # 7 (S) - [ -1.759787840000000, 0.475636270000000, -0.419705960000000 ] - [ 0.045422010000000, -1.319516890000000, 0.474244520000000 ] - [ -0.347837090000000, 0.593120810000000, -2.120481520000000 ]- # 8 (S) - [ -1.759787839165886, -0.475636270000000, 0.419705960000000 ] - [ -0.045422010772095, -1.319516890834114, 0.474244520736030 ] - [ 0.347837088959855, 0.593120810000000, -2.120481520000000 ]- # 9 (S) - [ -1.203959774490966, 0.275485473219496, -0.200854823069168 ] - [ -0.154728785001760, -1.875344955509034, -0.600598283109825 ] - [ -0.339739142677395, -0.597796161473085, -2.120481520000000 ]- # 10 (S) - [ -1.655209481260418, 0.105800354072255, -0.620560783069168 ] - [ 0.536014611147946, -1.424095248739582, 0.126353762021560 ] - [ -0.687576232685594, 0.004675351473085, -2.120481520000000 ]- # 11 (S) - [ -1.203959774007852, -0.275485473219496, 0.200854823069168 ] - [ 0.154728786179156, -1.875344955992147, -0.600598282757590 ] - [ 0.339739143725738, -0.597796161473085, -2.120481520000000 ]- # 12 (S) - [ -1.655209481074878, -0.105800354072255, 0.620560783069168 ] - [ -0.536014611553246, -1.424095248925122, 0.126353763109825 ] - [ 0.687576232677395, 0.004675351473085, -2.120481520000000 ]- # 13 (Rb) - [ 1.292732230000000, 0.108264950000000, -0.294396750000000 ] - [ 0.108264950000000, 1.167718630000000, -0.169970050000000 ] - [ 0.015581890000000, 0.008996210000000, 1.382267320000000 ]- # 14 (Rb) - [ 1.292732227039452, -0.108264952144170, 0.294396756254602 ] - [ -0.108264951274376, 1.167718632960548, -0.169970038650434 ] - [ -0.015581891393964, 0.008996207612909, 1.382267320000000 ]- # 15 (Rb) - [ 1.105211832960548, 0.000000001656250, -0.000000006254602 ] - [ 0.000000001762296, 1.355239027039452, 0.339940088650434 ] - [ 0.000000001393964, -0.017992417612909, 1.382267320000000 ]- # 16 (Ag) - [ 1.148682030000000, -0.226024050000000, -0.072208130000000 ] - [ 0.272184530000000, 1.395770730000000, -0.001273790000000 ] - [ 0.115128310000000, -0.008566630000000, 1.166762640000000 ]- # 17 (Ag) - [ 1.353986629926370, -0.153651865001946, 0.037207199446470 ] - [ 0.344556715067376, 1.190466130073630, -0.061897179813203 ] - [ -0.050145235897503, 0.103987356348519, 1.166762640000000 ]- # 18 (Ag) - [ 1.314010480728904, -0.367636956963074, 0.035000930553530 ] - [ 0.130571623895714, 1.230442279271096, 0.063170969813203 ] - [ -0.064983074102497, -0.095420726348519, 1.166762640000000 ]- # 19 (Ag) - [ 1.353986629656914, 0.153651865001946, -0.037207199446470 ] - [ -0.344556714780613, 1.190466130343086, -0.061897179878453 ] - [ 0.050145235715143, 0.103987356348519, 1.166762640000000 ]- # 20 (Ag) - [ 1.148682029603626, 0.226024050000000, 0.072208130000000 ] - [ -0.272184530433315, 1.395770730396374, -0.001273789873370 ] - [ -0.115128309984977, -0.008566630000000, 1.166762640000000 ]- # 21 (Ag) - [ 1.314010480084186, 0.367636956963074, -0.035000930553530 ] - [ -0.130571623749162, 1.230442279915814, 0.063170969751823 ] - [ 0.064983074269834, -0.095420726348519, 1.166762640000000 ]- # 22 (Sb) - [ 3.211842810000000, -0.496126020000000, -0.948453740000000 ] - [ -0.496126020000000, 2.638965820000000, 0.547590020000000 ] - [ -0.219042870000000, 0.126464460000000, 2.700516820000000 ]- # 23 (Sb) - [ 3.211842804298466, 0.496126025284704, 0.948453739851529 ] - [ 0.496126021298860, 2.638965825701533, 0.547590021920444 ] - [ 0.219042869649575, 0.126464460222822, 2.700516820000000 ]- # 24 (Sb) - [ 2.352527330701534, -0.000000001541838, 0.000000000148471 ] - [ -0.000000005041725, 3.498281299298466, -1.095180041920444 ] - [ 0.000000000350425, -0.252928920222822, 2.700516820000000 ]dielectric_constant: - [ 12.253477660000000, -0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 12.253477670000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 8.476950980000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0578271500000000, -0.0239076900000000, 0.0198828400000000 ] - [ -0.0000610700000000, -0.0002072400000000, -0.0001401000000000 ] - [ -0.0005778600000000, -0.0005359800000000, -0.0000326200000000 ] - [ 0.0006169900000000, 0.0000311300000000, -0.0004178500000000 ] - [ -0.0001997600000000, 0.0004841700000000, -0.0001046900000000 ] - [ -0.0002196500000000, 0.0004939400000000, -0.0000750100000000 ] - [ -0.0000929100000000, 0.0004213700000000, -0.0001894600000000 ] - [ -0.0002613300000000, 0.0005008300000000, -0.0000692400000000 ] - [ 0.0008184000000000, 0.0001034200000000, -0.0000936900000000 ] - [ 0.0004408700000000, -0.0000975500000000, -0.0001806400000000 ] - [ 0.0005476500000000, -0.0000516100000000, -0.0000965500000000 ] - [ 0.0005454300000000, -0.0000533400000000, -0.0001325200000000 ] - [ -0.0002259900000000, -0.0005349200000000, 0.0001536300000000 ] - [ -0.0001666800000000, -0.0004726700000000, 0.0001907800000000 ] - [ -0.0002247400000000, -0.0005055800000000, 0.0001066000000000 ] - [ -0.0001574400000000, -0.0005394900000000, 0.0000521800000000 ] - [ 0.0014410500000000, 0.0011160800000000, -0.0006643000000000 ] - [ 0.0006664200000000, 0.0000692200000000, 0.0001177300000000 ] - [ 0.0060320200000000, -0.0015329500000000, 0.0003889000000000 ] - [ 0.0043209200000000, 0.0049795200000000, -0.0008920800000000 ] - [ -0.0003122300000000, 0.0003478300000000, 0.0000775000000000 ] - [ -0.0003120600000000, 0.0005278900000000, 0.0000572000000000 ] - [ -0.0005341400000000, 0.0004129400000000, 0.0002270300000000 ] - [ -0.0002609000000000, 0.0004349400000000, 0.0000852900000000 ] - [ 0.0027341900000000, -0.0017493800000000, -0.0009800400000000 ] - [ 0.0004716800000000, 0.0006899700000000, -0.0001119000000000 ] - [ -0.0012053700000000, -0.0002432000000000, -0.0000930700000000 ] - [ 0.0020123300000000, 0.0001911800000000, 0.0003501600000000 ] - [ -0.0001401800000000, -0.0009407000000000, -0.0001186300000000 ] - [ 0.0003138700000000, -0.0002426900000000, -0.0001566600000000 ] - [ 0.0001736700000000, -0.0003496100000000, -0.0001496700000000 ] - [ 0.0004531400000000, -0.0001589800000000, 0.0001506800000000 ] - [ -0.0004207800000000, 0.0000649100000000, 0.0002233000000000 ] - [ -0.0002817600000000, 0.0000350600000000, 0.0000149600000000 ] - [ -0.0003452000000000, -0.0000272300000000, -0.0000435200000000 ] - [ -0.0003367900000000, 0.0000218400000000, -0.0000826000000000 ] - [ 0.0002395700000000, 0.0002790100000000, -0.0004023800000000 ] - [ 0.0001748000000000, 0.0002901300000000, 0.0000839800000000 ] - [ 0.0001551500000000, 0.0003100200000000, -0.0000320800000000 ] - [ 0.0001745700000000, 0.0002980200000000, -0.0000053700000000 ] - [ 0.0022856900000000, 0.0016538100000000, -0.0015756200000000 ] - [ -0.0001856700000000, -0.0003787200000000, -0.0000976400000000 ] - [ 0.0003079600000000, -0.0000278500000000, -0.0003704300000000 ] - [ -0.0016017500000000, -0.0002348000000000, 0.0007250000000000 ] - [ 0.0001153000000000, -0.0002708100000000, 0.0000008000000000 ] - [ 0.0001793700000000, -0.0002598800000000, 0.0000507400000000 ] - [ 0.0015830900000000, -0.0001286200000000, -0.0014983700000000 ] - [ 0.0001230500000000, -0.0003556500000000, 0.0001365600000000 ] - [ 0.0000394900000000, -0.0001784400000000, 0.0000016200000000 ] - [ 0.0000994300000000, -0.0001198000000000, 0.0000023500000000 ] - [ 0.0000442700000000, -0.0001349800000000, 0.0000358100000000 ] - [ 0.0001096200000000, -0.0000806100000000, -0.0000171800000000 ] - [ 0.0002541500000000, -0.0003786600000000, 0.0011088200000000 ] - [ -0.0000678100000000, 0.0001367300000000, -0.0000384600000000 ] - [ 0.0001543200000000, 0.0001539200000000, 0.0000554700000000 ] - [ 0.0000077600000000, -0.0001349100000000, -0.0003905800000000 ] - [ -0.0000406000000000, -0.0000933300000000, -0.0000988700000000 ] - [ -0.0001413400000000, -0.0000375900000000, 0.0000497900000000 ] - [ 0.0013267800000000, -0.0005550500000000, 0.0022550400000000 ] - [ -0.0004361000000000, 0.0001456000000000, 0.0004064300000000 ] - [ 0.0004795000000000, 0.0001101000000000, -0.0003202800000000 ] - [ 0.0004051600000000, -0.0000186700000000, -0.0000862600000000 ] - [ 0.0005006600000000, 0.0000746500000000, -0.0002974000000000 ] - [ 0.0003566400000000, 0.0000854100000000, -0.0000935200000000 ] - [ 0.0073563700000000, -0.0090914100000000, -0.0083455400000000 ] - [ -0.0004363500000000, 0.0003584500000000, -0.0001273000000000 ] - [ -0.0002070200000000, 0.0009167500000000, -0.0003930600000000 ] - [ -0.0012000400000000, -0.0006647900000000, 0.0006112300000000 ] - [ -0.0001441400000000, -0.0004400900000000, -0.0001754700000000 ] - [ -0.0001749300000000, -0.0004150400000000, -0.0001741400000000 ] - [ -0.0002076300000000, -0.0003591600000000, -0.0001514800000000 ] - [ -0.0001687900000000, -0.0004146500000000, -0.0001813500000000 ] - [ -0.0003029300000000, -0.0004670500000000, 0.0001829100000000 ] - [ -0.0003469600000000, -0.0003805600000000, 0.0004805900000000 ] - [ -0.0003171900000000, -0.0003650600000000, 0.0001490400000000 ] - [ -0.0000882700000000, -0.0003730500000000, 0.0002092200000000 ] - [ 0.0004825900000000, -0.0000543200000000, 0.0002096000000000 ] - [ 0.0004189800000000, -0.0000697700000000, 0.0001679200000000 ] - [ 0.0004542200000000, -0.0000184200000000, 0.0001966800000000 ] - [ 0.0004106700000000, -0.0001012600000000, 0.0001953400000000 ] - [ 0.0122160800000000, 0.0019209500000000, -0.0076820500000000 ] - [ -0.0006433100000000, 0.0004522600000000, 0.0000646600000000 ] - [ 0.0001839100000000, 0.0002785000000000, 0.0004064700000000 ] - [ -0.0002914700000000, 0.0004970800000000, 0.0000812700000000 ] - [ -0.0000176100000000, -0.0007254600000000, -0.0001688000000000 ] - [ -0.0007729800000000, -0.0008992600000000, 0.0001433800000000 ] - [ -0.0004705600000000, -0.0008000100000000, 0.0000245600000000 ] - [ -0.0006528500000000, -0.0009752000000000, 0.0001248400000000 ] - [ -0.0020285100000000, 0.0009237600000000, 0.0002321100000000 ] - [ -0.0005386700000000, 0.0013245600000000, -0.0003392600000000 ] - [ -0.0026261400000000, -0.0007860700000000, 0.0002517100000000 ] - [ 0.0225506000000000, 0.0319378000000000, -0.0024552600000000 ] - [ 0.0009943800000000, -0.0000116600000000, 0.0000217700000000 ] - [ 0.0010228900000000, 0.0000682700000000, -0.0000188400000000 ] - [ 0.0003645600000000, -0.0002846000000000, -0.0002071400000000 ] - [ 0.0011133900000000, 0.0000940300000000, -0.0001755400000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0580213500000000, 0.0226531000000000, -0.0202840100000000 ] - [ -0.0005504900000000, -0.0006713100000000, -0.0000922400000000 ] - [ -0.0000395300000000, -0.0003425800000000, -0.0002024100000000 ] - [ -0.0012312100000000, -0.0009006400000000, 0.0001846300000000 ] - [ -0.0002514500000000, 0.0004918400000000, -0.0001300500000000 ] - [ -0.0002295100000000, 0.0004792200000000, -0.0001595100000000 ] - [ -0.0003574000000000, 0.0005522500000000, -0.0000455100000000 ] - [ -0.0001898600000000, 0.0004713500000000, -0.0001635400000000 ] - [ 0.0002519400000000, -0.0002013900000000, -0.0001418400000000 ] - [ 0.0006285800000000, -0.0000010100000000, -0.0000544200000000 ] - [ 0.0005234200000000, -0.0000451400000000, -0.0001394700000000 ] - [ 0.0005246700000000, -0.0000434700000000, -0.0001043900000000 ] - [ -0.0002241900000000, -0.0004390100000000, 0.0000816000000000 ] - [ -0.0002834500000000, -0.0005008300000000, 0.0000415300000000 ] - [ -0.0002240200000000, -0.0004659000000000, 0.0001287500000000 ] - [ -0.0002915600000000, -0.0004315100000000, 0.0001839300000000 ] - [ -0.0003638500000000, -0.0010141200000000, 0.0008970400000000 ] - [ 0.0004044600000000, 0.0000271300000000, 0.0001156800000000 ] - [ -0.0050007200000000, 0.0016644500000000, -0.0001704100000000 ] - [ -0.0031119500000000, -0.0047658000000000, 0.0011017900000000 ] - [ -0.0003080800000000, 0.0005315200000000, 0.0001587400000000 ] - [ -0.0003079000000000, 0.0003525700000000, 0.0001782800000000 ] - [ -0.0000853700000000, 0.0004633800000000, 0.0000098300000000 ] - [ -0.0003585600000000, 0.0004424000000000, 0.0001500100000000 ] - [ -0.0023330800000000, 0.0023229100000000, 0.0010204600000000 ] - [ -0.0001049600000000, -0.0001073300000000, 0.0001581500000000 ] - [ 0.0015654200000000, 0.0008438000000000, 0.0001215400000000 ] - [ -0.0016489100000000, 0.0003958200000000, -0.0003187600000000 ] - [ 0.0005073500000000, 0.0003593400000000, 0.0000878700000000 ] - [ 0.0000537200000000, -0.0003395400000000, 0.0001140600000000 ] - [ 0.0001921000000000, -0.0002311700000000, 0.0001058400000000 ] - [ -0.0000833300000000, -0.0004195900000000, -0.0001937200000000 ] - [ -0.0002675900000000, -0.0000379600000000, -0.0001785400000000 ] - [ -0.0004062800000000, -0.0000074100000000, 0.0000271600000000 ] - [ -0.0003429700000000, 0.0000546700000000, 0.0000858000000000 ] - [ -0.0003512400000000, 0.0000061800000000, 0.0001231200000000 ] - [ 0.0000799400000000, 0.0003302300000000, 0.0003636700000000 ] - [ 0.0001437400000000, 0.0003196000000000, -0.0001251100000000 ] - [ 0.0001628700000000, 0.0003010400000000, -0.0000104000000000 ] - [ 0.0001441600000000, 0.0003125000000000, -0.0000385700000000 ] - [ -0.0029924300000000, -0.0016834100000000, 0.0015667900000000 ] - [ -0.0005023600000000, 0.0003498500000000, 0.0000503300000000 ] - [ -0.0009964800000000, -0.0000001400000000, 0.0003322100000000 ] - [ 0.0009077500000000, 0.0002209000000000, -0.0007587200000000 ] - [ 0.0002030400000000, -0.0003384700000000, 0.0000455900000000 ] - [ 0.0001432400000000, -0.0003499000000000, -0.0000124700000000 ] - [ -0.0012735900000000, -0.0004824600000000, 0.0015552400000000 ] - [ 0.0001949800000000, -0.0002554100000000, -0.0000884700000000 ] - [ 0.0001066900000000, -0.0000750800000000, 0.0000001400000000 ] - [ 0.0000470300000000, -0.0001338400000000, -0.0000013600000000 ] - [ 0.0001016700000000, -0.0001186800000000, -0.0000347400000000 ] - [ 0.0000369200000000, -0.0001731300000000, 0.0000185000000000 ] - [ -0.0001185600000000, 0.0006469500000000, -0.0011309400000000 ] - [ 0.0002086400000000, 0.0001171300000000, 0.0000388400000000 ] - [ -0.0000076500000000, 0.0001054800000000, -0.0000556800000000 ] - [ 0.0001394000000000, 0.0003846000000000, 0.0003848800000000 ] - [ -0.0002522500000000, 0.0000890200000000, 0.0000974300000000 ] - [ -0.0001524600000000, 0.0000355700000000, -0.0000509600000000 ] - [ -0.0016382000000000, 0.0005679700000000, -0.0023152800000000 ] - [ 0.0001412900000000, -0.0001418100000000, -0.0004029100000000 ] - [ 0.0003996700000000, 0.0000006200000000, -0.0000442400000000 ] - [ 0.0004721300000000, 0.0001273600000000, -0.0002746000000000 ] - [ 0.0003824200000000, 0.0000401900000000, -0.0000679200000000 ] - [ 0.0005222400000000, 0.0000248300000000, -0.0002725000000000 ] - [ -0.0079038400000000, 0.0095360900000000, 0.0077735100000000 ] - [ -0.0000993600000000, 0.0003544600000000, -0.0002324400000000 ] - [ -0.0003213700000000, -0.0002054600000000, 0.0000336100000000 ] - [ 0.0006600600000000, 0.0013546400000000, -0.0009541000000000 ] - [ -0.0002006600000000, -0.0003804500000000, -0.0001851500000000 ] - [ -0.0001697000000000, -0.0004051700000000, -0.0001859800000000 ] - [ -0.0001362000000000, -0.0004609800000000, -0.0002089500000000 ] - [ -0.0001750400000000, -0.0004050900000000, -0.0001792200000000 ] - [ -0.0002369100000000, -0.0002417100000000, 0.0001773200000000 ] - [ -0.0001907600000000, -0.0003274000000000, -0.0001189900000000 ] - [ -0.0002214900000000, -0.0003427400000000, 0.0002144100000000 ] - [ -0.0004499000000000, -0.0003338100000000, 0.0001552600000000 ] - [ 0.0004013800000000, -0.0000524600000000, 0.0001501500000000 ] - [ 0.0004638400000000, -0.0000383500000000, 0.0001918400000000 ] - [ 0.0004297100000000, -0.0000898900000000, 0.0001628400000000 ] - [ 0.0004736300000000, -0.0000069200000000, 0.0001644500000000 ] - [ -0.0133564300000000, -0.0011338500000000, 0.0085590100000000 ] - [ 0.0002950700000000, 0.0003724500000000, 0.0002963000000000 ] - [ -0.0005282500000000, 0.0005371000000000, -0.0000450800000000 ] - [ -0.0000517300000000, 0.0003167800000000, 0.0002851500000000 ] - [ -0.0009644100000000, -0.0009747300000000, 0.0001618800000000 ] - [ -0.0002131400000000, -0.0008078300000000, -0.0001429500000000 ] - [ -0.0005137000000000, -0.0009088200000000, -0.0000215800000000 ] - [ -0.0003350500000000, -0.0007365500000000, -0.0001213700000000 ] - [ 0.0010527400000000, 0.0007663000000000, -0.0002670200000000 ] - [ -0.0004471100000000, 0.0003815100000000, 0.0003378400000000 ] - [ 0.0016144900000000, 0.0025144200000000, -0.0002603600000000 ] - [ -0.0235978500000000, -0.0297757300000000, 0.0023997100000000 ] - [ 0.0009796400000000, 0.0000047600000000, -0.0000245900000000 ] - [ 0.0009457600000000, -0.0000700800000000, 0.0000234600000000 ] - [ 0.0016050200000000, 0.0002861000000000, 0.0002239700000000 ] - [ 0.0008621900000000, -0.0000942600000000, 0.0001713600000000 ]- atom: 1 displacement: [ -0.0049999999981634, 0.0086602540389047, 0.0000000000000000 ] forces: - [ 0.0078648400000000, -0.0884128000000000, -0.0135571200000000 ] - [ -0.0002275900000000, -0.0005533900000000, -0.0000857800000000 ] - [ -0.0002616900000000, -0.0003817700000000, -0.0001687400000000 ] - [ -0.0003603900000000, 0.0000014600000000, 0.0000567600000000 ] - [ -0.0001427900000000, 0.0007545800000000, -0.0003576800000000 ] - [ -0.0003338800000000, 0.0005538500000000, -0.0001161500000000 ] - [ -0.0002041500000000, 0.0004757600000000, -0.0001351400000000 ] - [ -0.0001554400000000, 0.0003430900000000, -0.0000795900000000 ] - [ 0.0004283500000000, -0.0000812700000000, -0.0001508600000000 ] - [ 0.0005020700000000, -0.0001095300000000, -0.0000317900000000 ] - [ 0.0006397900000000, 0.0000171700000000, -0.0001809600000000 ] - [ 0.0003805100000000, 0.0000169800000000, -0.0003866300000000 ] - [ -0.0004180000000000, -0.0005999100000000, 0.0000136800000000 ] - [ -0.0001938500000000, -0.0004696100000000, 0.0000617600000000 ] - [ -0.0001948900000000, -0.0004007200000000, 0.0001656000000000 ] - [ -0.0002058300000000, -0.0003983900000000, 0.0001474700000000 ] - [ 0.0011178700000000, 0.0044920800000000, -0.0004424700000000 ] - [ 0.0006117900000000, 0.0000585900000000, 0.0003481000000000 ] - [ -0.0035147800000000, 0.0018469200000000, -0.0007296100000000 ] - [ 0.0004970700000000, -0.0026360600000000, 0.0006258000000000 ] - [ -0.0003859300000000, 0.0006451800000000, 0.0001680300000000 ] - [ -0.0002292500000000, 0.0005550700000000, 0.0001196800000000 ] - [ -0.0001753900000000, 0.0002419400000000, 0.0001222100000000 ] - [ -0.0003311100000000, 0.0003992500000000, 0.0001296000000000 ] - [ -0.0009531500000000, 0.0023018800000000, 0.0015029500000000 ] - [ 0.0005176200000000, 0.0006764600000000, 0.0002113700000000 ] - [ 0.0011275700000000, 0.0042471000000000, -0.0016990200000000 ] - [ -0.0002923900000000, 0.0003088500000000, 0.0000607100000000 ] - [ 0.0003421600000000, 0.0005079200000000, 0.0027914200000000 ] - [ 0.0001329100000000, -0.0003126600000000, 0.0001294600000000 ] - [ 0.0001534400000000, -0.0002408300000000, -0.0000126900000000 ] - [ 0.0002731700000000, -0.0001961100000000, -0.0004143200000000 ] - [ -0.0003585300000000, -0.0001026600000000, 0.0003467500000000 ] - [ -0.0003371600000000, 0.0000356100000000, 0.0000563300000000 ] - [ -0.0004162800000000, 0.0000120500000000, -0.0000080600000000 ] - [ -0.0003263900000000, 0.0000388800000000, -0.0000150400000000 ] - [ 0.0001726900000000, 0.0002491700000000, 0.0001459700000000 ] - [ 0.0001274900000000, 0.0002517000000000, -0.0000518800000000 ] - [ 0.0001039200000000, 0.0003559500000000, -0.0000769900000000 ] - [ 0.0001384200000000, 0.0003067000000000, 0.0000613800000000 ] - [ 0.0002824900000000, 0.0019693000000000, -0.0003470500000000 ] - [ -0.0008625100000000, 0.0004052300000000, 0.0000965300000000 ] - [ -0.0005706200000000, 0.0001224400000000, 0.0000696500000000 ] - [ 0.0006352700000000, 0.0018282600000000, 0.0000277900000000 ] - [ 0.0001053400000000, -0.0001360700000000, -0.0000513300000000 ] - [ 0.0004559700000000, 0.0001894800000000, 0.0005349900000000 ] - [ -0.0005618900000000, -0.0002855000000000, 0.0015972000000000 ] - [ 0.0001847100000000, -0.0003549200000000, 0.0000192700000000 ] - [ 0.0000191300000000, -0.0001248700000000, 0.0000209400000000 ] - [ 0.0001163400000000, -0.0001534500000000, 0.0000010500000000 ] - [ 0.0000831600000000, -0.0001211400000000, 0.0000134700000000 ] - [ 0.0000660600000000, -0.0000973400000000, 0.0000441800000000 ] - [ -0.0003880100000000, 0.0019068700000000, -0.0027155500000000 ] - [ -0.0000187300000000, 0.0000740500000000, 0.0000577700000000 ] - [ 0.0002881100000000, 0.0002005600000000, -0.0001067900000000 ] - [ -0.0001332800000000, 0.0002191200000000, 0.0000529900000000 ] - [ -0.0001392500000000, -0.0000435800000000, 0.0000651400000000 ] - [ -0.0003724700000000, -0.0004408800000000, 0.0000411800000000 ] - [ -0.0015843900000000, 0.0012611800000000, -0.0025371900000000 ] - [ 0.0000328400000000, 0.0000913500000000, -0.0001328700000000 ] - [ 0.0004756700000000, -0.0000098100000000, -0.0000547400000000 ] - [ 0.0001670800000000, -0.0002035200000000, 0.0002088100000000 ] - [ 0.0005574700000000, 0.0001259600000000, -0.0004994400000000 ] - [ 0.0004522500000000, 0.0000323000000000, -0.0002079100000000 ] - [ -0.0133104900000000, 0.0143773100000000, 0.0112216500000000 ] - [ -0.0003852600000000, 0.0003288400000000, -0.0002030200000000 ] - [ 0.0000881300000000, -0.0001508200000000, -0.0001008000000000 ] - [ -0.0002099000000000, 0.0007495200000000, -0.0004338800000000 ] - [ -0.0002072800000000, -0.0004598800000000, -0.0001746600000000 ] - [ -0.0002799300000000, -0.0004736200000000, -0.0001969500000000 ] - [ -0.0001221900000000, -0.0004026700000000, -0.0001671400000000 ] - [ -0.0001404100000000, -0.0003764300000000, -0.0001614800000000 ] - [ -0.0004816000000000, -0.0003768000000000, 0.0000960900000000 ] - [ -0.0001325900000000, -0.0003400700000000, -0.0001037700000000 ] - [ -0.0002346100000000, -0.0003238600000000, 0.0002045800000000 ] - [ -0.0003892100000000, -0.0004494200000000, 0.0005334800000000 ] - [ 0.0003998700000000, 0.0000233000000000, 0.0001776700000000 ] - [ 0.0004441800000000, -0.0000655400000000, 0.0001937200000000 ] - [ 0.0004849500000000, -0.0000492200000000, 0.0001924300000000 ] - [ 0.0004202800000000, -0.0000510800000000, 0.0001804900000000 ] - [ -0.0098313500000000, -0.0003635300000000, 0.0074626100000000 ] - [ -0.0000879600000000, 0.0004430700000000, 0.0002289300000000 ] - [ 0.0000552400000000, 0.0002893500000000, 0.0002702000000000 ] - [ -0.0004038000000000, 0.0001614700000000, -0.0001477400000000 ] - [ -0.0003964400000000, 0.0002144000000000, -0.0007103300000000 ] - [ -0.0004744000000000, -0.0008094700000000, -0.0001379700000000 ] - [ -0.0000810900000000, -0.0010019700000000, 0.0001695400000000 ] - [ -0.0005153800000000, -0.0011037500000000, 0.0003638700000000 ] - [ -0.0002420900000000, -0.0006220000000000, -0.0008398900000000 ] - [ -0.0000908200000000, 0.0003219900000000, -0.0001004500000000 ] - [ 0.0004415100000000, 0.0017004500000000, -0.0005654900000000 ] - [ 0.0166879600000000, 0.0574747600000000, -0.0023162600000000 ] - [ 0.0010491600000000, -0.0003150000000000, 0.0001422400000000 ] - [ 0.0013083400000000, 0.0000255800000000, -0.0001820600000000 ] - [ 0.0012011700000000, 0.0000358600000000, 0.0002427200000000 ] - [ 0.0010324800000000, 0.0003357500000000, 0.0000990700000000 ]- atom: 1 displacement: [ 0.0049999999981634, -0.0086602540389047, 0.0000000000000000 ] forces: - [ -0.0097293600000000, 0.0871336900000000, 0.0139524500000000 ] - [ -0.0003849500000000, -0.0003218000000000, -0.0001478600000000 ] - [ -0.0003630200000000, -0.0004947600000000, -0.0000705700000000 ] - [ -0.0002431500000000, -0.0008667600000000, -0.0002926500000000 ] - [ -0.0003072900000000, 0.0002177600000000, 0.0001252200000000 ] - [ -0.0001176400000000, 0.0004215000000000, -0.0001172300000000 ] - [ -0.0002458200000000, 0.0004977100000000, -0.0001001000000000 ] - [ -0.0002920000000000, 0.0006268500000000, -0.0001520900000000 ] - [ 0.0006446000000000, -0.0000160600000000, -0.0000830900000000 ] - [ 0.0005671000000000, 0.0000106700000000, -0.0002016800000000 ] - [ 0.0004334300000000, -0.0001133300000000, -0.0000541400000000 ] - [ 0.0006866700000000, -0.0001116000000000, 0.0001449200000000 ] - [ -0.0000300900000000, -0.0003737800000000, 0.0002206600000000 ] - [ -0.0002551100000000, -0.0005040300000000, 0.0001726100000000 ] - [ -0.0002561400000000, -0.0005708100000000, 0.0000740900000000 ] - [ -0.0002422400000000, -0.0005741400000000, 0.0000870500000000 ] - [ -0.0000196500000000, -0.0044179100000000, 0.0006792800000000 ] - [ 0.0004527100000000, 0.0000413400000000, -0.0001185800000000 ] - [ 0.0045749400000000, -0.0017353100000000, 0.0009510800000000 ] - [ 0.0006291000000000, 0.0027419900000000, -0.0004039100000000 ] - [ -0.0002361300000000, 0.0002345600000000, 0.0000690500000000 ] - [ -0.0003903600000000, 0.0003239100000000, 0.0001154900000000 ] - [ -0.0004434200000000, 0.0006313900000000, 0.0001169100000000 ] - [ -0.0002887200000000, 0.0004786100000000, 0.0001070100000000 ] - [ 0.0013599100000000, -0.0017374000000000, -0.0015065000000000 ] - [ -0.0001451300000000, -0.0000961300000000, -0.0001656100000000 ] - [ -0.0007392400000000, -0.0035647300000000, 0.0016661700000000 ] - [ 0.0006625700000000, 0.0002752100000000, -0.0000186100000000 ] - [ 0.0000148100000000, -0.0010999500000000, -0.0028587900000000 ] - [ 0.0002352000000000, -0.0002694600000000, -0.0001699800000000 ] - [ 0.0002107200000000, -0.0003414100000000, -0.0000290100000000 ] - [ 0.0000981900000000, -0.0003827900000000, 0.0003685600000000 ] - [ -0.0003299200000000, 0.0001299300000000, -0.0003026600000000 ] - [ -0.0003501600000000, -0.0000068500000000, -0.0000122500000000 ] - [ -0.0002731500000000, 0.0000151700000000, 0.0000509700000000 ] - [ -0.0003610400000000, -0.0000102600000000, 0.0000570000000000 ] - [ 0.0001468200000000, 0.0003603300000000, -0.0001886400000000 ] - [ 0.0001927100000000, 0.0003575700000000, 0.0000108600000000 ] - [ 0.0002144800000000, 0.0002543100000000, 0.0000326600000000 ] - [ 0.0001809100000000, 0.0003036700000000, -0.0001019300000000 ] - [ -0.0009548400000000, -0.0019953000000000, 0.0002924600000000 ] - [ 0.0001767100000000, -0.0004377800000000, -0.0001470700000000 ] - [ -0.0001180600000000, -0.0001464900000000, -0.0001156400000000 ] - [ -0.0012866600000000, -0.0017295100000000, -0.0000303400000000 ] - [ 0.0002141300000000, -0.0004727100000000, 0.0000937700000000 ] - [ -0.0001322800000000, -0.0007904000000000, -0.0004838300000000 ] - [ 0.0008856400000000, -0.0003235900000000, -0.0015458300000000 ] - [ 0.0001354600000000, -0.0002568300000000, 0.0000261700000000 ] - [ 0.0001265600000000, -0.0001297100000000, -0.0000207400000000 ] - [ 0.0000303700000000, -0.0001005900000000, -0.0000010600000000 ] - [ 0.0000628600000000, -0.0001327500000000, -0.0000127300000000 ] - [ 0.0000803200000000, -0.0001554500000000, -0.0000440200000000 ] - [ 0.0005368300000000, -0.0016887500000000, 0.0027989500000000 ] - [ 0.0001626400000000, 0.0001781600000000, -0.0000563100000000 ] - [ -0.0001322300000000, 0.0000544200000000, 0.0001067600000000 ] - [ 0.0002711800000000, 0.0000320000000000, -0.0000552300000000 ] - [ -0.0001499300000000, 0.0000311700000000, -0.0000756700000000 ] - [ 0.0000752000000000, 0.0004332900000000, -0.0000431000000000 ] - [ 0.0012863800000000, -0.0012619600000000, 0.0025084000000000 ] - [ -0.0003260700000000, -0.0000873200000000, 0.0001334800000000 ] - [ 0.0004044000000000, 0.0001208600000000, -0.0003088500000000 ] - [ 0.0007091600000000, 0.0003112700000000, -0.0005691400000000 ] - [ 0.0003255000000000, -0.0000097000000000, 0.0001218200000000 ] - [ 0.0004262800000000, 0.0000778000000000, -0.0001541000000000 ] - [ 0.0133125200000000, -0.0145290600000000, -0.0123062900000000 ] - [ -0.0001518400000000, 0.0003828800000000, -0.0001568800000000 ] - [ -0.0006072300000000, 0.0008557700000000, -0.0002614400000000 ] - [ -0.0003291100000000, -0.0000446100000000, 0.0000783900000000 ] - [ -0.0001376200000000, -0.0003606000000000, -0.0001865800000000 ] - [ -0.0000661800000000, -0.0003481000000000, -0.0001642600000000 ] - [ -0.0002217300000000, -0.0004167300000000, -0.0001937200000000 ] - [ -0.0002035600000000, -0.0004431500000000, -0.0001997500000000 ] - [ -0.0000591300000000, -0.0003335100000000, 0.0002632900000000 ] - [ -0.0004049000000000, -0.0003688500000000, 0.0004634100000000 ] - [ -0.0003029900000000, -0.0003840500000000, 0.0001557000000000 ] - [ -0.0001540400000000, -0.0002564000000000, -0.0001589400000000 ] - [ 0.0004837500000000, -0.0001317600000000, 0.0001816400000000 ] - [ 0.0004392100000000, -0.0000429700000000, 0.0001653800000000 ] - [ 0.0004008400000000, -0.0000577100000000, 0.0001667300000000 ] - [ 0.0004625500000000, -0.0000580100000000, 0.0001784000000000 ] - [ 0.0092629600000000, 0.0011079700000000, -0.0069414200000000 ] - [ -0.0002622700000000, 0.0003775200000000, 0.0001345900000000 ] - [ -0.0003885200000000, 0.0005219100000000, 0.0001010700000000 ] - [ 0.0000506900000000, 0.0006432800000000, 0.0005229200000000 ] - [ -0.0005843400000000, -0.0019149100000000, 0.0006940800000000 ] - [ -0.0005143700000000, -0.0008990500000000, 0.0001352300000000 ] - [ -0.0008965900000000, -0.0007079300000000, -0.0001685000000000 ] - [ -0.0004731100000000, -0.0006093300000000, -0.0003592400000000 ] - [ -0.0008044900000000, 0.0023500500000000, 0.0008338700000000 ] - [ -0.0008858800000000, 0.0013780200000000, 0.0001254200000000 ] - [ -0.0014421800000000, 0.0000031200000000, 0.0005597300000000 ] - [ -0.0168822700000000, -0.0545881200000000, 0.0023183500000000 ] - [ 0.0009190700000000, 0.0003127200000000, -0.0001405200000000 ] - [ 0.0006651700000000, -0.0000315800000000, 0.0001761000000000 ] - [ 0.0007676200000000, -0.0000411400000000, -0.0002415400000000 ] - [ 0.0009372400000000, -0.0003327000000000, -0.0000995500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0198513500000000, -0.0043559800000000, -0.0330554300000000 ] - [ -0.0003331300000000, -0.0004167400000000, -0.0001033100000000 ] - [ -0.0002244200000000, -0.0004447300000000, -0.0001782800000000 ] - [ -0.0006118500000000, -0.0004098000000000, -0.0001686100000000 ] - [ -0.0002588800000000, 0.0004791100000000, 0.0000412700000000 ] - [ -0.0002885800000000, 0.0004985300000000, -0.0000644600000000 ] - [ -0.0004927800000000, 0.0006576300000000, 0.0001236400000000 ] - [ -0.0001393600000000, 0.0005105900000000, -0.0000435300000000 ] - [ 0.0007630200000000, 0.0000974000000000, 0.0000403100000000 ] - [ 0.0004516600000000, -0.0000426600000000, -0.0000442400000000 ] - [ 0.0004923900000000, -0.0000246700000000, -0.0000647300000000 ] - [ 0.0006256600000000, -0.0000809000000000, 0.0001224800000000 ] - [ -0.0001212800000000, -0.0004690000000000, 0.0002619900000000 ] - [ -0.0002711300000000, -0.0005009100000000, 0.0001756000000000 ] - [ -0.0001689700000000, -0.0005413000000000, 0.0001754000000000 ] - [ -0.0002549000000000, -0.0004275900000000, 0.0001870600000000 ] - [ -0.0000287700000000, 0.0006812200000000, 0.0002021600000000 ] - [ 0.0007685100000000, -0.0000848700000000, 0.0000457100000000 ] - [ -0.0008019300000000, -0.0000839800000000, 0.0002026300000000 ] - [ 0.0000527300000000, -0.0008235000000000, -0.0010375700000000 ] - [ -0.0002493200000000, 0.0004068900000000, 0.0002173700000000 ] - [ -0.0002689500000000, 0.0004729700000000, 0.0002176100000000 ] - [ -0.0004169900000000, 0.0005037900000000, 0.0004821800000000 ] - [ -0.0002778000000000, 0.0004333300000000, 0.0001447900000000 ] - [ -0.0002053100000000, 0.0014378600000000, 0.0001606700000000 ] - [ 0.0000696300000000, 0.0004847000000000, -0.0002181900000000 ] - [ -0.0005112000000000, -0.0047406600000000, 0.0004520500000000 ] - [ -0.0000624400000000, 0.0004148000000000, -0.0001717000000000 ] - [ 0.0006654900000000, 0.0008125000000000, 0.0028652100000000 ] - [ 0.0001651600000000, -0.0002982500000000, 0.0000194600000000 ] - [ 0.0002686300000000, -0.0004717900000000, 0.0002013800000000 ] - [ 0.0000854700000000, -0.0003293000000000, 0.0001114900000000 ] - [ -0.0003307000000000, 0.0000898700000000, 0.0004695300000000 ] - [ -0.0002581300000000, 0.0000693900000000, 0.0001501400000000 ] - [ -0.0002578400000000, 0.0001125100000000, 0.0002484600000000 ] - [ -0.0003329700000000, 0.0000667700000000, 0.0001602900000000 ] - [ 0.0002193200000000, 0.0002336100000000, 0.0006917600000000 ] - [ 0.0002372000000000, 0.0003096100000000, 0.0000523100000000 ] - [ 0.0002057100000000, 0.0003284600000000, 0.0001010800000000 ] - [ 0.0002030300000000, 0.0002828800000000, 0.0002091600000000 ] - [ -0.0016030900000000, -0.0004798300000000, 0.0002383000000000 ] - [ -0.0002190700000000, -0.0001904100000000, -0.0002063700000000 ] - [ -0.0003215900000000, -0.0001248900000000, -0.0000876300000000 ] - [ 0.0005069800000000, 0.0025999000000000, -0.0015442200000000 ] - [ 0.0002112400000000, -0.0004509100000000, 0.0001334900000000 ] - [ 0.0002951800000000, 0.0000069000000000, 0.0004967800000000 ] - [ -0.0012393400000000, -0.0003558800000000, 0.0027058100000000 ] - [ 0.0002181700000000, -0.0002973600000000, -0.0000434600000000 ] - [ 0.0000682500000000, -0.0000932100000000, -0.0001420000000000 ] - [ 0.0000889800000000, -0.0001234100000000, -0.0001241300000000 ] - [ 0.0000860100000000, -0.0001385200000000, -0.0001296300000000 ] - [ 0.0000516700000000, -0.0001499000000000, -0.0001739400000000 ] - [ 0.0009756000000000, -0.0030747600000000, 0.0047037500000000 ] - [ 0.0001114200000000, 0.0000706800000000, 0.0000545900000000 ] - [ 0.0002637400000000, 0.0001054200000000, 0.0000735200000000 ] - [ -0.0001343900000000, 0.0001833500000000, 0.0000845900000000 ] - [ -0.0001992800000000, 0.0001044000000000, 0.0001898900000000 ] - [ 0.0000584100000000, 0.0003289000000000, 0.0000295200000000 ] - [ 0.0017118700000000, -0.0012430100000000, 0.0037224100000000 ] - [ 0.0000359600000000, -0.0000396400000000, -0.0000336400000000 ] - [ 0.0004140000000000, 0.0000552800000000, -0.0001721200000000 ] - [ 0.0003603200000000, -0.0000209500000000, -0.0000624300000000 ] - [ 0.0003023700000000, -0.0001186000000000, -0.0005452700000000 ] - [ 0.0004667000000000, -0.0000297700000000, -0.0001782000000000 ] - [ -0.0098216900000000, 0.0101150200000000, 0.0076651300000000 ] - [ -0.0003511500000000, 0.0003124500000000, -0.0001429600000000 ] - [ -0.0008256700000000, 0.0005249600000000, 0.0000486900000000 ] - [ -0.0002296600000000, 0.0004318400000000, -0.0001973000000000 ] - [ -0.0001815800000000, -0.0004286800000000, -0.0002687400000000 ] - [ -0.0001258900000000, -0.0003693200000000, -0.0003006600000000 ] - [ -0.0002291200000000, -0.0004190500000000, -0.0004407700000000 ] - [ -0.0001479700000000, -0.0004029700000000, -0.0002557800000000 ] - [ -0.0005030700000000, -0.0004071900000000, 0.0001902500000000 ] - [ -0.0002303600000000, -0.0003403200000000, 0.0001969400000000 ] - [ -0.0003677400000000, -0.0003935000000000, 0.0002264400000000 ] - [ -0.0000762500000000, -0.0002871700000000, -0.0003112400000000 ] - [ 0.0003947700000000, 0.0000080900000000, -0.0000007800000000 ] - [ 0.0004746400000000, -0.0000389700000000, 0.0001124100000000 ] - [ 0.0004642700000000, -0.0000997900000000, 0.0000666300000000 ] - [ 0.0004368200000000, -0.0000695400000000, 0.0000899000000000 ] - [ -0.0070974900000000, 0.0008050300000000, 0.0030470900000000 ] - [ -0.0002140400000000, 0.0003386800000000, 0.0002277100000000 ] - [ -0.0003229700000000, 0.0004879400000000, 0.0002031600000000 ] - [ -0.0004520600000000, 0.0001014800000000, 0.0002216800000000 ] - [ -0.0000698900000000, -0.0006080800000000, -0.0007396500000000 ] - [ -0.0007419900000000, -0.0009573500000000, -0.0000383100000000 ] - [ -0.0006818000000000, -0.0008696300000000, -0.0004185700000000 ] - [ -0.0004727600000000, -0.0008830000000000, -0.0002841500000000 ] - [ 0.0002366500000000, 0.0003717000000000, 0.0002332800000000 ] - [ -0.0004480700000000, 0.0012309400000000, 0.0003021700000000 ] - [ -0.0005742200000000, 0.0013312800000000, -0.0002084500000000 ] - [ -0.0028368500000000, -0.0013828800000000, 0.0096221100000000 ] - [ 0.0008834000000000, 0.0000802600000000, -0.0002266900000000 ] - [ 0.0010881200000000, 0.0000648400000000, -0.0003593300000000 ] - [ 0.0018620200000000, 0.0004255200000000, -0.0005837300000000 ] - [ 0.0006941400000000, -0.0000341800000000, -0.0000492300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0203045500000000, 0.0042108400000000, 0.0328121500000000 ] - [ -0.0002850500000000, -0.0004605900000000, -0.0001314200000000 ] - [ -0.0003941900000000, -0.0004290700000000, -0.0000559600000000 ] - [ -0.0000094700000000, -0.0004653900000000, -0.0000645300000000 ] - [ -0.0001910700000000, 0.0004955200000000, -0.0002747100000000 ] - [ -0.0001616800000000, 0.0004748200000000, -0.0001690600000000 ] - [ 0.0000388800000000, 0.0003181200000000, -0.0003543300000000 ] - [ -0.0003092200000000, 0.0004628800000000, -0.0001891500000000 ] - [ 0.0003054500000000, -0.0001960700000000, -0.0002757100000000 ] - [ 0.0006184300000000, -0.0000552800000000, -0.0001898700000000 ] - [ 0.0005779500000000, -0.0000728800000000, -0.0001693600000000 ] - [ 0.0004465800000000, -0.0000180700000000, -0.0003554900000000 ] - [ -0.0003281900000000, -0.0005052600000000, -0.0000263500000000 ] - [ -0.0001795700000000, -0.0004735700000000, 0.0000602800000000 ] - [ -0.0002798000000000, -0.0004329300000000, 0.0000601000000000 ] - [ -0.0001944600000000, -0.0005447400000000, 0.0000484900000000 ] - [ 0.0010925700000000, -0.0006122800000000, 0.0000329300000000 ] - [ 0.0002997500000000, 0.0001833200000000, 0.0001864800000000 ] - [ 0.0018810100000000, 0.0001699900000000, 0.0000331500000000 ] - [ 0.0010168100000000, 0.0009220600000000, 0.0012752300000000 ] - [ -0.0003703400000000, 0.0004719100000000, 0.0000195100000000 ] - [ -0.0003501400000000, 0.0004055900000000, 0.0000197300000000 ] - [ -0.0001997700000000, 0.0003721600000000, -0.0002454400000000 ] - [ -0.0003424700000000, 0.0004445400000000, 0.0000919500000000 ] - [ 0.0005759700000000, -0.0008642500000000, -0.0001128200000000 ] - [ 0.0003005800000000, 0.0000983000000000, 0.0002613900000000 ] - [ 0.0008717400000000, 0.0053503200000000, -0.0004149600000000 ] - [ 0.0004283900000000, 0.0001671700000000, 0.0002135600000000 ] - [ -0.0003025100000000, -0.0014061400000000, -0.0029045800000000 ] - [ 0.0002021800000000, -0.0002840900000000, -0.0000601700000000 ] - [ 0.0000988300000000, -0.0001086600000000, -0.0002443100000000 ] - [ 0.0002817300000000, -0.0002524500000000, -0.0001523200000000 ] - [ -0.0003574600000000, -0.0000622400000000, -0.0004225800000000 ] - [ -0.0004304700000000, -0.0000417300000000, -0.0001063800000000 ] - [ -0.0004294100000000, -0.0000834800000000, -0.0002040100000000 ] - [ -0.0003550500000000, -0.0000384900000000, -0.0001161000000000 ] - [ 0.0001003300000000, 0.0003750800000000, -0.0007232400000000 ] - [ 0.0000819300000000, 0.0003001800000000, -0.0000935700000000 ] - [ 0.0001133500000000, 0.0002820500000000, -0.0001422000000000 ] - [ 0.0001163100000000, 0.0003273000000000, -0.0002500600000000 ] - [ 0.0009128900000000, 0.0004429100000000, -0.0002814800000000 ] - [ -0.0004692300000000, 0.0001617300000000, 0.0001583700000000 ] - [ -0.0003653300000000, 0.0000943300000000, 0.0000416600000000 ] - [ -0.0011870400000000, -0.0025819000000000, 0.0015047700000000 ] - [ 0.0001074300000000, -0.0001602200000000, -0.0000876000000000 ] - [ 0.0000246700000000, -0.0006164100000000, -0.0004519800000000 ] - [ 0.0015506700000000, -0.0002547600000000, -0.0026338300000000 ] - [ 0.0001009800000000, -0.0003130500000000, 0.0000894800000000 ] - [ 0.0000778100000000, -0.0001597600000000, 0.0001422800000000 ] - [ 0.0000577100000000, -0.0001304600000000, 0.0001244600000000 ] - [ 0.0000606400000000, -0.0001154900000000, 0.0001296800000000 ] - [ 0.0000942500000000, -0.0001045600000000, 0.0001739400000000 ] - [ -0.0008083900000000, 0.0032099700000000, -0.0045860400000000 ] - [ 0.0000351600000000, 0.0001832400000000, -0.0000534900000000 ] - [ -0.0001160000000000, 0.0001479400000000, -0.0000729300000000 ] - [ 0.0002797300000000, 0.0000701500000000, -0.0000841000000000 ] - [ -0.0000937600000000, -0.0001073700000000, -0.0001903200000000 ] - [ -0.0003517100000000, -0.0003285900000000, -0.0000299300000000 ] - [ -0.0021139400000000, 0.0012820100000000, -0.0038710500000000 ] - [ -0.0003293000000000, 0.0000397600000000, 0.0000324600000000 ] - [ 0.0004647900000000, 0.0000553200000000, -0.0001909700000000 ] - [ 0.0005187000000000, 0.0001319700000000, -0.0003006700000000 ] - [ 0.0005749600000000, 0.0002292800000000, 0.0001760400000000 ] - [ 0.0004130900000000, 0.0001400200000000, -0.0001857700000000 ] - [ 0.0095069900000000, -0.0097219100000000, -0.0081092000000000 ] - [ -0.0001846500000000, 0.0003993800000000, -0.0002158300000000 ] - [ 0.0002932000000000, 0.0001927700000000, -0.0004091300000000 ] - [ -0.0003033600000000, 0.0002797700000000, -0.0001617800000000 ] - [ -0.0001627600000000, -0.0003915500000000, -0.0000921800000000 ] - [ -0.0002183400000000, -0.0004504000000000, -0.0000604700000000 ] - [ -0.0001150800000000, -0.0004016300000000, 0.0000786600000000 ] - [ -0.0001960900000000, -0.0004170500000000, -0.0001050600000000 ] - [ -0.0000375400000000, -0.0003010700000000, 0.0001725900000000 ] - [ -0.0003073100000000, -0.0003682500000000, 0.0001629000000000 ] - [ -0.0001697000000000, -0.0003147300000000, 0.0001345500000000 ] - [ -0.0004668600000000, -0.0004196000000000, 0.0006753900000000 ] - [ 0.0004882900000000, -0.0001152500000000, 0.0003593800000000 ] - [ 0.0004095100000000, -0.0000687200000000, 0.0002470400000000 ] - [ 0.0004196600000000, -0.0000092700000000, 0.0002922100000000 ] - [ 0.0004470300000000, -0.0000388300000000, 0.0002690300000000 ] - [ 0.0065931100000000, 0.0000255400000000, -0.0027100300000000 ] - [ -0.0001312100000000, 0.0004796400000000, 0.0001374500000000 ] - [ -0.0000230000000000, 0.0003287200000000, 0.0001586700000000 ] - [ 0.0001066600000000, 0.0007092800000000, 0.0001468800000000 ] - [ -0.0009118700000000, -0.0010904700000000, 0.0007314600000000 ] - [ -0.0002423200000000, -0.0007515300000000, 0.0000373400000000 ] - [ -0.0003073700000000, -0.0008413600000000, 0.0004192100000000 ] - [ -0.0005126400000000, -0.0008259700000000, 0.0002825300000000 ] - [ -0.0012071300000000, 0.0013403600000000, -0.0002336400000000 ] - [ -0.0005345200000000, 0.0004698600000000, -0.0002961500000000 ] - [ -0.0004188100000000, 0.0003749300000000, 0.0002140000000000 ] - [ 0.0017081100000000, 0.0027261000000000, -0.0095564700000000 ] - [ 0.0010890700000000, -0.0000828600000000, 0.0002238100000000 ] - [ 0.0008825000000000, -0.0000674900000000, 0.0003574000000000 ] - [ 0.0001169000000000, -0.0004224400000000, 0.0005830400000000 ] - [ 0.0012768700000000, 0.0000334900000000, 0.0000471400000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0021991500000000, -0.0003022600000000, -0.0004917800000000 ] - [ -0.0000195800000000, 0.0001149100000000, -0.0002335000000000 ] - [ -0.0016980100000000, -0.0001707300000000, -0.0008067200000000 ] - [ 0.0015221200000000, 0.0000633600000000, -0.0003645800000000 ] - [ -0.0001903400000000, 0.0005078300000000, -0.0000738800000000 ] - [ -0.0003187500000000, 0.0004445600000000, -0.0000571900000000 ] - [ -0.0002095000000000, 0.0004927800000000, -0.0001113800000000 ] - [ -0.0002125600000000, 0.0004761900000000, -0.0000763100000000 ] - [ 0.0011602400000000, 0.0002554100000000, -0.0004558600000000 ] - [ 0.0010549900000000, -0.0007496600000000, 0.0006207100000000 ] - [ 0.0006610200000000, 0.0000158600000000, -0.0000176900000000 ] - [ 0.0004436400000000, -0.0000310200000000, -0.0001536200000000 ] - [ -0.0002797700000000, -0.0005882100000000, 0.0002101300000000 ] - [ -0.0001522000000000, -0.0004382100000000, 0.0001209100000000 ] - [ -0.0002540500000000, -0.0005275700000000, 0.0001524800000000 ] - [ -0.0002124400000000, -0.0004956300000000, 0.0001588800000000 ] - [ 0.0053025000000000, 0.0004619900000000, -0.0008984800000000 ] - [ 0.0017841700000000, -0.0016316700000000, 0.0028273500000000 ] - [ 0.0008529900000000, 0.0002274700000000, 0.0000320100000000 ] - [ 0.0004020900000000, -0.0001502600000000, 0.0000270400000000 ] - [ -0.0006338600000000, 0.0004416200000000, -0.0003639000000000 ] - [ -0.0001787300000000, 0.0004231200000000, 0.0001359000000000 ] - [ -0.0000416200000000, 0.0001810000000000, 0.0002183700000000 ] - [ -0.0003191100000000, 0.0004771100000000, 0.0000329700000000 ] - [ -0.0600791900000000, 0.0227230700000000, -0.0098978300000000 ] - [ 0.0001011100000000, 0.0003760800000000, 0.0000426800000000 ] - [ 0.0001863000000000, 0.0001976800000000, -0.0000501400000000 ] - [ 0.0002854200000000, 0.0004284800000000, -0.0001805100000000 ] - [ 0.0039490100000000, -0.0003085400000000, 0.0038821100000000 ] - [ 0.0039707800000000, 0.0017864600000000, -0.0025761700000000 ] - [ 0.0000846900000000, -0.0001228300000000, -0.0000497400000000 ] - [ 0.0002476100000000, -0.0002883200000000, -0.0000650500000000 ] - [ -0.0003014200000000, 0.0001942400000000, 0.0003140800000000 ] - [ -0.0004332500000000, 0.0000405800000000, -0.0000691500000000 ] - [ -0.0003355000000000, 0.0001145300000000, 0.0001198500000000 ] - [ -0.0003283400000000, -0.0000302900000000, 0.0000513000000000 ] - [ 0.0001642500000000, 0.0003458600000000, -0.0000243600000000 ] - [ 0.0001338700000000, 0.0002986400000000, 0.0000983200000000 ] - [ 0.0001892300000000, 0.0003304300000000, 0.0000288600000000 ] - [ 0.0001774900000000, 0.0002724600000000, 0.0001886800000000 ] - [ 0.0000537200000000, -0.0001242400000000, -0.0001090300000000 ] - [ -0.0016637800000000, 0.0010461600000000, 0.0001008800000000 ] - [ -0.0003278000000000, 0.0000944900000000, -0.0000537200000000 ] - [ -0.0001359600000000, -0.0000064800000000, -0.0003123100000000 ] - [ 0.0000100000000000, -0.0003741200000000, 0.0001164500000000 ] - [ 0.0001420300000000, -0.0003909800000000, 0.0005591800000000 ] - [ 0.0002427300000000, -0.0002991000000000, -0.0000088200000000 ] - [ 0.0001034100000000, -0.0003503800000000, 0.0000290600000000 ] - [ 0.0000048500000000, -0.0001141000000000, -0.0000187800000000 ] - [ 0.0001562000000000, -0.0001581700000000, -0.0001468900000000 ] - [ 0.0000730800000000, -0.0001477000000000, -0.0000306400000000 ] - [ 0.0000755900000000, -0.0000881100000000, -0.0000655800000000 ] - [ 0.0000966800000000, 0.0001299900000000, 0.0001351000000000 ] - [ 0.0000580500000000, -0.0001221600000000, -0.0002883600000000 ] - [ 0.0001065000000000, 0.0001624800000000, 0.0000308500000000 ] - [ 0.0000077600000000, 0.0001960100000000, -0.0000266100000000 ] - [ 0.0010205000000000, 0.0013099600000000, 0.0002952100000000 ] - [ -0.0003336000000000, 0.0001761800000000, 0.0003271200000000 ] - [ -0.0001893800000000, -0.0000161800000000, 0.0000305800000000 ] - [ 0.0013746400000000, 0.0027021100000000, -0.0005401100000000 ] - [ 0.0004865900000000, 0.0000461000000000, -0.0001586900000000 ] - [ 0.0003287500000000, -0.0000553100000000, -0.0001183400000000 ] - [ 0.0004580900000000, 0.0000874700000000, -0.0002499200000000 ] - [ 0.0004314500000000, 0.0000638700000000, -0.0001827400000000 ] - [ 0.0242552700000000, -0.0089651900000000, -0.0113691600000000 ] - [ -0.0008406000000000, -0.0001841000000000, -0.0002107300000000 ] - [ -0.0002058000000000, 0.0003075800000000, -0.0002735600000000 ] - [ -0.0002788200000000, 0.0005260100000000, -0.0000748100000000 ] - [ -0.0002186300000000, -0.0004313900000000, -0.0002952300000000 ] - [ -0.0001594800000000, -0.0003911600000000, -0.0002291300000000 ] - [ -0.0002893000000000, -0.0004377400000000, -0.0002456400000000 ] - [ 0.0000701600000000, -0.0002775300000000, -0.0002844800000000 ] - [ -0.0007652500000000, -0.0004457700000000, 0.0003663700000000 ] - [ 0.0012106600000000, -0.0027950900000000, -0.0057525600000000 ] - [ -0.0002678400000000, -0.0004165600000000, 0.0002176500000000 ] - [ -0.0002667200000000, -0.0003433600000000, 0.0002306200000000 ] - [ 0.0004647200000000, -0.0000234200000000, 0.0000965000000000 ] - [ 0.0004707200000000, -0.0000867800000000, 0.0001557200000000 ] - [ 0.0004638400000000, -0.0000483900000000, 0.0001493700000000 ] - [ 0.0004168500000000, -0.0000431600000000, 0.0001319800000000 ] - [ -0.0003504300000000, 0.0002539500000000, 0.0002500200000000 ] - [ -0.0001218800000000, 0.0005077100000000, 0.0001532600000000 ] - [ 0.0000192400000000, 0.0001916200000000, 0.0002588000000000 ] - [ -0.0010278600000000, 0.0006452700000000, 0.0004142300000000 ] - [ -0.0005393200000000, -0.0007703400000000, -0.0002511900000000 ] - [ 0.0000054400000000, -0.0017924000000000, 0.0014056000000000 ] - [ -0.0001866700000000, -0.0011725900000000, -0.0000059800000000 ] - [ -0.0007024800000000, -0.0008158500000000, 0.0000500700000000 ] - [ -0.0022571100000000, 0.0012150200000000, -0.0008296300000000 ] - [ 0.0174330900000000, -0.0155110000000000, 0.0241007800000000 ] - [ -0.0009147200000000, 0.0002523200000000, 0.0003739300000000 ] - [ -0.0008003100000000, 0.0013211500000000, 0.0005060900000000 ] - [ 0.0009765200000000, -0.0000171000000000, -0.0001666700000000 ] - [ 0.0013339100000000, 0.0001272600000000, -0.0003795400000000 ] - [ 0.0008662900000000, -0.0000714200000000, 0.0000086300000000 ] - [ 0.0009519100000000, 0.0000681100000000, -0.0000600000000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0028686700000000, -0.0005573800000000, 0.0002898400000000 ] - [ -0.0005961000000000, -0.0009834100000000, -0.0000026900000000 ] - [ 0.0010728900000000, -0.0007267700000000, 0.0005763400000000 ] - [ -0.0021390100000000, -0.0009479200000000, 0.0001260800000000 ] - [ -0.0002592000000000, 0.0004669900000000, -0.0001579100000000 ] - [ -0.0001316300000000, 0.0005278400000000, -0.0001755900000000 ] - [ -0.0002398000000000, 0.0004808100000000, -0.0001215700000000 ] - [ -0.0002377700000000, 0.0004981200000000, -0.0001565100000000 ] - [ -0.0000785700000000, -0.0003489400000000, 0.0002191000000000 ] - [ 0.0000111300000000, 0.0006504700000000, -0.0008617600000000 ] - [ 0.0004091000000000, -0.0001126100000000, -0.0002176500000000 ] - [ 0.0006267900000000, -0.0000671100000000, -0.0000815500000000 ] - [ -0.0001705900000000, -0.0003818100000000, 0.0000281300000000 ] - [ -0.0002955100000000, -0.0005345000000000, 0.0001149200000000 ] - [ -0.0001949700000000, -0.0004461600000000, 0.0000830100000000 ] - [ -0.0002363200000000, -0.0004774800000000, 0.0000770600000000 ] - [ -0.0042794300000000, -0.0003908700000000, 0.0011587000000000 ] - [ -0.0006086600000000, 0.0016541900000000, -0.0025073100000000 ] - [ 0.0002181500000000, -0.0001314300000000, 0.0002000000000000 ] - [ 0.0006639500000000, 0.0002440700000000, 0.0002068100000000 ] - [ 0.0000137500000000, 0.0004457100000000, 0.0006041200000000 ] - [ -0.0004388200000000, 0.0004552100000000, 0.0000988900000000 ] - [ -0.0005779900000000, 0.0006927100000000, 0.0000221600000000 ] - [ -0.0003005500000000, 0.0004003100000000, 0.0002027400000000 ] - [ 0.0619886600000000, -0.0223935800000000, 0.0092517600000000 ] - [ 0.0002717000000000, 0.0002114500000000, -0.0000053100000000 ] - [ 0.0001817800000000, 0.0003771900000000, 0.0000943300000000 ] - [ 0.0000830800000000, 0.0001542900000000, 0.0002222100000000 ] - [ -0.0036104900000000, -0.0002830700000000, -0.0039397100000000 ] - [ -0.0035884600000000, -0.0023546200000000, 0.0025144500000000 ] - [ 0.0002845200000000, -0.0004574000000000, 0.0000048800000000 ] - [ 0.0001210800000000, -0.0002928400000000, 0.0000212000000000 ] - [ -0.0003891000000000, -0.0001687800000000, -0.0002604100000000 ] - [ -0.0002541100000000, -0.0000121600000000, 0.0001110100000000 ] - [ -0.0003520000000000, -0.0000841100000000, -0.0000764800000000 ] - [ -0.0003590700000000, 0.0000591900000000, -0.0000072500000000 ] - [ 0.0001565600000000, 0.0002641300000000, -0.0000153600000000 ] - [ 0.0001861200000000, 0.0003118800000000, -0.0001396300000000 ] - [ 0.0001303200000000, 0.0002795100000000, -0.0000687800000000 ] - [ 0.0001424900000000, 0.0003373200000000, -0.0002272400000000 ] - [ -0.0007397100000000, 0.0000991500000000, 0.0000625100000000 ] - [ 0.0009654100000000, -0.0010686700000000, -0.0001101300000000 ] - [ -0.0003608000000000, -0.0001211600000000, 0.0000084100000000 ] - [ -0.0005496700000000, -0.0000295100000000, 0.0002645400000000 ] - [ 0.0003097800000000, -0.0002349500000000, -0.0000680300000000 ] - [ 0.0001753700000000, -0.0002212400000000, -0.0005093200000000 ] - [ 0.0000768200000000, -0.0003106400000000, 0.0000556500000000 ] - [ 0.0002149300000000, -0.0002587200000000, 0.0000185000000000 ] - [ 0.0001405100000000, -0.0001397800000000, 0.0000179100000000 ] - [ -0.0000090600000000, -0.0000945800000000, 0.0001452600000000 ] - [ 0.0000729900000000, -0.0001063500000000, 0.0000304300000000 ] - [ 0.0000713200000000, -0.0001652800000000, 0.0000648400000000 ] - [ 0.0000526800000000, 0.0001226000000000, -0.0001313400000000 ] - [ 0.0000863500000000, 0.0003718800000000, 0.0002816600000000 ] - [ 0.0000398200000000, 0.0000930800000000, -0.0000325900000000 ] - [ 0.0001396200000000, 0.0000587900000000, 0.0000258800000000 ] - [ -0.0013321500000000, -0.0013629500000000, -0.0003079600000000 ] - [ 0.0000369700000000, -0.0001750200000000, -0.0003199600000000 ] - [ -0.0001106900000000, 0.0000228700000000, -0.0000327700000000 ] - [ -0.0016779900000000, -0.0026798100000000, 0.0005341900000000 ] - [ 0.0003932300000000, 0.0000661300000000, -0.0002111300000000 ] - [ 0.0005496100000000, 0.0001655600000000, -0.0002464100000000 ] - [ 0.0004215900000000, 0.0000234900000000, -0.0001140800000000 ] - [ 0.0004471600000000, 0.0000465100000000, -0.0001817800000000 ] - [ -0.0261681700000000, 0.0101759600000000, 0.0115020800000000 ] - [ 0.0002974400000000, 0.0008849100000000, -0.0001417000000000 ] - [ -0.0003297300000000, 0.0004072300000000, -0.0000823300000000 ] - [ -0.0002558800000000, 0.0001891300000000, -0.0002822400000000 ] - [ -0.0001273500000000, -0.0003898700000000, -0.0000678000000000 ] - [ -0.0001858500000000, -0.0004284200000000, -0.0001333100000000 ] - [ -0.0000553400000000, -0.0003818700000000, -0.0001163600000000 ] - [ -0.0004149900000000, -0.0005439800000000, -0.0000767800000000 ] - [ 0.0002146800000000, -0.0002650900000000, -0.0000030700000000 ] - [ -0.0017622200000000, 0.0020620500000000, 0.0059975100000000 ] - [ -0.0002699300000000, -0.0002918300000000, 0.0001444400000000 ] - [ -0.0002716000000000, -0.0003639900000000, 0.0001306600000000 ] - [ 0.0004185600000000, -0.0000837100000000, 0.0002594700000000 ] - [ 0.0004132100000000, -0.0000212500000000, 0.0002029300000000 ] - [ 0.0004204500000000, -0.0000598300000000, 0.0002090000000000 ] - [ 0.0004672700000000, -0.0000649800000000, 0.0002265400000000 ] - [ 0.0000023300000000, 0.0005624800000000, 0.0001155900000000 ] - [ -0.0002213100000000, 0.0003032400000000, 0.0002088800000000 ] - [ -0.0003566600000000, 0.0006260900000000, 0.0001022200000000 ] - [ 0.0006756600000000, 0.0001862500000000, -0.0000607000000000 ] - [ -0.0004183700000000, -0.0009123500000000, 0.0002203800000000 ] - [ -0.0009879200000000, 0.0000808900000000, -0.0014090000000000 ] - [ -0.0007969500000000, -0.0005449600000000, 0.0000108600000000 ] - [ -0.0002833800000000, -0.0008963900000000, -0.0000500200000000 ] - [ 0.0012544200000000, 0.0004726600000000, 0.0008468400000000 ] - [ -0.0185425900000000, 0.0170958400000000, -0.0239013600000000 ] - [ -0.0000762300000000, 0.0014466300000000, -0.0003690800000000 ] - [ -0.0001702700000000, 0.0004101100000000, -0.0005113200000000 ] - [ 0.0009962500000000, 0.0000146000000000, 0.0001615200000000 ] - [ 0.0006405400000000, -0.0001269000000000, 0.0003740000000000 ] - [ 0.0011037800000000, 0.0000688200000000, -0.0000127700000000 ] - [ 0.0010208600000000, -0.0000712500000000, 0.0000555900000000 ]- atom: 25 displacement: [ -0.0049999999981634, 0.0086602540389047, 0.0000000000000000 ] forces: - [ -0.0033574400000000, 0.0005121000000000, 0.0010915600000000 ] - [ -0.0001072500000000, -0.0001272800000000, 0.0001070000000000 ] - [ -0.0001021100000000, 0.0030192200000000, -0.0041100000000000 ] - [ -0.0013072000000000, -0.0007256800000000, 0.0001114200000000 ] - [ -0.0001881700000000, 0.0004242900000000, -0.0002441200000000 ] - [ -0.0001173100000000, 0.0004319000000000, -0.0001891400000000 ] - [ -0.0002465800000000, 0.0005562900000000, -0.0002076100000000 ] - [ -0.0002550200000000, 0.0005160600000000, -0.0001676400000000 ] - [ 0.0002221100000000, -0.0002091600000000, 0.0000187900000000 ] - [ -0.0001726200000000, 0.0011986400000000, -0.0015162700000000 ] - [ 0.0006339700000000, -0.0000426000000000, -0.0000654600000000 ] - [ 0.0005459600000000, -0.0000834800000000, -0.0000594700000000 ] - [ -0.0002121600000000, -0.0003866500000000, 0.0000585700000000 ] - [ -0.0002795500000000, -0.0005229800000000, 0.0000715900000000 ] - [ -0.0002569800000000, -0.0004874300000000, 0.0000402200000000 ] - [ -0.0002456800000000, -0.0004811300000000, 0.0000745900000000 ] - [ -0.0009871500000000, 0.0007950600000000, -0.0001180500000000 ] - [ -0.0009135500000000, 0.0003944900000000, -0.0016688500000000 ] - [ 0.0006433200000000, 0.0003743100000000, 0.0002218500000000 ] - [ 0.0003023800000000, 0.0006377700000000, 0.0003321300000000 ] - [ 0.0004113500000000, 0.0009300800000000, 0.0013265200000000 ] - [ -0.0004166000000000, 0.0004500300000000, 0.0001023200000000 ] - [ -0.0005576000000000, 0.0007249600000000, 0.0000365400000000 ] - [ -0.0002536400000000, 0.0004402700000000, 0.0000025600000000 ] - [ 0.0503687100000000, -0.0498995700000000, 0.0352905800000000 ] - [ 0.0003008600000000, 0.0000933200000000, 0.0002170100000000 ] - [ 0.0001050000000000, 0.0006226300000000, -0.0000185000000000 ] - [ 0.0002524300000000, 0.0005566200000000, 0.0002018600000000 ] - [ -0.0035132400000000, -0.0006652900000000, -0.0033133600000000 ] - [ -0.0017013000000000, -0.0017004900000000, 0.0011295400000000 ] - [ 0.0000894300000000, -0.0003342000000000, 0.0001961500000000 ] - [ 0.0001505900000000, -0.0001229300000000, -0.0000409500000000 ] - [ -0.0003752800000000, -0.0001779700000000, -0.0003660100000000 ] - [ -0.0002783100000000, -0.0000127000000000, -0.0000502900000000 ] - [ -0.0003953500000000, -0.0000324800000000, 0.0000596100000000 ] - [ -0.0002762600000000, 0.0001491400000000, 0.0000050500000000 ] - [ 0.0001114200000000, 0.0002813900000000, -0.0000769900000000 ] - [ 0.0001145900000000, 0.0003130500000000, -0.0001365000000000 ] - [ 0.0001152500000000, 0.0002487900000000, -0.0002340700000000 ] - [ 0.0001288700000000, 0.0003075000000000, -0.0002697600000000 ] - [ -0.0004845500000000, -0.0000304800000000, 0.0000249100000000 ] - [ 0.0006531900000000, -0.0024036900000000, 0.0010185400000000 ] - [ -0.0001085600000000, 0.0001879400000000, 0.0001089400000000 ] - [ -0.0006365300000000, 0.0002637900000000, 0.0002948000000000 ] - [ 0.0003393600000000, -0.0002023400000000, -0.0000098500000000 ] - [ 0.0002268400000000, -0.0002405300000000, -0.0005032500000000 ] - [ 0.0000092000000000, -0.0002544700000000, -0.0000158900000000 ] - [ 0.0001485100000000, -0.0003241900000000, -0.0002055700000000 ] - [ 0.0001133200000000, -0.0001097100000000, 0.0000920000000000 ] - [ 0.0000300900000000, -0.0000354600000000, 0.0001897200000000 ] - [ 0.0000474800000000, -0.0001596500000000, 0.0000626800000000 ] - [ 0.0000902600000000, -0.0001821900000000, 0.0000889700000000 ] - [ 0.0001353400000000, 0.0002568700000000, -0.0000726800000000 ] - [ -0.0000027000000000, 0.0003648400000000, 0.0002283900000000 ] - [ 0.0001511300000000, -0.0001659300000000, 0.0004329100000000 ] - [ 0.0000713100000000, -0.0000047500000000, 0.0000298600000000 ] - [ 0.0005377100000000, 0.0020560900000000, -0.0001419700000000 ] - [ 0.0000447500000000, -0.0000754800000000, -0.0003797800000000 ] - [ -0.0000169700000000, -0.0001286000000000, -0.0001051000000000 ] - [ 0.0011985000000000, 0.0027416500000000, -0.0008734700000000 ] - [ 0.0005254400000000, 0.0003049000000000, -0.0005148900000000 ] - [ 0.0005355700000000, 0.0001667300000000, -0.0001899700000000 ] - [ 0.0004449400000000, 0.0000109800000000, -0.0001042000000000 ] - [ 0.0004053500000000, 0.0000019900000000, -0.0001206600000000 ] - [ -0.0165513700000000, 0.0059896300000000, 0.0072582700000000 ] - [ 0.0000594000000000, 0.0008213500000000, -0.0003921000000000 ] - [ -0.0004061800000000, -0.0002175200000000, -0.0001413000000000 ] - [ -0.0003822900000000, 0.0000383600000000, -0.0002972800000000 ] - [ -0.0002456200000000, -0.0003236000000000, -0.0000837400000000 ] - [ -0.0001660600000000, -0.0003867400000000, -0.0000954600000000 ] - [ -0.0001037900000000, -0.0004499300000000, -0.0000933900000000 ] - [ -0.0004790800000000, -0.0006220900000000, -0.0000333400000000 ] - [ 0.0003371800000000, -0.0001790300000000, -0.0001027800000000 ] - [ -0.0036078700000000, 0.0014255900000000, 0.0065153700000000 ] - [ -0.0003523800000000, -0.0004196900000000, 0.0001007500000000 ] - [ -0.0002072700000000, -0.0003861300000000, 0.0000702900000000 ] - [ 0.0004390300000000, -0.0000487500000000, 0.0003230800000000 ] - [ 0.0004089900000000, -0.0000357200000000, 0.0002571600000000 ] - [ 0.0004351200000000, -0.0000414800000000, 0.0002198700000000 ] - [ 0.0004549900000000, -0.0000753900000000, 0.0002448800000000 ] - [ 0.0003566000000000, 0.0005699200000000, 0.0000800000000000 ] - [ -0.0001123700000000, 0.0002672700000000, -0.0001153900000000 ] - [ -0.0008508000000000, 0.0001384400000000, 0.0006609900000000 ] - [ 0.0004064900000000, 0.0003361600000000, -0.0000637700000000 ] - [ -0.0002078500000000, -0.0011015800000000, 0.0006794100000000 ] - [ -0.0008202000000000, -0.0004679500000000, -0.0004057500000000 ] - [ -0.0004248300000000, -0.0004928900000000, -0.0003576800000000 ] - [ -0.0006462300000000, -0.0008913600000000, 0.0000183500000000 ] - [ -0.0003203300000000, 0.0010887500000000, 0.0003081600000000 ] - [ -0.0223794000000000, 0.0354750200000000, -0.0419286600000000 ] - [ -0.0007901200000000, 0.0005379700000000, -0.0004821800000000 ] - [ -0.0000040300000000, -0.0003043600000000, -0.0003515500000000 ] - [ 0.0007904600000000, -0.0001398100000000, 0.0002952400000000 ] - [ 0.0006536300000000, 0.0000091300000000, 0.0004476300000000 ] - [ 0.0011949100000000, -0.0000259500000000, 0.0000941900000000 ] - [ 0.0010824000000000, -0.0000917600000000, 0.0001938500000000 ]- atom: 25 displacement: [ 0.0049999999981634, -0.0086602540389047, 0.0000000000000000 ] forces: - [ 0.0027031200000000, -0.0013634500000000, -0.0012928100000000 ] - [ -0.0005095500000000, -0.0007495000000000, -0.0003430300000000 ] - [ -0.0005467700000000, -0.0039716800000000, 0.0039377900000000 ] - [ 0.0007004200000000, -0.0001515800000000, -0.0003483200000000 ] - [ -0.0002624400000000, 0.0005503200000000, 0.0000115100000000 ] - [ -0.0003330600000000, 0.0005420200000000, -0.0000439400000000 ] - [ -0.0002033300000000, 0.0004169100000000, -0.0000250800000000 ] - [ -0.0001951200000000, 0.0004574000000000, -0.0000653500000000 ] - [ 0.0008465600000000, 0.0001095500000000, -0.0002516800000000 ] - [ 0.0012362200000000, -0.0012863100000000, 0.0012736900000000 ] - [ 0.0004374200000000, -0.0000548200000000, -0.0001692000000000 ] - [ 0.0005232500000000, -0.0000135600000000, -0.0001766000000000 ] - [ -0.0002380800000000, -0.0005859600000000, 0.0001776100000000 ] - [ -0.0001690600000000, -0.0004502800000000, 0.0001639300000000 ] - [ -0.0001918300000000, -0.0004856800000000, 0.0001955000000000 ] - [ -0.0002032800000000, -0.0004917600000000, 0.0001612700000000 ] - [ 0.0020787800000000, -0.0006854300000000, 0.0003410600000000 ] - [ 0.0020669400000000, -0.0003329400000000, 0.0019719900000000 ] - [ 0.0004263900000000, -0.0002812000000000, 0.0000100700000000 ] - [ 0.0007627600000000, -0.0005394800000000, -0.0000979900000000 ] - [ -0.0010383400000000, -0.0000298100000000, -0.0010787000000000 ] - [ -0.0002027000000000, 0.0004286800000000, 0.0001330700000000 ] - [ -0.0000637900000000, 0.0001520200000000, 0.0002012100000000 ] - [ -0.0003655100000000, 0.0004372300000000, 0.0002321400000000 ] - [ -0.0497280200000000, 0.0508752800000000, -0.0368431400000000 ] - [ 0.0000726800000000, 0.0004903000000000, -0.0001764300000000 ] - [ 0.0002630800000000, -0.0000433400000000, 0.0000616000000000 ] - [ 0.0001161800000000, 0.0000290100000000, -0.0001609300000000 ] - [ 0.0038526700000000, 0.0000684300000000, 0.0032524500000000 ] - [ 0.0020560500000000, 0.0011163500000000, -0.0011587400000000 ] - [ 0.0002791700000000, -0.0002450400000000, -0.0002409500000000 ] - [ 0.0002176700000000, -0.0004575400000000, -0.0000028500000000 ] - [ -0.0003135900000000, 0.0002037600000000, 0.0004114700000000 ] - [ -0.0004105900000000, 0.0000396800000000, 0.0000947700000000 ] - [ -0.0002928200000000, 0.0000651100000000, -0.0000168500000000 ] - [ -0.0004108000000000, -0.0001201600000000, 0.0000384800000000 ] - [ 0.0002085300000000, 0.0003285000000000, 0.0000374900000000 ] - [ 0.0002045300000000, 0.0002968300000000, 0.0000952600000000 ] - [ 0.0002051600000000, 0.0003609400000000, 0.0001949700000000 ] - [ 0.0001904800000000, 0.0003025700000000, 0.0002296900000000 ] - [ -0.0001983700000000, 0.0000007700000000, -0.0000708900000000 ] - [ -0.0013515700000000, 0.0023864300000000, -0.0010367100000000 ] - [ -0.0005827600000000, -0.0002198300000000, -0.0001526700000000 ] - [ -0.0000489200000000, -0.0002915600000000, -0.0003405500000000 ] - [ -0.0000221700000000, -0.0004072700000000, 0.0000554200000000 ] - [ 0.0000909100000000, -0.0003703000000000, 0.0005512200000000 ] - [ 0.0003096000000000, -0.0003562000000000, 0.0000623400000000 ] - [ 0.0001691900000000, -0.0002854800000000, 0.0002518000000000 ] - [ 0.0000329800000000, -0.0001445600000000, -0.0000921200000000 ] - [ 0.0001156800000000, -0.0002169500000000, -0.0001920700000000 ] - [ 0.0000983600000000, -0.0000945100000000, -0.0000626700000000 ] - [ 0.0000566600000000, -0.0000717100000000, -0.0000890700000000 ] - [ 0.0000128200000000, -0.0000027300000000, 0.0000759100000000 ] - [ 0.0001479100000000, -0.0001140400000000, -0.0002335500000000 ] - [ -0.0000057700000000, 0.0004217700000000, -0.0004367200000000 ] - [ 0.0000761000000000, 0.0002581600000000, -0.0000300900000000 ] - [ -0.0008508500000000, -0.0020775800000000, 0.0001391200000000 ] - [ -0.0003411600000000, 0.0000762400000000, 0.0003839600000000 ] - [ -0.0002788500000000, 0.0001312400000000, 0.0001038400000000 ] - [ -0.0014456600000000, -0.0026827200000000, 0.0008491400000000 ] - [ 0.0003542100000000, -0.0001915900000000, 0.0001471200000000 ] - [ 0.0003433300000000, -0.0000565300000000, -0.0001743600000000 ] - [ 0.0004344500000000, 0.0000996700000000, -0.0002601200000000 ] - [ 0.0004738600000000, 0.0001087300000000, -0.0002445200000000 ] - [ 0.0152916600000000, -0.0052411100000000, -0.0073937100000000 ] - [ -0.0006004100000000, -0.0001175000000000, 0.0000410800000000 ] - [ -0.0001331900000000, 0.0009359100000000, -0.0002101700000000 ] - [ -0.0001536600000000, 0.0006732400000000, -0.0000605900000000 ] - [ -0.0001012400000000, -0.0004964200000000, -0.0002791600000000 ] - [ -0.0001785600000000, -0.0004339800000000, -0.0002663000000000 ] - [ -0.0002398800000000, -0.0003703000000000, -0.0002676400000000 ] - [ 0.0001330000000000, -0.0002005000000000, -0.0003272200000000 ] - [ -0.0008758900000000, -0.0005296400000000, 0.0004638700000000 ] - [ 0.0031082900000000, -0.0021105100000000, -0.0062660700000000 ] - [ -0.0001856900000000, -0.0002891500000000, 0.0002609100000000 ] - [ -0.0003307300000000, -0.0003221700000000, 0.0002914300000000 ] - [ 0.0004451500000000, -0.0000595300000000, 0.0000355700000000 ] - [ 0.0004747400000000, -0.0000726000000000, 0.0001014300000000 ] - [ 0.0004489000000000, -0.0000670200000000, 0.0001383800000000 ] - [ 0.0004292300000000, -0.0000329000000000, 0.0001140800000000 ] - [ -0.0007003200000000, 0.0002484200000000, 0.0002828200000000 ] - [ -0.0002318500000000, 0.0005442200000000, 0.0004764000000000 ] - [ 0.0005221800000000, 0.0006721500000000, -0.0002941000000000 ] - [ -0.0007560800000000, 0.0004909400000000, 0.0004225400000000 ] - [ -0.0007687900000000, -0.0005992800000000, -0.0006872000000000 ] - [ -0.0001671400000000, -0.0012293400000000, 0.0003961100000000 ] - [ -0.0005546200000000, -0.0012324300000000, 0.0003665800000000 ] - [ -0.0003416100000000, -0.0008194900000000, -0.0000181000000000 ] - [ -0.0006976100000000, 0.0006233600000000, -0.0003074500000000 ] - [ 0.0218114900000000, -0.0342262900000000, 0.0432592400000000 ] - [ -0.0001976200000000, 0.0011699400000000, 0.0004869000000000 ] - [ -0.0009783500000000, 0.0020202700000000, 0.0003482400000000 ] - [ 0.0011819900000000, 0.0001376000000000, -0.0002993900000000 ] - [ 0.0013199100000000, -0.0000114700000000, -0.0004511000000000 ] - [ 0.0007762800000000, 0.0000248100000000, -0.0000978000000000 ] - [ 0.0008910500000000, 0.0000899700000000, -0.0001977700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0013016200000000, 0.0007288800000000, 0.0000230000000000 ] - [ -0.0004438700000000, -0.0002968800000000, -0.0003586500000000 ] - [ -0.0004182600000000, -0.0024806300000000, 0.0003282300000000 ] - [ 0.0000296700000000, -0.0001993400000000, -0.0003109700000000 ] - [ -0.0002548600000000, 0.0005788900000000, 0.0001112300000000 ] - [ 0.0001017400000000, 0.0000647900000000, 0.0003313600000000 ] - [ -0.0001902000000000, 0.0004735100000000, 0.0000121200000000 ] - [ -0.0002611900000000, 0.0006272100000000, 0.0000225900000000 ] - [ -0.0000031100000000, -0.0003233200000000, 0.0003556700000000 ] - [ 0.0004958000000000, -0.0018208300000000, 0.0025360600000000 ] - [ 0.0006303300000000, -0.0000198100000000, -0.0000064300000000 ] - [ 0.0004244900000000, 0.0000196500000000, -0.0001839500000000 ] - [ -0.0003938000000000, -0.0001369800000000, 0.0008326500000000 ] - [ -0.0001690900000000, -0.0004415600000000, 0.0002401400000000 ] - [ -0.0001923500000000, -0.0005891400000000, 0.0001909400000000 ] - [ -0.0003069100000000, -0.0005532700000000, 0.0003484700000000 ] - [ -0.0013497600000000, -0.0006788100000000, 0.0003747200000000 ] - [ 0.0013343300000000, 0.0004442100000000, -0.0013998400000000 ] - [ 0.0002748500000000, -0.0002117200000000, 0.0000511600000000 ] - [ 0.0005818400000000, -0.0000676100000000, -0.0000661500000000 ] - [ -0.0002147800000000, 0.0036239300000000, 0.0029856400000000 ] - [ -0.0001739700000000, 0.0005331700000000, 0.0001577600000000 ] - [ -0.0004769500000000, 0.0000844100000000, 0.0002510300000000 ] - [ -0.0001831100000000, 0.0003735100000000, 0.0003421000000000 ] - [ -0.0101330700000000, 0.0373726300000000, -0.0987350000000000 ] - [ 0.0002091100000000, 0.0005328600000000, -0.0003474700000000 ] - [ 0.0001115100000000, 0.0002016500000000, -0.0001546900000000 ] - [ -0.0000172900000000, 0.0003850600000000, -0.0004627100000000 ] - [ 0.0027265700000000, -0.0004390600000000, 0.0029606100000000 ] - [ -0.0037097000000000, -0.0018205300000000, 0.0029543000000000 ] - [ 0.0002119700000000, -0.0000508900000000, -0.0001724200000000 ] - [ 0.0002276100000000, -0.0003375100000000, -0.0000306600000000 ] - [ -0.0004002900000000, 0.0000883100000000, 0.0008876300000000 ] - [ -0.0001231200000000, 0.0001485100000000, 0.0002920400000000 ] - [ -0.0003499400000000, 0.0006264000000000, 0.0001579600000000 ] - [ -0.0002727400000000, 0.0000176000000000, 0.0001983200000000 ] - [ 0.0002166400000000, 0.0003433400000000, 0.0003512200000000 ] - [ 0.0003748000000000, 0.0003719200000000, 0.0003504500000000 ] - [ 0.0002762800000000, 0.0002348200000000, 0.0003489500000000 ] - [ 0.0004108600000000, 0.0002081900000000, 0.0002676800000000 ] - [ -0.0002427100000000, -0.0001087900000000, -0.0002422800000000 ] - [ 0.0007978100000000, -0.0005586400000000, 0.0051117800000000 ] - [ -0.0003823500000000, -0.0000918300000000, -0.0002424600000000 ] - [ -0.0003125700000000, -0.0003652900000000, -0.0002756500000000 ] - [ -0.0002318100000000, -0.0004122100000000, 0.0008898400000000 ] - [ 0.0001973300000000, -0.0004410200000000, 0.0001600300000000 ] - [ 0.0001428600000000, -0.0003293100000000, 0.0001996900000000 ] - [ 0.0000873200000000, -0.0001553300000000, 0.0002959200000000 ] - [ 0.0000246600000000, -0.0002033600000000, -0.0002568000000000 ] - [ 0.0001302600000000, -0.0000656300000000, -0.0004792100000000 ] - [ 0.0000116500000000, -0.0001266300000000, -0.0002067500000000 ] - [ 0.0001319700000000, -0.0000822900000000, -0.0002274300000000 ] - [ 0.0005788600000000, 0.0000405900000000, 0.0000289200000000 ] - [ -0.0004413600000000, 0.0000398400000000, -0.0000334000000000 ] - [ 0.0000425600000000, 0.0003273600000000, -0.0002538800000000 ] - [ 0.0000815600000000, 0.0001184900000000, -0.0000122100000000 ] - [ -0.0001114000000000, -0.0002443500000000, 0.0006503100000000 ] - [ -0.0001306100000000, -0.0000962900000000, 0.0003157900000000 ] - [ -0.0002851800000000, 0.0002205900000000, 0.0003223500000000 ] - [ -0.0003111700000000, -0.0005676200000000, 0.0003861400000000 ] - [ 0.0007198900000000, 0.0003108100000000, -0.0014408200000000 ] - [ 0.0003920200000000, -0.0000011900000000, -0.0001765500000000 ] - [ 0.0004472400000000, 0.0000653200000000, -0.0001994600000000 ] - [ 0.0003376500000000, 0.0000172900000000, -0.0001759900000000 ] - [ -0.0107084700000000, 0.0020854900000000, 0.0044790700000000 ] - [ -0.0002890000000000, 0.0003898300000000, 0.0003031900000000 ] - [ -0.0000274300000000, 0.0005663900000000, -0.0001937500000000 ] - [ -0.0002966300000000, 0.0004756300000000, 0.0000235400000000 ] - [ -0.0005405500000000, -0.0004035800000000, -0.0004636400000000 ] - [ -0.0001950800000000, -0.0004281000000000, -0.0003687300000000 ] - [ -0.0000557100000000, -0.0003553100000000, -0.0003274100000000 ] - [ 0.0000873900000000, -0.0002859600000000, -0.0002915400000000 ] - [ -0.0008826700000000, -0.0006524400000000, 0.0004937400000000 ] - [ -0.0014216300000000, 0.0019427700000000, 0.0072019500000000 ] - [ -0.0002394800000000, -0.0003409100000000, 0.0002770700000000 ] - [ -0.0002951800000000, -0.0002970000000000, 0.0003541700000000 ] - [ 0.0006214500000000, 0.0000902700000000, -0.0001112700000000 ] - [ 0.0003823900000000, -0.0001752800000000, -0.0000324000000000 ] - [ 0.0004596800000000, -0.0000471700000000, -0.0000259500000000 ] - [ 0.0004540100000000, -0.0000488300000000, 0.0000288300000000 ] - [ -0.0003397700000000, 0.0004375000000000, 0.0001553200000000 ] - [ -0.0002239400000000, 0.0000324000000000, 0.0002283600000000 ] - [ -0.0000142400000000, 0.0006619700000000, 0.0001538600000000 ] - [ -0.0003889200000000, 0.0002306200000000, 0.0004701700000000 ] - [ 0.0001917300000000, -0.0001793200000000, -0.0012225300000000 ] - [ -0.0013725900000000, -0.0002408600000000, -0.0018489700000000 ] - [ 0.0001076600000000, -0.0025182600000000, 0.0008424900000000 ] - [ -0.0006127100000000, -0.0011155100000000, -0.0001121000000000 ] - [ -0.0002461700000000, -0.0000225700000000, 0.0003933800000000 ] - [ 0.0239585200000000, -0.0365677300000000, 0.0705026500000000 ] - [ 0.0000855700000000, 0.0005461600000000, 0.0005598300000000 ] - [ -0.0004418400000000, 0.0011847800000000, 0.0002443400000000 ] - [ 0.0012253900000000, -0.0000538700000000, -0.0009609100000000 ] - [ 0.0006277500000000, 0.0006514400000000, -0.0000981900000000 ] - [ 0.0007844900000000, 0.0000074500000000, -0.0003391400000000 ] - [ 0.0006331300000000, -0.0004760700000000, -0.0004884100000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006988600000000, -0.0015904700000000, -0.0002505300000000 ] - [ -0.0001738900000000, -0.0005762300000000, 0.0001210300000000 ] - [ -0.0002036000000000, 0.0015286500000000, -0.0005385200000000 ] - [ -0.0006392300000000, -0.0006770800000000, 0.0000743600000000 ] - [ -0.0001958500000000, 0.0003954500000000, -0.0003412200000000 ] - [ -0.0005476700000000, 0.0009036300000000, -0.0005607500000000 ] - [ -0.0002588000000000, 0.0004988600000000, -0.0002443300000000 ] - [ -0.0001891900000000, 0.0003480100000000, -0.0002537500000000 ] - [ 0.0010788300000000, 0.0002284800000000, -0.0005930600000000 ] - [ 0.0005853100000000, 0.0017570000000000, -0.0028035400000000 ] - [ 0.0004402500000000, -0.0000777600000000, -0.0002275400000000 ] - [ 0.0006424400000000, -0.0001142500000000, -0.0000509200000000 ] - [ -0.0000592300000000, -0.0008282800000000, -0.0005821000000000 ] - [ -0.0002789000000000, -0.0005298800000000, -0.0000030100000000 ] - [ -0.0002551700000000, -0.0003838200000000, 0.0000451900000000 ] - [ -0.0001436100000000, -0.0004206500000000, -0.0001105700000000 ] - [ 0.0024317900000000, 0.0007659900000000, -0.0001448300000000 ] - [ -0.0002070000000000, -0.0003792700000000, 0.0016493100000000 ] - [ 0.0007919200000000, 0.0003008100000000, 0.0001806600000000 ] - [ 0.0004860700000000, 0.0001584100000000, 0.0002987300000000 ] - [ -0.0004213600000000, -0.0027811400000000, -0.0027843400000000 ] - [ -0.0004446700000000, 0.0003436000000000, 0.0000782600000000 ] - [ -0.0001323800000000, 0.0007894700000000, -0.0000126200000000 ] - [ -0.0004386200000000, 0.0005021100000000, -0.0001034100000000 ] - [ 0.0090382200000000, -0.0348655900000000, 0.0970010700000000 ] - [ 0.0001614100000000, 0.0000509800000000, 0.0003876200000000 ] - [ 0.0002560000000000, 0.0003777700000000, 0.0001974200000000 ] - [ 0.0003854700000000, 0.0001986300000000, 0.0005037500000000 ] - [ -0.0023638200000000, -0.0001424500000000, -0.0029919600000000 ] - [ 0.0041122600000000, 0.0012449800000000, -0.0029984700000000 ] - [ 0.0001573100000000, -0.0005240800000000, 0.0001236800000000 ] - [ 0.0001412800000000, -0.0002437200000000, -0.0000139900000000 ] - [ -0.0002810700000000, -0.0000557900000000, -0.0008379700000000 ] - [ -0.0005700600000000, -0.0001216100000000, -0.0002431900000000 ] - [ -0.0003359900000000, -0.0005992700000000, -0.0001138100000000 ] - [ -0.0004155400000000, 0.0000097400000000, -0.0001527500000000 ] - [ 0.0001021000000000, 0.0002668500000000, -0.0003916700000000 ] - [ -0.0000543100000000, 0.0002369600000000, -0.0003830500000000 ] - [ 0.0000444700000000, 0.0003758100000000, -0.0003845700000000 ] - [ -0.0000886600000000, 0.0004001200000000, -0.0003062000000000 ] - [ -0.0004422300000000, 0.0000781400000000, 0.0001945100000000 ] - [ -0.0014685800000000, 0.0005057600000000, -0.0049068500000000 ] - [ -0.0003067000000000, 0.0000624900000000, 0.0001943200000000 ] - [ -0.0003711000000000, 0.0003345800000000, 0.0002265600000000 ] - [ 0.0005455300000000, -0.0001976500000000, -0.0008358300000000 ] - [ 0.0001207200000000, -0.0001702500000000, -0.0001117000000000 ] - [ 0.0001760900000000, -0.0002810700000000, -0.0001513600000000 ] - [ 0.0002321900000000, -0.0004472200000000, -0.0002393400000000 ] - [ 0.0001215600000000, -0.0000506000000000, 0.0002556000000000 ] - [ 0.0000147200000000, -0.0001894100000000, 0.0004678300000000 ] - [ 0.0001351700000000, -0.0001264900000000, 0.0002049500000000 ] - [ 0.0000143800000000, -0.0001709200000000, 0.0002251800000000 ] - [ -0.0004215400000000, 0.0002112900000000, -0.0000274000000000 ] - [ 0.0005769400000000, 0.0002110900000000, 0.0000294600000000 ] - [ 0.0001023700000000, -0.0000694900000000, 0.0002493900000000 ] - [ 0.0000664600000000, 0.0001346200000000, 0.0000133300000000 ] - [ -0.0001812500000000, 0.0002383100000000, -0.0006447400000000 ] - [ -0.0001624100000000, 0.0000960900000000, -0.0003095400000000 ] - [ -0.0000095400000000, -0.0002195400000000, -0.0003212100000000 ] - [ 0.0000205300000000, 0.0005712000000000, -0.0003799500000000 ] - [ 0.0001668300000000, -0.0001808700000000, 0.0010407900000000 ] - [ 0.0004871100000000, 0.0001108000000000, -0.0001875700000000 ] - [ 0.0004323900000000, 0.0000448200000000, -0.0001641800000000 ] - [ 0.0005392100000000, 0.0000915000000000, -0.0001879500000000 ] - [ 0.0100485400000000, -0.0013734100000000, -0.0049316500000000 ] - [ -0.0002520800000000, 0.0003171300000000, -0.0006522300000000 ] - [ -0.0005077500000000, 0.0001541600000000, -0.0001589300000000 ] - [ -0.0002385700000000, 0.0002377600000000, -0.0003808700000000 ] - [ 0.0001952500000000, -0.0004174100000000, 0.0000987300000000 ] - [ -0.0001482900000000, -0.0003931700000000, 0.0000058600000000 ] - [ -0.0002909400000000, -0.0004648800000000, -0.0000358100000000 ] - [ -0.0004269000000000, -0.0005310100000000, -0.0000751700000000 ] - [ 0.0003439900000000, -0.0000553200000000, -0.0001300500000000 ] - [ 0.0011764800000000, -0.0027757100000000, -0.0075110400000000 ] - [ -0.0002982900000000, -0.0003670400000000, 0.0000860500000000 ] - [ -0.0002430300000000, -0.0004114400000000, 0.0000094400000000 ] - [ 0.0002662900000000, -0.0001962600000000, 0.0004672800000000 ] - [ 0.0005007000000000, 0.0000649900000000, 0.0003882200000000 ] - [ 0.0004244600000000, -0.0000608000000000, 0.0003840300000000 ] - [ 0.0004305400000000, -0.0000588400000000, 0.0003283700000000 ] - [ -0.0000098900000000, 0.0003782400000000, 0.0002091500000000 ] - [ -0.0001217600000000, 0.0007714200000000, 0.0001410300000000 ] - [ -0.0003160500000000, 0.0001547200000000, 0.0002069500000000 ] - [ 0.0000402700000000, 0.0005907200000000, -0.0001100400000000 ] - [ -0.0012134600000000, -0.0015351700000000, 0.0012215500000000 ] - [ 0.0004022300000000, -0.0014603700000000, 0.0018413300000000 ] - [ -0.0010905300000000, 0.0007910600000000, -0.0008443900000000 ] - [ -0.0003757400000000, -0.0005925700000000, 0.0001136400000000 ] - [ -0.0007520300000000, 0.0017342200000000, -0.0003939100000000 ] - [ -0.0237807100000000, 0.0365862000000000, -0.0682045900000000 ] - [ -0.0010692300000000, 0.0011580600000000, -0.0005523700000000 ] - [ -0.0005476700000000, 0.0005322200000000, -0.0002433900000000 ] - [ 0.0007503100000000, 0.0000518200000000, 0.0009460500000000 ] - [ 0.0013403400000000, -0.0006471500000000, 0.0000957200000000 ] - [ 0.0011853500000000, -0.0000083800000000, 0.0003351200000000 ] - [ 0.0013339400000000, 0.0004680400000000, 0.0004732500000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003426400000000, -0.0005192900000000, -0.0001222300000000 ] - [ -0.0002832400000000, -0.0003730000000000, -0.0001017300000000 ] - [ -0.0003375900000000, -0.0004425200000000, -0.0001047500000000 ] - [ -0.0002727600000000, -0.0004251600000000, -0.0001385100000000 ] - [ 0.0015833200000000, 0.0000627900000000, -0.0033223400000000 ] - [ -0.0002671600000000, 0.0005334600000000, -0.0002297600000000 ] - [ -0.0000425200000000, 0.0006036500000000, 0.0000360700000000 ] - [ -0.0002244100000000, 0.0003967200000000, -0.0001845500000000 ] - [ 0.0011639600000000, 0.0000168000000000, 0.0000150900000000 ] - [ 0.0000172000000000, -0.0003144000000000, -0.0005036400000000 ] - [ 0.0006830800000000, 0.0000594400000000, -0.0001743700000000 ] - [ 0.0004794100000000, -0.0000515200000000, -0.0001820500000000 ] - [ -0.0002580100000000, -0.0006595800000000, -0.0000014800000000 ] - [ 0.0015829100000000, -0.0008510200000000, 0.0021515100000000 ] - [ -0.0004921700000000, -0.0006805600000000, -0.0000656700000000 ] - [ -0.0002366600000000, -0.0001829000000000, 0.0002432900000000 ] - [ 0.0006143100000000, 0.0000695100000000, 0.0000858600000000 ] - [ 0.0004475300000000, 0.0000275300000000, 0.0001426600000000 ] - [ 0.0005515200000000, 0.0000604000000000, 0.0001272300000000 ] - [ 0.0005227700000000, 0.0000303000000000, 0.0001128100000000 ] - [ -0.0004484900000000, 0.0006242000000000, 0.0000798900000000 ] - [ -0.0001185500000000, 0.0008680500000000, -0.0007810700000000 ] - [ -0.0002292800000000, 0.0001486200000000, -0.0000726500000000 ] - [ -0.0003760300000000, 0.0007104800000000, 0.0003243300000000 ] - [ 0.0001163900000000, 0.0002981700000000, -0.0000270000000000 ] - [ 0.0002671300000000, 0.0002890600000000, 0.0000790300000000 ] - [ 0.0001843300000000, 0.0002615500000000, -0.0000404200000000 ] - [ 0.0001864800000000, 0.0003116400000000, 0.0000802500000000 ] - [ 0.0002055700000000, -0.0003746300000000, -0.0005235100000000 ] - [ 0.0001695700000000, -0.0001963300000000, 0.0004871800000000 ] - [ 0.0001183900000000, -0.0002495600000000, -0.0000286900000000 ] - [ 0.0002176800000000, -0.0004018900000000, 0.0000094100000000 ] - [ 0.0058874800000000, -0.0000178700000000, 0.0006393400000000 ] - [ 0.0034404900000000, 0.0002481400000000, 0.0002384300000000 ] - [ -0.0004275400000000, 0.0000080800000000, -0.0001000200000000 ] - [ -0.0002537100000000, -0.0000031500000000, 0.0000967100000000 ] - [ 0.0016070800000000, 0.0018087900000000, 0.0002011800000000 ] - [ -0.0000187800000000, 0.0002054800000000, -0.0002799700000000 ] - [ -0.0000028100000000, 0.0004941200000000, 0.0000706000000000 ] - [ 0.0018312900000000, 0.0030578600000000, 0.0003768800000000 ] - [ -0.0002730700000000, -0.0000399200000000, 0.0000596000000000 ] - [ -0.0004027900000000, -0.0000012800000000, -0.0000540200000000 ] - [ -0.0003489900000000, 0.0000280100000000, 0.0000446400000000 ] - [ -0.0003316200000000, -0.0000481800000000, -0.0001135600000000 ] - [ -0.0001324400000000, -0.0001518700000000, 0.0002091200000000 ] - [ 0.0002409700000000, -0.0003433300000000, -0.0003009100000000 ] - [ 0.0004043800000000, -0.0002077500000000, 0.0002029700000000 ] - [ 0.0000465600000000, -0.0003469000000000, 0.0000122600000000 ] - [ -0.0221032300000000, -0.0046755700000000, 0.0031726600000000 ] - [ 0.0006628600000000, -0.0001240000000000, -0.0000327200000000 ] - [ 0.0000743300000000, -0.0003214800000000, 0.0000493300000000 ] - [ 0.0001807500000000, 0.0001539600000000, -0.0000501300000000 ] - [ 0.0001169700000000, 0.0001975600000000, -0.0001514600000000 ] - [ 0.0001174200000000, 0.0001052200000000, 0.0001094200000000 ] - [ 0.0001276600000000, 0.0001134200000000, 0.0000205900000000 ] - [ 0.0000027000000000, 0.0001415400000000, -0.0000128400000000 ] - [ -0.0001282100000000, -0.0000660500000000, 0.0000411900000000 ] - [ -0.0001619300000000, 0.0000562300000000, -0.0000543400000000 ] - [ -0.0002430900000000, 0.0000098000000000, -0.0000155100000000 ] - [ -0.0000661300000000, -0.0000014700000000, 0.0000083700000000 ] - [ 0.0006185400000000, -0.0000663800000000, -0.0001881800000000 ] - [ -0.0000880500000000, 0.0003986800000000, -0.0000684700000000 ] - [ 0.0004743900000000, 0.0001036400000000, -0.0001728900000000 ] - [ 0.0004503500000000, -0.0000183500000000, -0.0002103900000000 ] - [ -0.0002095300000000, 0.0003529800000000, -0.0000631200000000 ] - [ -0.0003264200000000, 0.0003543100000000, -0.0002966600000000 ] - [ -0.0002735000000000, 0.0003455100000000, -0.0001908100000000 ] - [ -0.0002585500000000, 0.0003725200000000, -0.0001773000000000 ] - [ -0.0000134900000000, -0.0010081300000000, -0.0000555800000000 ] - [ 0.0010244700000000, 0.0011589900000000, -0.0013418400000000 ] - [ -0.0004471800000000, -0.0002503600000000, 0.0000383100000000 ] - [ -0.0000159300000000, -0.0004208300000000, -0.0002158900000000 ] - [ -0.0004774100000000, -0.0003938400000000, 0.0004579100000000 ] - [ -0.0000981600000000, -0.0003198500000000, 0.0001733500000000 ] - [ -0.0002137600000000, -0.0004686900000000, 0.0002043500000000 ] - [ -0.0003357700000000, -0.0002152000000000, 0.0001590400000000 ] - [ 0.0024059100000000, 0.0010785800000000, -0.0011875700000000 ] - [ 0.0013191500000000, -0.0005471000000000, 0.0009197300000000 ] - [ 0.0005503700000000, -0.0001182900000000, 0.0001712600000000 ] - [ 0.0000968200000000, 0.0001408600000000, 0.0001453300000000 ] - [ -0.0001885400000000, 0.0003957500000000, 0.0001695100000000 ] - [ -0.0001648700000000, 0.0004154700000000, 0.0001767100000000 ] - [ -0.0001631300000000, 0.0003846400000000, 0.0001315100000000 ] - [ -0.0001726800000000, 0.0004371100000000, 0.0002442300000000 ] - [ 0.0002212000000000, 0.0007064100000000, 0.0022947000000000 ] - [ -0.0003279500000000, -0.0028584400000000, -0.0032054600000000 ] - [ -0.0001877900000000, -0.0010923600000000, 0.0001231000000000 ] - [ -0.0007640900000000, -0.0005877700000000, 0.0001794000000000 ] - [ -0.0006146700000000, 0.0008372100000000, -0.0000592900000000 ] - [ -0.0003514900000000, 0.0008451200000000, 0.0000441000000000 ] - [ -0.0005403300000000, 0.0007652800000000, -0.0000675900000000 ] - [ -0.0004495500000000, 0.0009694300000000, 0.0000821200000000 ] - [ 0.0020977600000000, -0.0011980900000000, -0.0003861700000000 ] - [ 0.0019111400000000, 0.0002132000000000, 0.0012157900000000 ] - [ -0.0007671100000000, -0.0010544800000000, -0.0012049500000000 ] - [ 0.0012512600000000, 0.0004131000000000, 0.0004037100000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002757400000000, -0.0003564500000000, -0.0001127200000000 ] - [ -0.0003352200000000, -0.0005026200000000, -0.0001330300000000 ] - [ -0.0002805400000000, -0.0004328700000000, -0.0001302000000000 ] - [ -0.0003454600000000, -0.0004505200000000, -0.0000960100000000 ] - [ -0.0019931200000000, 0.0008868300000000, 0.0030119200000000 ] - [ -0.0001836900000000, 0.0004403400000000, -0.0000032000000000 ] - [ -0.0004070900000000, 0.0003703900000000, -0.0002691400000000 ] - [ -0.0002250300000000, 0.0005763800000000, -0.0000489100000000 ] - [ -0.0000960000000000, -0.0001217400000000, -0.0002589900000000 ] - [ 0.0010559500000000, 0.0002184800000000, 0.0002706700000000 ] - [ 0.0003886200000000, -0.0001564100000000, -0.0000606900000000 ] - [ 0.0005904700000000, -0.0000473900000000, -0.0000514200000000 ] - [ -0.0001882500000000, -0.0003147000000000, 0.0002347900000000 ] - [ -0.0020378300000000, -0.0001066600000000, -0.0019471900000000 ] - [ 0.0000408900000000, -0.0002930800000000, 0.0002985800000000 ] - [ -0.0002120600000000, -0.0007894600000000, -0.0000081500000000 ] - [ 0.0004541200000000, 0.0000276600000000, 0.0001463800000000 ] - [ 0.0006204300000000, 0.0000697200000000, 0.0000897900000000 ] - [ 0.0005164000000000, 0.0000365900000000, 0.0001054800000000 ] - [ 0.0005451600000000, 0.0000665500000000, 0.0001200500000000 ] - [ -0.0001719600000000, 0.0002551400000000, 0.0001560900000000 ] - [ -0.0004913600000000, 0.0000154000000000, 0.0010027700000000 ] - [ -0.0003912700000000, 0.0007274600000000, 0.0003070000000000 ] - [ -0.0002448500000000, 0.0001674800000000, -0.0000897900000000 ] - [ 0.0002522200000000, 0.0002838100000000, 0.0000699300000000 ] - [ 0.0001020800000000, 0.0002926200000000, -0.0000362200000000 ] - [ 0.0001843800000000, 0.0003203500000000, 0.0000831400000000 ] - [ 0.0001823100000000, 0.0002703700000000, -0.0000373300000000 ] - [ 0.0001617200000000, -0.0002078200000000, 0.0004768400000000 ] - [ 0.0001979100000000, -0.0003865300000000, -0.0005312100000000 ] - [ 0.0002500600000000, -0.0003313100000000, -0.0000136700000000 ] - [ 0.0001507900000000, -0.0001822400000000, -0.0000505800000000 ] - [ -0.0063225300000000, 0.0000786000000000, -0.0005140900000000 ] - [ -0.0043265800000000, -0.0002040500000000, -0.0001437600000000 ] - [ -0.0002600500000000, 0.0000201600000000, 0.0001432200000000 ] - [ -0.0004338300000000, 0.0000298900000000, -0.0000540900000000 ] - [ -0.0012787500000000, -0.0011716100000000, -0.0002516800000000 ] - [ 0.0003375000000000, 0.0004045000000000, 0.0002389100000000 ] - [ 0.0003219000000000, 0.0001161800000000, -0.0001118600000000 ] - [ -0.0015443600000000, -0.0025110300000000, -0.0004436600000000 ] - [ -0.0004144000000000, 0.0000102600000000, -0.0001054000000000 ] - [ -0.0002847500000000, -0.0000278700000000, 0.0000079200000000 ] - [ -0.0003386900000000, -0.0000573800000000, -0.0000908600000000 ] - [ -0.0003559500000000, 0.0000187800000000, 0.0000672400000000 ] - [ 0.0004547600000000, -0.0004600300000000, -0.0001645700000000 ] - [ 0.0000775700000000, -0.0002668900000000, 0.0003470700000000 ] - [ -0.0000854800000000, -0.0004025900000000, -0.0001579000000000 ] - [ 0.0002717700000000, -0.0002636700000000, 0.0000338300000000 ] - [ 0.0221704100000000, 0.0044138900000000, -0.0031362700000000 ] - [ -0.0005159700000000, -0.0001295600000000, 0.0000345300000000 ] - [ 0.0000719000000000, 0.0000677100000000, -0.0000488500000000 ] - [ -0.0000348100000000, -0.0004078900000000, 0.0000497700000000 ] - [ 0.0000294600000000, 0.0000559400000000, 0.0001512000000000 ] - [ 0.0000299200000000, 0.0001490400000000, -0.0001095700000000 ] - [ 0.0000189600000000, 0.0001406200000000, -0.0000205200000000 ] - [ 0.0001439400000000, 0.0001125600000000, 0.0000125900000000 ] - [ -0.0001647100000000, 0.0000655400000000, -0.0000418200000000 ] - [ -0.0001301900000000, -0.0000564600000000, 0.0000531100000000 ] - [ -0.0000507500000000, -0.0000101800000000, 0.0000143100000000 ] - [ -0.0002270000000000, 0.0000014500000000, -0.0000094900000000 ] - [ 0.0002598500000000, 0.0001767000000000, -0.0001763800000000 ] - [ 0.0009670200000000, -0.0002859300000000, -0.0002905100000000 ] - [ 0.0004045700000000, 0.0000072500000000, -0.0001908600000000 ] - [ 0.0004287900000000, 0.0001290800000000, -0.0001536800000000 ] - [ -0.0003257500000000, 0.0003583100000000, -0.0002953800000000 ] - [ -0.0002088800000000, 0.0003572400000000, -0.0000624200000000 ] - [ -0.0002620700000000, 0.0003659200000000, -0.0001684100000000 ] - [ -0.0002770700000000, 0.0003389900000000, -0.0001822500000000 ] - [ -0.0003292100000000, 0.0001854400000000, -0.0003042100000000 ] - [ -0.0013914000000000, -0.0020054600000000, 0.0009984300000000 ] - [ 0.0001007700000000, -0.0005730600000000, -0.0004002300000000 ] - [ -0.0003288400000000, -0.0003991400000000, -0.0001438200000000 ] - [ -0.0000634300000000, -0.0003136200000000, -0.0001007300000000 ] - [ -0.0004403200000000, -0.0003876300000000, 0.0001871500000000 ] - [ -0.0003243700000000, -0.0002398500000000, 0.0001561900000000 ] - [ -0.0002020000000000, -0.0004926400000000, 0.0002016200000000 ] - [ -0.0014813300000000, -0.0011626100000000, 0.0015206900000000 ] - [ -0.0004531400000000, 0.0004491000000000, -0.0005737600000000 ] - [ 0.0003339000000000, 0.0000095000000000, 0.0001877100000000 ] - [ 0.0007871900000000, -0.0002488000000000, 0.0002151300000000 ] - [ -0.0001551200000000, 0.0004204300000000, 0.0001945000000000 ] - [ -0.0001788000000000, 0.0004008400000000, 0.0001869400000000 ] - [ -0.0001804800000000, 0.0004316100000000, 0.0002324800000000 ] - [ -0.0001709700000000, 0.0003793100000000, 0.0001195600000000 ] - [ -0.0011927600000000, -0.0024122400000000, -0.0022918100000000 ] - [ -0.0006565900000000, 0.0011602400000000, 0.0032219800000000 ] - [ -0.0008001300000000, -0.0006185600000000, -0.0001240900000000 ] - [ -0.0002303500000000, -0.0011123900000000, -0.0001802400000000 ] - [ -0.0003740200000000, 0.0008707900000000, 0.0000613000000000 ] - [ -0.0006364800000000, 0.0008617100000000, -0.0000419600000000 ] - [ -0.0004471200000000, 0.0009419900000000, 0.0000693800000000 ] - [ -0.0005378500000000, 0.0007378300000000, -0.0000802600000000 ] - [ -0.0001265200000000, 0.0012020900000000, 0.0003750200000000 ] - [ 0.0000617400000000, -0.0002239300000000, -0.0012145000000000 ] - [ 0.0027371500000000, 0.0010430800000000, 0.0012102000000000 ] - [ 0.0007207100000000, -0.0004132900000000, -0.0004070800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003083400000000, -0.0004133400000000, -0.0002596100000000 ] - [ -0.0003071600000000, -0.0004354900000000, -0.0002418400000000 ] - [ -0.0002739000000000, -0.0004022300000000, -0.0002472200000000 ] - [ -0.0003268900000000, -0.0003968800000000, -0.0002911100000000 ] - [ -0.0029231100000000, 0.0007634500000000, 0.0044630300000000 ] - [ -0.0003317600000000, 0.0004844200000000, -0.0000439400000000 ] - [ -0.0001715300000000, 0.0009029000000000, -0.0000324400000000 ] - [ -0.0001676800000000, 0.0004984300000000, -0.0000627000000000 ] - [ 0.0007590600000000, 0.0027828100000000, 0.0037558000000000 ] - [ 0.0004435800000000, -0.0000435500000000, -0.0000864000000000 ] - [ 0.0002632700000000, 0.0002627900000000, -0.0001509100000000 ] - [ 0.0005635600000000, -0.0001464200000000, 0.0000729400000000 ] - [ -0.0002948800000000, -0.0004144100000000, 0.0003074300000000 ] - [ 0.0022580000000000, -0.0016294700000000, 0.0038374400000000 ] - [ -0.0002673800000000, -0.0005695200000000, 0.0001460500000000 ] - [ -0.0000919000000000, -0.0008760900000000, 0.0000847700000000 ] - [ 0.0005600800000000, 0.0000127800000000, -0.0000573300000000 ] - [ 0.0005556400000000, 0.0000367800000000, -0.0000258000000000 ] - [ 0.0005369100000000, 0.0000488700000000, -0.0000081300000000 ] - [ 0.0005824300000000, 0.0000613000000000, -0.0000134300000000 ] - [ -0.0002714100000000, 0.0004823100000000, 0.0001722200000000 ] - [ -0.0014405700000000, -0.0021609900000000, 0.0048282100000000 ] - [ -0.0003656600000000, 0.0003478100000000, 0.0001918100000000 ] - [ 0.0000784300000000, 0.0002781000000000, 0.0002025800000000 ] - [ 0.0001659500000000, 0.0003867000000000, -0.0002349100000000 ] - [ 0.0000381700000000, 0.0004277100000000, -0.0004521600000000 ] - [ 0.0001538400000000, 0.0003456700000000, -0.0001842500000000 ] - [ 0.0001191400000000, 0.0003561200000000, -0.0002047700000000 ] - [ 0.0000500700000000, -0.0003001000000000, 0.0000078900000000 ] - [ 0.0004693500000000, -0.0001889200000000, -0.0000517700000000 ] - [ 0.0002102700000000, -0.0002713400000000, -0.0000339700000000 ] - [ 0.0001521500000000, 0.0002280600000000, -0.0002722400000000 ] - [ 0.0010570500000000, 0.0002023700000000, 0.0004040400000000 ] - [ -0.0005044400000000, 0.0002703200000000, 0.0006691600000000 ] - [ -0.0002712500000000, 0.0000923900000000, 0.0003432600000000 ] - [ -0.0002858100000000, 0.0004222300000000, 0.0003343400000000 ] - [ 0.0002988700000000, 0.0000383500000000, 0.0006265200000000 ] - [ 0.0002642300000000, 0.0003286900000000, 0.0003008600000000 ] - [ 0.0005405400000000, 0.0001525100000000, 0.0002913400000000 ] - [ 0.0010183100000000, 0.0014211600000000, 0.0003627500000000 ] - [ -0.0002994500000000, -0.0002089800000000, -0.0004969800000000 ] - [ -0.0003116500000000, -0.0000684500000000, -0.0002289800000000 ] - [ -0.0003200400000000, -0.0001036400000000, -0.0002493900000000 ] - [ -0.0002701100000000, -0.0000782900000000, -0.0002790100000000 ] - [ 0.0005957300000000, -0.0005932200000000, -0.0002292200000000 ] - [ 0.0000859600000000, -0.0004155800000000, 0.0000500700000000 ] - [ 0.0003905400000000, -0.0001097500000000, -0.0000094600000000 ] - [ 0.0001892900000000, -0.0002919000000000, 0.0000100600000000 ] - [ 0.0032391200000000, 0.0016747100000000, -0.0238438000000000 ] - [ 0.0000394400000000, -0.0001650300000000, -0.0002735000000000 ] - [ 0.0001222600000000, -0.0000986200000000, -0.0003191700000000 ] - [ 0.0000231000000000, -0.0001367800000000, -0.0002742600000000 ] - [ -0.0000357500000000, 0.0000464900000000, 0.0002711400000000 ] - [ 0.0002244800000000, 0.0001527600000000, 0.0002712000000000 ] - [ 0.0000527900000000, 0.0001254800000000, 0.0001353900000000 ] - [ 0.0000861000000000, 0.0001820500000000, 0.0001409900000000 ] - [ -0.0000920700000000, -0.0000168300000000, 0.0001405800000000 ] - [ -0.0002710200000000, -0.0000550900000000, 0.0002708200000000 ] - [ -0.0000491100000000, 0.0001186900000000, 0.0002707400000000 ] - [ -0.0001580800000000, -0.0000170800000000, 0.0001347500000000 ] - [ 0.0004093400000000, 0.0000177000000000, -0.0000881000000000 ] - [ 0.0004464300000000, 0.0003560800000000, 0.0012651300000000 ] - [ 0.0004019400000000, 0.0000185800000000, -0.0000854700000000 ] - [ 0.0004402700000000, 0.0000915800000000, -0.0000733900000000 ] - [ -0.0002699100000000, 0.0003627500000000, -0.0000241800000000 ] - [ -0.0003569900000000, 0.0003741800000000, -0.0000572200000000 ] - [ -0.0002919900000000, 0.0003735200000000, -0.0000923100000000 ] - [ -0.0002755100000000, 0.0003578100000000, -0.0000466400000000 ] - [ -0.0000605500000000, -0.0005594700000000, -0.0003113600000000 ] - [ -0.0013924200000000, -0.0011567400000000, -0.0002975400000000 ] - [ 0.0002018500000000, 0.0001549300000000, -0.0006710700000000 ] - [ -0.0002241600000000, -0.0004038400000000, -0.0003934300000000 ] - [ -0.0000050100000000, -0.0005008300000000, 0.0016558800000000 ] - [ -0.0003199300000000, -0.0003680500000000, 0.0002763700000000 ] - [ -0.0002372800000000, -0.0003717300000000, 0.0002890500000000 ] - [ -0.0003166000000000, -0.0003612600000000, 0.0002744000000000 ] - [ -0.0008078900000000, -0.0007318700000000, 0.0000652400000000 ] - [ 0.0011158900000000, -0.0000139100000000, -0.0003075000000000 ] - [ 0.0004211900000000, -0.0001023400000000, -0.0000336400000000 ] - [ 0.0003667400000000, 0.0001177500000000, 0.0000485000000000 ] - [ -0.0002002900000000, 0.0003226000000000, 0.0003047000000000 ] - [ -0.0001685900000000, 0.0003781800000000, 0.0002692700000000 ] - [ -0.0001737000000000, 0.0004004700000000, 0.0003152200000000 ] - [ -0.0001671100000000, 0.0004024900000000, 0.0003368500000000 ] - [ 0.0000497300000000, -0.0007044200000000, 0.0002723900000000 ] - [ -0.0036228000000000, -0.0005769800000000, 0.0009543700000000 ] - [ -0.0007229300000000, -0.0009735800000000, -0.0002410800000000 ] - [ 0.0003905500000000, -0.0030492600000000, -0.0001002200000000 ] - [ -0.0003162400000000, 0.0009541100000000, 0.0006925900000000 ] - [ -0.0004845900000000, 0.0008186000000000, 0.0003218400000000 ] - [ -0.0004332300000000, 0.0008886300000000, 0.0003396600000000 ] - [ -0.0005195300000000, 0.0008795600000000, 0.0003212800000000 ] - [ -0.0004717400000000, 0.0018623900000000, -0.0001091500000000 ] - [ 0.0013870700000000, 0.0003891700000000, 0.0002827300000000 ] - [ -0.0003358100000000, -0.0028341000000000, 0.0009494900000000 ] - [ 0.0007670300000000, -0.0001399100000000, -0.0002421800000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002692900000000, -0.0003733100000000, -0.0001428800000000 ] - [ -0.0003424800000000, -0.0007701900000000, -0.0001972800000000 ] - [ -0.0002510100000000, -0.0002675000000000, -0.0002527600000000 ] - [ -0.0003928900000000, -0.0004699700000000, -0.0000907100000000 ] - [ -0.0008362400000000, 0.0003138300000000, 0.0003082200000000 ] - [ 0.0194724600000000, 0.0031405300000000, 0.0137051400000000 ] - [ -0.0001903700000000, 0.0003681400000000, -0.0001130400000000 ] - [ 0.0000886600000000, 0.0007749800000000, -0.0000697500000000 ] - [ 0.0004221400000000, -0.0001070500000000, -0.0001753300000000 ] - [ 0.0005927000000000, -0.0000456000000000, -0.0000807700000000 ] - [ 0.0004630500000000, -0.0000761400000000, -0.0000963200000000 ] - [ 0.0005769000000000, -0.0000210600000000, -0.0001352800000000 ] - [ 0.0038933300000000, -0.0038887100000000, -0.0036025200000000 ] - [ -0.0004369200000000, -0.0009419600000000, -0.0000263300000000 ] - [ -0.0002412600000000, -0.0001883700000000, 0.0001576800000000 ] - [ -0.0003244300000000, -0.0003860700000000, 0.0002429200000000 ] - [ 0.0002964800000000, 0.0000548100000000, -0.0000460100000000 ] - [ 0.0004612500000000, 0.0001751300000000, 0.0002730800000000 ] - [ 0.0005433500000000, 0.0000047600000000, 0.0000325300000000 ] - [ 0.0005524800000000, -0.0000342500000000, 0.0001474800000000 ] - [ -0.0002699200000000, 0.0004652500000000, 0.0001654300000000 ] - [ -0.0003326400000000, 0.0004498800000000, 0.0000861500000000 ] - [ -0.0003418300000000, 0.0004821500000000, 0.0001235800000000 ] - [ -0.0002979900000000, 0.0003839600000000, 0.0000963900000000 ] - [ 0.0002314200000000, 0.0004175400000000, 0.0003063500000000 ] - [ 0.0000737900000000, 0.0003384800000000, -0.0000262200000000 ] - [ 0.0002024400000000, 0.0003081300000000, 0.0000288800000000 ] - [ 0.0001760100000000, 0.0002470400000000, -0.0000792300000000 ] - [ 0.0002126400000000, -0.0002691500000000, 0.0000388100000000 ] - [ 0.0002062900000000, -0.0003000600000000, -0.0001975100000000 ] - [ 0.0002051500000000, -0.0002946800000000, -0.0000381200000000 ] - [ 0.0001583200000000, -0.0002905800000000, -0.0000320300000000 ] - [ -0.0003464500000000, 0.0000609800000000, 0.0001995800000000 ] - [ -0.0004434500000000, -0.0003150100000000, -0.0002132500000000 ] - [ -0.0002979200000000, 0.0000154000000000, 0.0000487800000000 ] - [ -0.0004269600000000, 0.0000615900000000, -0.0000833800000000 ] - [ 0.0000343100000000, 0.0001817200000000, -0.0001284500000000 ] - [ 0.0002747600000000, 0.0000446800000000, -0.0001639000000000 ] - [ 0.0000102500000000, 0.0002898600000000, 0.0002784400000000 ] - [ -0.0001960400000000, 0.0008169100000000, 0.0000267300000000 ] - [ -0.0004956700000000, 0.0000114400000000, 0.0000022900000000 ] - [ -0.0018594700000000, -0.0007196500000000, 0.0013942500000000 ] - [ -0.0002121200000000, -0.0004634500000000, -0.0005888500000000 ] - [ -0.0003307600000000, -0.0000104400000000, 0.0000127200000000 ] - [ 0.0127842500000000, 0.0160981400000000, 0.0065860100000000 ] - [ -0.0002692500000000, 0.0000279900000000, 0.0000782200000000 ] - [ -0.0000576300000000, -0.0003534300000000, 0.0001388200000000 ] - [ 0.0004023100000000, -0.0002385600000000, 0.0000620500000000 ] - [ 0.0002517800000000, -0.0001299100000000, -0.0000303600000000 ] - [ -0.0004542700000000, 0.0000184500000000, 0.0000066200000000 ] - [ 0.0001075200000000, -0.0000137200000000, -0.0000376900000000 ] - [ 0.0000836000000000, -0.0002145300000000, 0.0000004400000000 ] - [ 0.0019892700000000, -0.0010163400000000, 0.0012393200000000 ] - [ 0.0009717100000000, 0.0006406300000000, -0.0006795100000000 ] - [ -0.0002718400000000, 0.0004311900000000, 0.0000744100000000 ] - [ 0.0001808900000000, 0.0001109700000000, 0.0000215600000000 ] - [ -0.0001732900000000, -0.0000177600000000, 0.0000590800000000 ] - [ -0.0001316100000000, -0.0000196600000000, 0.0000044300000000 ] - [ -0.0001436600000000, 0.0000057500000000, 0.0000265400000000 ] - [ -0.0001405900000000, 0.0000341300000000, 0.0000059800000000 ] - [ -0.0411344600000000, -0.0101782700000000, -0.0161346700000000 ] - [ 0.0006461500000000, -0.0000538300000000, -0.0001957400000000 ] - [ 0.0004952900000000, -0.0000939100000000, -0.0002196600000000 ] - [ 0.0004917900000000, 0.0002102700000000, -0.0002603600000000 ] - [ -0.0003626900000000, 0.0003075500000000, -0.0001578800000000 ] - [ -0.0002027400000000, 0.0003882000000000, -0.0001642100000000 ] - [ -0.0002851000000000, 0.0004065500000000, -0.0001537200000000 ] - [ -0.0002285400000000, 0.0003602900000000, -0.0001712900000000 ] - [ -0.0001755900000000, -0.0004127800000000, -0.0003128700000000 ] - [ -0.0001550000000000, -0.0004799700000000, -0.0000888500000000 ] - [ -0.0001295900000000, -0.0004152900000000, -0.0002000300000000 ] - [ -0.0001925600000000, -0.0003913800000000, -0.0001487100000000 ] - [ -0.0002518200000000, -0.0003424200000000, 0.0002027200000000 ] - [ -0.0002593300000000, -0.0003790100000000, 0.0001241900000000 ] - [ -0.0002888100000000, -0.0003208600000000, 0.0001983300000000 ] - [ -0.0002617600000000, -0.0003635800000000, 0.0001920300000000 ] - [ 0.0011286200000000, 0.0000725300000000, -0.0002641100000000 ] - [ 0.0011304900000000, 0.0016624200000000, 0.0007605000000000 ] - [ 0.0003250500000000, -0.0000096400000000, 0.0000618000000000 ] - [ 0.0005759300000000, -0.0001741900000000, 0.0001111100000000 ] - [ -0.0001724300000000, 0.0004151500000000, 0.0001852900000000 ] - [ 0.0000514700000000, 0.0006545000000000, 0.0003448800000000 ] - [ 0.0001018400000000, 0.0006812100000000, 0.0013663000000000 ] - [ -0.0001756800000000, 0.0003596900000000, 0.0001091700000000 ] - [ -0.0006342800000000, -0.0010246800000000, -0.0001895900000000 ] - [ -0.0004151500000000, -0.0005149300000000, 0.0002488600000000 ] - [ -0.0005729100000000, -0.0008726700000000, 0.0000042700000000 ] - [ -0.0003801200000000, -0.0008726500000000, 0.0000708200000000 ] - [ -0.0001036900000000, 0.0008626500000000, -0.0000633000000000 ] - [ -0.0003281400000000, -0.0002499600000000, -0.0005954800000000 ] - [ -0.0007291100000000, 0.0011927700000000, 0.0005745100000000 ] - [ -0.0005716600000000, 0.0007812900000000, -0.0000311300000000 ] - [ 0.0048050200000000, 0.0011287800000000, -0.0034821300000000 ] - [ 0.0042278300000000, -0.0049837300000000, -0.0004313100000000 ] - [ 0.0010791200000000, 0.0005472300000000, 0.0001997600000000 ] - [ -0.0021886800000000, -0.0024346200000000, -0.0001409700000000 ]- atom: 61 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003492100000000, -0.0005024200000000, -0.0000918500000000 ] - [ -0.0002758000000000, -0.0001064700000000, -0.0000389300000000 ] - [ -0.0003696300000000, -0.0006047900000000, 0.0000198500000000 ] - [ -0.0002277500000000, -0.0004053200000000, -0.0001443000000000 ] - [ 0.0003832100000000, 0.0006646200000000, -0.0005389600000000 ] - [ -0.0188726900000000, -0.0021693700000000, -0.0131501700000000 ] - [ -0.0002608400000000, 0.0006057700000000, -0.0001210800000000 ] - [ -0.0005399000000000, 0.0001909400000000, -0.0001645800000000 ] - [ 0.0006482000000000, 0.0000099300000000, -0.0000587800000000 ] - [ 0.0004776900000000, -0.0000522600000000, -0.0001527900000000 ] - [ 0.0006068100000000, -0.0000210500000000, -0.0001378900000000 ] - [ 0.0004921600000000, -0.0000763500000000, -0.0000989600000000 ] - [ -0.0043805100000000, 0.0030351800000000, 0.0039180700000000 ] - [ -0.0000140500000000, -0.0000285000000000, 0.0002616700000000 ] - [ -0.0002108000000000, -0.0007932700000000, 0.0000771600000000 ] - [ -0.0001346200000000, -0.0005960100000000, -0.0000041900000000 ] - [ 0.0007734700000000, 0.0000418100000000, 0.0002787900000000 ] - [ 0.0005987600000000, -0.0000750800000000, -0.0000368000000000 ] - [ 0.0005234700000000, 0.0000923800000000, 0.0001998800000000 ] - [ 0.0005149100000000, 0.0001294900000000, 0.0000849400000000 ] - [ -0.0003514500000000, 0.0004141300000000, 0.0000721700000000 ] - [ -0.0002881100000000, 0.0004283500000000, 0.0001512200000000 ] - [ -0.0002785100000000, 0.0003956900000000, 0.0001134400000000 ] - [ -0.0003227100000000, 0.0004942100000000, 0.0001412900000000 ] - [ 0.0001379500000000, 0.0001649100000000, -0.0002469100000000 ] - [ 0.0002941600000000, 0.0002430600000000, 0.0000692200000000 ] - [ 0.0001656600000000, 0.0002737400000000, 0.0000142700000000 ] - [ 0.0001916600000000, 0.0003343500000000, 0.0001225800000000 ] - [ 0.0001546800000000, -0.0003128000000000, -0.0000797900000000 ] - [ 0.0001597900000000, -0.0002821600000000, 0.0001578300000000 ] - [ 0.0001614700000000, -0.0002865700000000, -0.0000029900000000 ] - [ 0.0002081700000000, -0.0002910800000000, -0.0000087900000000 ] - [ -0.0003423700000000, -0.0000317600000000, -0.0001563000000000 ] - [ -0.0002454500000000, 0.0003447500000000, 0.0002566200000000 ] - [ -0.0003909500000000, 0.0000132700000000, -0.0000046200000000 ] - [ -0.0002610000000000, -0.0000343400000000, 0.0001293000000000 ] - [ 0.0002841600000000, 0.0004300800000000, 0.0000879100000000 ] - [ 0.0000498600000000, 0.0005657300000000, 0.0001247600000000 ] - [ 0.0003093700000000, 0.0003146400000000, -0.0003104400000000 ] - [ 0.0005191500000000, -0.0002134500000000, -0.0000703300000000 ] - [ -0.0001922200000000, -0.0000412500000000, -0.0000497600000000 ] - [ 0.0011555600000000, 0.0006792700000000, -0.0013948900000000 ] - [ -0.0004758900000000, 0.0004340900000000, 0.0005415600000000 ] - [ -0.0003575700000000, -0.0000195400000000, -0.0000604700000000 ] - [ -0.0128649800000000, -0.0173352100000000, -0.0067894600000000 ] - [ 0.0005923000000000, -0.0006422600000000, -0.0000386600000000 ] - [ 0.0003779500000000, -0.0002560800000000, -0.0000959200000000 ] - [ -0.0000812600000000, -0.0003726500000000, -0.0000193200000000 ] - [ -0.0001074100000000, -0.0001243300000000, 0.0000300000000000 ] - [ 0.0006013600000000, -0.0002729300000000, -0.0000051100000000 ] - [ 0.0000372600000000, -0.0002398000000000, 0.0000374900000000 ] - [ 0.0000618300000000, -0.0000381600000000, -0.0000006200000000 ] - [ -0.0018981800000000, 0.0012983500000000, -0.0012678300000000 ] - [ -0.0008009000000000, -0.0003774600000000, 0.0006711500000000 ] - [ 0.0004183200000000, -0.0001823800000000, -0.0000742400000000 ] - [ -0.0000353200000000, 0.0001443500000000, -0.0000199800000000 ] - [ -0.0001217400000000, 0.0000168500000000, -0.0000613600000000 ] - [ -0.0001619100000000, 0.0000193900000000, -0.0000068000000000 ] - [ -0.0001504300000000, -0.0000057200000000, -0.0000282600000000 ] - [ -0.0001528200000000, -0.0000328800000000, -0.0000082300000000 ] - [ 0.0415416700000000, 0.0107619500000000, 0.0150926300000000 ] - [ 0.0002304700000000, 0.0001649100000000, -0.0001674000000000 ] - [ 0.0003817700000000, 0.0002062600000000, -0.0001428100000000 ] - [ 0.0003857200000000, -0.0000982500000000, -0.0001023800000000 ] - [ -0.0001755300000000, 0.0004047500000000, -0.0002024900000000 ] - [ -0.0003326700000000, 0.0003240500000000, -0.0001960600000000 ] - [ -0.0002517900000000, 0.0003042500000000, -0.0002060300000000 ] - [ -0.0003076900000000, 0.0003514800000000, -0.0001887900000000 ] - [ -0.0001695400000000, -0.0004075400000000, -0.0000497900000000 ] - [ -0.0001905300000000, -0.0003398300000000, -0.0002735000000000 ] - [ -0.0002139900000000, -0.0004054400000000, -0.0001615900000000 ] - [ -0.0001518700000000, -0.0004278900000000, -0.0002104100000000 ] - [ -0.0002879100000000, -0.0003657000000000, 0.0001573100000000 ] - [ -0.0002786400000000, -0.0003289900000000, 0.0002338300000000 ] - [ -0.0002507400000000, -0.0003870100000000, 0.0001615700000000 ] - [ -0.0002775600000000, -0.0003441300000000, 0.0001679100000000 ] - [ -0.0002509800000000, -0.0001821800000000, 0.0006217300000000 ] - [ -0.0002492100000000, -0.0017770700000000, -0.0004030800000000 ] - [ 0.0005581700000000, -0.0000991300000000, 0.0002982300000000 ] - [ 0.0003072100000000, 0.0000676000000000, 0.0002482600000000 ] - [ -0.0001722400000000, 0.0004011500000000, 0.0001795100000000 ] - [ -0.0003956300000000, 0.0001674800000000, 0.0000203800000000 ] - [ -0.0004504300000000, 0.0001334200000000, -0.0010007900000000 ] - [ -0.0001668700000000, 0.0004578600000000, 0.0002562300000000 ] - [ -0.0003539100000000, -0.0006830100000000, 0.0001876300000000 ] - [ -0.0005718900000000, -0.0011932800000000, -0.0002530100000000 ] - [ -0.0004129000000000, -0.0008365800000000, -0.0000058600000000 ] - [ -0.0006076500000000, -0.0008361500000000, -0.0000734200000000 ] - [ -0.0008879200000000, 0.0008473500000000, 0.0000672300000000 ] - [ -0.0006550200000000, 0.0019398800000000, 0.0005876300000000 ] - [ -0.0002602300000000, 0.0005174700000000, -0.0005722000000000 ] - [ -0.0004197900000000, 0.0009282300000000, 0.0000345600000000 ] - [ -0.0028639500000000, -0.0011468500000000, 0.0034868300000000 ] - [ -0.0022476300000000, 0.0050268000000000, 0.0004494400000000 ] - [ 0.0008918800000000, -0.0005522600000000, -0.0002026200000000 ] - [ 0.0041754200000000, 0.0024508100000000, 0.0001405400000000 ]- atom: 61 displacement: [ -0.0049999999981634, 0.0086602540389047, 0.0000000000000000 ] forces: - [ -0.0002818600000000, -0.0005075900000000, -0.0001046100000000 ] - [ -0.0003548900000000, -0.0005646000000000, -0.0001442900000000 ] - [ -0.0003238400000000, -0.0004473600000000, -0.0002000600000000 ] - [ -0.0002412900000000, -0.0004287100000000, -0.0002042600000000 ] - [ 0.0000387300000000, 0.0009256900000000, 0.0000176300000000 ] - [ -0.0060131700000000, -0.0010281600000000, -0.0038336300000000 ] - [ -0.0001435500000000, 0.0003447500000000, -0.0000379100000000 ] - [ -0.0005972700000000, -0.0008333300000000, -0.0001986600000000 ] - [ 0.0006446000000000, 0.0000112900000000, -0.0000718800000000 ] - [ 0.0005210900000000, -0.0000981800000000, -0.0001751600000000 ] - [ 0.0005419800000000, -0.0000123400000000, -0.0001270100000000 ] - [ 0.0005003900000000, -0.0000650500000000, -0.0000937000000000 ] - [ -0.0099762500000000, 0.0091162000000000, 0.0072090000000000 ] - [ -0.0000025400000000, 0.0000521100000000, 0.0002670000000000 ] - [ -0.0001358000000000, -0.0009771300000000, 0.0001591600000000 ] - [ -0.0004494000000000, -0.0007526300000000, 0.0003939200000000 ] - [ 0.0005291800000000, 0.0001447900000000, 0.0000468300000000 ] - [ 0.0006686600000000, 0.0000953700000000, 0.0001543700000000 ] - [ 0.0005101200000000, 0.0000450700000000, 0.0001011900000000 ] - [ 0.0005731500000000, 0.0000069600000000, 0.0001234300000000 ] - [ -0.0003292100000000, 0.0005035000000000, 0.0001476700000000 ] - [ -0.0002850700000000, 0.0004149500000000, 0.0001469200000000 ] - [ -0.0002532100000000, 0.0003975900000000, 0.0001021400000000 ] - [ -0.0003467600000000, 0.0004888200000000, 0.0000902600000000 ] - [ 0.0001529900000000, 0.0004704400000000, 0.0000931400000000 ] - [ 0.0001445600000000, 0.0003232900000000, -0.0000027000000000 ] - [ 0.0002029900000000, 0.0002543100000000, 0.0000268300000000 ] - [ 0.0001958900000000, 0.0002640600000000, 0.0000399700000000 ] - [ 0.0001977200000000, -0.0002993800000000, -0.0001550400000000 ] - [ 0.0001467000000000, -0.0002654900000000, 0.0001905600000000 ] - [ 0.0001684800000000, -0.0002727000000000, -0.0000071700000000 ] - [ 0.0001872400000000, -0.0003060500000000, -0.0000113700000000 ] - [ -0.0002263200000000, 0.0000295800000000, -0.0003473300000000 ] - [ -0.0002805600000000, 0.0003296700000000, 0.0002776000000000 ] - [ -0.0003637400000000, 0.0000182400000000, -0.0000024900000000 ] - [ -0.0002951100000000, -0.0000924500000000, 0.0001386800000000 ] - [ 0.0006869300000000, 0.0004058300000000, 0.0001431000000000 ] - [ -0.0005215400000000, 0.0001277100000000, -0.0001678600000000 ] - [ 0.0002169900000000, 0.0003969300000000, 0.0000301300000000 ] - [ 0.0007373400000000, -0.0003412300000000, 0.0001900600000000 ] - [ -0.0002744000000000, 0.0000080300000000, -0.0000195800000000 ] - [ -0.0006953300000000, 0.0034733300000000, -0.0027370500000000 ] - [ -0.0003590900000000, -0.0001986900000000, -0.0000712400000000 ] - [ -0.0002931100000000, -0.0000529400000000, -0.0000857400000000 ] - [ 0.0032716800000000, 0.0029363200000000, 0.0036941800000000 ] - [ 0.0007253700000000, -0.0006462000000000, -0.0002735400000000 ] - [ 0.0004906900000000, -0.0003348500000000, -0.0000651000000000 ] - [ -0.0004083400000000, -0.0008365200000000, -0.0000019500000000 ] - [ -0.0001216400000000, -0.0001917200000000, -0.0000167500000000 ] - [ 0.0006326300000000, -0.0005292900000000, 0.0002577900000000 ] - [ 0.0000971100000000, -0.0000765800000000, -0.0000125700000000 ] - [ 0.0000046800000000, 0.0000588700000000, 0.0000312100000000 ] - [ -0.0018870900000000, 0.0004081900000000, -0.0012274300000000 ] - [ 0.0000626200000000, -0.0001944100000000, 0.0003711200000000 ] - [ 0.0000770800000000, 0.0003089400000000, 0.0001094700000000 ] - [ 0.0000743500000000, 0.0003074600000000, -0.0000522000000000 ] - [ -0.0001602600000000, -0.0000271300000000, 0.0000278700000000 ] - [ -0.0001363500000000, 0.0000164200000000, 0.0000016000000000 ] - [ -0.0001650800000000, -0.0000029700000000, -0.0000037100000000 ] - [ -0.0001188800000000, 0.0000145800000000, -0.0000053400000000 ] - [ 0.0121894300000000, -0.0177155900000000, -0.0011189000000000 ] - [ 0.0002380500000000, 0.0001284000000000, -0.0002155800000000 ] - [ 0.0002837400000000, 0.0003264100000000, -0.0001488200000000 ] - [ 0.0005454200000000, 0.0002641000000000, -0.0002269000000000 ] - [ -0.0003053000000000, 0.0003301400000000, -0.0001449100000000 ] - [ -0.0002716100000000, 0.0003294300000000, -0.0002068200000000 ] - [ -0.0002695400000000, 0.0003752200000000, -0.0001685900000000 ] - [ -0.0002450000000000, 0.0004160600000000, -0.0001829300000000 ] - [ -0.0001306100000000, -0.0005368400000000, -0.0002261800000000 ] - [ -0.0001878400000000, -0.0003599600000000, -0.0002918800000000 ] - [ -0.0002357200000000, -0.0003464400000000, -0.0000825300000000 ] - [ -0.0001475200000000, -0.0003551600000000, -0.0000905800000000 ] - [ -0.0002979000000000, -0.0003807100000000, 0.0001946800000000 ] - [ -0.0001969800000000, -0.0003647400000000, 0.0001247500000000 ] - [ -0.0002609600000000, -0.0003593800000000, 0.0001860100000000 ] - [ -0.0002763600000000, -0.0003349000000000, 0.0001726000000000 ] - [ -0.0013914500000000, -0.0009337100000000, 0.0009675300000000 ] - [ -0.0000135500000000, -0.0017281300000000, -0.0004813800000000 ] - [ 0.0004622500000000, -0.0001553900000000, 0.0002338700000000 ] - [ 0.0004787600000000, 0.0003270100000000, 0.0003530500000000 ] - [ -0.0002007500000000, 0.0003912500000000, 0.0001743500000000 ] - [ -0.0001854600000000, 0.0007181400000000, 0.0000491600000000 ] - [ -0.0001844200000000, 0.0006579100000000, 0.0009359600000000 ] - [ -0.0002244300000000, 0.0003733800000000, 0.0002712700000000 ] - [ -0.0004437100000000, -0.0005645200000000, 0.0003148200000000 ] - [ -0.0005661200000000, -0.0012289100000000, -0.0002294500000000 ] - [ -0.0004104000000000, -0.0009471300000000, 0.0000129600000000 ] - [ -0.0005262600000000, -0.0008220900000000, -0.0000092500000000 ] - [ -0.0004696500000000, 0.0007892200000000, -0.0000259900000000 ] - [ 0.0001924700000000, -0.0009269300000000, -0.0014544200000000 ] - [ -0.0005465700000000, 0.0009031800000000, 0.0001084600000000 ] - [ -0.0005615900000000, 0.0009406000000000, 0.0000674900000000 ] - [ 0.0018778000000000, -0.0003103600000000, -0.0025857600000000 ] - [ -0.0011765100000000, 0.0035315700000000, -0.0000419000000000 ] - [ 0.0005673200000000, -0.0004034100000000, -0.0004917700000000 ] - [ 0.0059299900000000, 0.0056566800000000, 0.0001320400000000 ]- atom: 61 displacement: [ 0.0049999999981634, -0.0086602540389047, 0.0000000000000000 ] forces: - [ -0.0003375800000000, -0.0003664400000000, -0.0001298800000000 ] - [ -0.0002629000000000, -0.0003080300000000, -0.0000909000000000 ] - [ -0.0002955500000000, -0.0004310400000000, -0.0000350000000000 ] - [ -0.0003773100000000, -0.0004452000000000, -0.0000300400000000 ] - [ -0.0004864300000000, 0.0000419800000000, -0.0002538700000000 ] - [ 0.0057017200000000, 0.0020251000000000, 0.0036813900000000 ] - [ -0.0003079100000000, 0.0006312700000000, -0.0001964400000000 ] - [ 0.0001494200000000, 0.0018297100000000, -0.0000298300000000 ] - [ 0.0004251200000000, -0.0001078500000000, -0.0001639800000000 ] - [ 0.0005485500000000, 0.0000022400000000, -0.0000608000000000 ] - [ 0.0005281500000000, -0.0000839000000000, -0.0001080700000000 ] - [ 0.0005695300000000, -0.0000311900000000, -0.0001417700000000 ] - [ 0.0091249600000000, -0.0093836600000000, -0.0064910100000000 ] - [ -0.0004470500000000, -0.0010255900000000, -0.0000329100000000 ] - [ -0.0003111700000000, 0.0000072200000000, 0.0000763000000000 ] - [ 0.0000041300000000, -0.0002126800000000, -0.0001646300000000 ] - [ 0.0005398000000000, -0.0000477600000000, 0.0001877000000000 ] - [ 0.0004038100000000, 0.0000013400000000, 0.0000737600000000 ] - [ 0.0005562900000000, 0.0000525800000000, 0.0001320500000000 ] - [ 0.0004935700000000, 0.0000909200000000, 0.0001088500000000 ] - [ -0.0002911100000000, 0.0003753500000000, 0.0000879900000000 ] - [ -0.0003357000000000, 0.0004647000000000, 0.0000887600000000 ] - [ -0.0003677000000000, 0.0004818600000000, 0.0001337800000000 ] - [ -0.0002734100000000, 0.0003901400000000, 0.0001461800000000 ] - [ 0.0002161600000000, 0.0001110500000000, -0.0000558600000000 ] - [ 0.0002248000000000, 0.0002592900000000, 0.0000463300000000 ] - [ 0.0001649100000000, 0.0003290200000000, 0.0000162900000000 ] - [ 0.0001722400000000, 0.0003193400000000, 0.0000033300000000 ] - [ 0.0001690500000000, -0.0002807600000000, 0.0001127500000000 ] - [ 0.0002207300000000, -0.0003144900000000, -0.0002348300000000 ] - [ 0.0001992700000000, -0.0003071800000000, -0.0000362600000000 ] - [ 0.0001801900000000, -0.0002737100000000, -0.0000312600000000 ] - [ -0.0004628200000000, -0.0000000600000000, 0.0003884400000000 ] - [ -0.0004084900000000, -0.0003027200000000, -0.0002369600000000 ] - [ -0.0003253900000000, 0.0000114000000000, 0.0000441100000000 ] - [ -0.0003937500000000, 0.0001224200000000, -0.0000967200000000 ] - [ -0.0003706100000000, 0.0002042800000000, -0.0001867500000000 ] - [ 0.0008507200000000, 0.0004872900000000, 0.0001340800000000 ] - [ 0.0000967700000000, 0.0002141600000000, -0.0000719900000000 ] - [ -0.0004258900000000, 0.0009558900000000, -0.0002391800000000 ] - [ -0.0004141500000000, -0.0000362700000000, -0.0000262300000000 ] - [ 0.0000319400000000, -0.0035195800000000, 0.0026436000000000 ] - [ -0.0003294400000000, 0.0001702700000000, 0.0000252700000000 ] - [ -0.0003956300000000, 0.0000250400000000, 0.0000398400000000 ] - [ -0.0029215100000000, -0.0034561700000000, -0.0036893500000000 ] - [ -0.0004105600000000, 0.0000383700000000, 0.0003237200000000 ] - [ -0.0001744600000000, -0.0002738800000000, 0.0001117700000000 ] - [ 0.0007335800000000, 0.0002314600000000, 0.0000424200000000 ] - [ 0.0002675700000000, -0.0000604500000000, 0.0000182100000000 ] - [ -0.0004890900000000, 0.0002783200000000, -0.0002584900000000 ] - [ 0.0000480100000000, -0.0001767800000000, 0.0000137400000000 ] - [ 0.0001422700000000, -0.0003123900000000, -0.0000311500000000 ] - [ 0.0019964300000000, -0.0001379900000000, 0.0012052400000000 ] - [ 0.0000852100000000, 0.0004529600000000, -0.0003745900000000 ] - [ 0.0000686400000000, -0.0000590000000000, -0.0001135200000000 ] - [ 0.0000708400000000, -0.0000539100000000, 0.0000522500000000 ] - [ -0.0001328500000000, 0.0000285900000000, -0.0000289800000000 ] - [ -0.0001576700000000, -0.0000150500000000, -0.0000021900000000 ] - [ -0.0001284900000000, 0.0000042100000000, 0.0000026600000000 ] - [ -0.0001750300000000, -0.0000138600000000, 0.0000043300000000 ] - [ -0.0110146000000000, 0.0168306200000000, 0.0002908800000000 ] - [ 0.0006398200000000, -0.0000156200000000, -0.0001491700000000 ] - [ 0.0005962300000000, -0.0002155700000000, -0.0002151800000000 ] - [ 0.0003314300000000, -0.0001537800000000, -0.0001381200000000 ] - [ -0.0002298000000000, 0.0003830000000000, -0.0002139900000000 ] - [ -0.0002650200000000, 0.0003824000000000, -0.0001541600000000 ] - [ -0.0002664900000000, 0.0003381000000000, -0.0001911600000000 ] - [ -0.0002913600000000, 0.0002941100000000, -0.0001760000000000 ] - [ -0.0002142100000000, -0.0002815200000000, -0.0001344400000000 ] - [ -0.0001573800000000, -0.0004589300000000, -0.0000680500000000 ] - [ -0.0001070600000000, -0.0004735300000000, -0.0002788300000000 ] - [ -0.0001965600000000, -0.0004639600000000, -0.0002692200000000 ] - [ -0.0002407800000000, -0.0003258600000000, 0.0001657500000000 ] - [ -0.0003428300000000, -0.0003418600000000, 0.0002367900000000 ] - [ -0.0002780400000000, -0.0003474000000000, 0.0001743300000000 ] - [ -0.0002625000000000, -0.0003717900000000, 0.0001880200000000 ] - [ 0.0022752900000000, 0.0008318700000000, -0.0006108400000000 ] - [ 0.0008952100000000, 0.0016299300000000, 0.0008419500000000 ] - [ 0.0004216400000000, 0.0000519800000000, 0.0001245500000000 ] - [ 0.0004021300000000, -0.0004386400000000, 0.0000033400000000 ] - [ -0.0001437100000000, 0.0004266800000000, 0.0001889500000000 ] - [ -0.0001605500000000, 0.0000970400000000, 0.0003121300000000 ] - [ -0.0001591900000000, 0.0001584100000000, -0.0005771100000000 ] - [ -0.0001220500000000, 0.0004448700000000, 0.0000923000000000 ] - [ -0.0005419100000000, -0.0011429400000000, -0.0003148800000000 ] - [ -0.0004211300000000, -0.0004758400000000, 0.0002306500000000 ] - [ -0.0005769900000000, -0.0007591100000000, -0.0000121000000000 ] - [ -0.0004608200000000, -0.0008859400000000, 0.0000089600000000 ] - [ -0.0005208400000000, 0.0009190900000000, 0.0000275000000000 ] - [ -0.0011799200000000, 0.0026407500000000, 0.0014521700000000 ] - [ -0.0004417200000000, 0.0008036500000000, -0.0001076700000000 ] - [ -0.0004264700000000, 0.0007683900000000, -0.0000664700000000 ] - [ 0.0000974500000000, 0.0003128500000000, 0.0026221500000000 ] - [ 0.0031689500000000, -0.0035221000000000, 0.0000502000000000 ] - [ 0.0014070700000000, 0.0004040400000000, 0.0004902800000000 ] - [ -0.0039879900000000, -0.0056435600000000, -0.0001251800000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0004469600000000, -0.0003712500000000, -0.0001072500000000 ] - [ -0.0002152400000000, 0.0000654300000000, 0.0000021300000000 ] - [ -0.0004238200000000, -0.0008639100000000, -0.0004761100000000 ] - [ -0.0002196600000000, -0.0004174700000000, -0.0001131900000000 ] - [ -0.0001438700000000, 0.0006865000000000, 0.0001141800000000 ] - [ 0.0117269000000000, 0.0029969700000000, 0.0078421000000000 ] - [ -0.0002484300000000, 0.0004388800000000, -0.0000802400000000 ] - [ -0.0004813000000000, -0.0002777600000000, -0.0001352400000000 ] - [ 0.0005457800000000, -0.0000360000000000, -0.0002368800000000 ] - [ 0.0004933100000000, -0.0000401500000000, -0.0003770700000000 ] - [ 0.0005250000000000, -0.0000492800000000, -0.0002053700000000 ] - [ 0.0005170000000000, -0.0000606300000000, -0.0001922500000000 ] - [ -0.0075012300000000, 0.0047922300000000, 0.0030055500000000 ] - [ -0.0003090300000000, -0.0007963700000000, 0.0001399600000000 ] - [ -0.0002714000000000, -0.0003812800000000, 0.0001626100000000 ] - [ 0.0001039100000000, -0.0001797800000000, 0.0001597800000000 ] - [ 0.0004544600000000, 0.0000977700000000, 0.0001264700000000 ] - [ 0.0009076500000000, -0.0001366800000000, -0.0003763300000000 ] - [ 0.0005261600000000, 0.0000156700000000, 0.0001631000000000 ] - [ 0.0005503800000000, 0.0003843800000000, 0.0001342600000000 ] - [ -0.0003386900000000, 0.0004534500000000, -0.0000611100000000 ] - [ -0.0002976900000000, 0.0004482700000000, 0.0000516100000000 ] - [ -0.0003251500000000, 0.0004490400000000, 0.0000290300000000 ] - [ -0.0003269200000000, 0.0004636400000000, 0.0000056300000000 ] - [ 0.0002107700000000, -0.0000756200000000, -0.0012183100000000 ] - [ 0.0002486900000000, 0.0003189300000000, 0.0000279000000000 ] - [ 0.0001166100000000, 0.0003417300000000, 0.0000045000000000 ] - [ 0.0001837500000000, 0.0003623600000000, 0.0000281100000000 ] - [ 0.0002077800000000, -0.0002145900000000, -0.0002315900000000 ] - [ 0.0002657700000000, -0.0001718300000000, -0.0003093800000000 ] - [ 0.0002138500000000, -0.0002608700000000, -0.0002256600000000 ] - [ 0.0002314200000000, -0.0002426200000000, -0.0001699800000000 ] - [ -0.0003278900000000, -0.0001084100000000, -0.0002600600000000 ] - [ -0.0003868500000000, -0.0001302000000000, -0.0000849300000000 ] - [ -0.0003818000000000, -0.0000630800000000, -0.0001657200000000 ] - [ -0.0003659400000000, -0.0000741400000000, -0.0001222600000000 ] - [ 0.0002610300000000, 0.0002856000000000, -0.0000477700000000 ] - [ -0.0003205700000000, -0.0000625400000000, -0.0000477900000000 ] - [ 0.0004602900000000, 0.0005128100000000, 0.0000231700000000 ] - [ 0.0004041800000000, 0.0001675000000000, 0.0002689800000000 ] - [ -0.0003868900000000, 0.0000526900000000, 0.0000728300000000 ] - [ 0.0002022000000000, -0.0069338000000000, 0.0070162800000000 ] - [ -0.0004425300000000, 0.0002546500000000, 0.0002892300000000 ] - [ -0.0004042900000000, 0.0000777700000000, 0.0001494300000000 ] - [ 0.0074631500000000, 0.0086555300000000, 0.0048013900000000 ] - [ 0.0001979600000000, -0.0002168500000000, 0.0000026500000000 ] - [ 0.0000409500000000, -0.0003569800000000, 0.0002253600000000 ] - [ -0.0000581400000000, -0.0001404500000000, 0.0004994300000000 ] - [ 0.0000670300000000, -0.0001484200000000, 0.0000949000000000 ] - [ 0.0001864700000000, 0.0001363100000000, 0.0014802100000000 ] - [ 0.0000817800000000, -0.0001404700000000, 0.0000971200000000 ] - [ 0.0000449300000000, -0.0000825300000000, 0.0001097300000000 ] - [ 0.0014220100000000, -0.0004408000000000, -0.0001145900000000 ] - [ -0.0006714900000000, -0.0000506200000000, -0.0004882200000000 ] - [ 0.0001080600000000, 0.0002896300000000, -0.0001311000000000 ] - [ 0.0000818800000000, 0.0000906700000000, -0.0002124600000000 ] - [ -0.0000417100000000, 0.0000746600000000, 0.0001227800000000 ] - [ -0.0001995700000000, 0.0000275200000000, 0.0001332000000000 ] - [ -0.0001406800000000, 0.0000093100000000, 0.0000871400000000 ] - [ -0.0002003600000000, -0.0001034000000000, 0.0001552800000000 ] - [ -0.0153120200000000, -0.0099612700000000, -0.0256340500000000 ] - [ 0.0004266800000000, 0.0000091500000000, -0.0003640900000000 ] - [ 0.0004012500000000, 0.0000734400000000, -0.0003416600000000 ] - [ 0.0003606000000000, -0.0000402100000000, -0.0002255800000000 ] - [ -0.0000898700000000, 0.0003064200000000, -0.0000491200000000 ] - [ -0.0003880500000000, 0.0003208000000000, -0.0000629700000000 ] - [ -0.0002482100000000, 0.0004732500000000, -0.0001393700000000 ] - [ -0.0003466400000000, 0.0002862200000000, -0.0000855800000000 ] - [ -0.0001381700000000, -0.0004558000000000, -0.0000488800000000 ] - [ -0.0001610300000000, -0.0004467800000000, -0.0001405100000000 ] - [ -0.0001754300000000, -0.0004185900000000, -0.0000866100000000 ] - [ -0.0001987500000000, -0.0004128200000000, -0.0000611800000000 ] - [ -0.0002448000000000, -0.0003470700000000, 0.0002358700000000 ] - [ -0.0003795600000000, -0.0003536600000000, 0.0005679200000000 ] - [ -0.0002317900000000, -0.0003496000000000, 0.0002360400000000 ] - [ -0.0002646300000000, -0.0003428000000000, 0.0002526300000000 ] - [ -0.0001391300000000, -0.0004805400000000, 0.0005153900000000 ] - [ 0.0008851400000000, 0.0005984800000000, 0.0005156200000000 ] - [ 0.0005612200000000, -0.0000598900000000, 0.0002494100000000 ] - [ 0.0005114400000000, 0.0001100200000000, 0.0003627900000000 ] - [ -0.0001647800000000, 0.0004089200000000, 0.0000516500000000 ] - [ -0.0009256100000000, -0.0013921700000000, -0.0001630300000000 ] - [ -0.0000418700000000, 0.0002960700000000, -0.0001630100000000 ] - [ -0.0002610400000000, 0.0004419300000000, 0.0001013800000000 ] - [ -0.0004158100000000, -0.0007489000000000, 0.0003755400000000 ] - [ -0.0005223800000000, -0.0008922600000000, 0.0004129500000000 ] - [ -0.0005474500000000, -0.0008573800000000, 0.0002195800000000 ] - [ -0.0005435600000000, -0.0008174800000000, 0.0002136400000000 ] - [ -0.0004138800000000, 0.0006644100000000, -0.0000625600000000 ] - [ -0.0021504500000000, 0.0050570000000000, 0.0046614100000000 ] - [ -0.0003345400000000, 0.0003296400000000, -0.0003093400000000 ] - [ -0.0001769400000000, 0.0006376300000000, -0.0001550200000000 ] - [ 0.0003344800000000, -0.0005232400000000, -0.0016328100000000 ] - [ 0.0030797200000000, -0.0033440200000000, -0.0001805300000000 ] - [ 0.0010364100000000, 0.0003119300000000, -0.0001379600000000 ] - [ 0.0040464500000000, 0.0025980100000000, -0.0003631000000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001708500000000, -0.0005052000000000, -0.0001247300000000 ] - [ -0.0004037700000000, -0.0009417000000000, -0.0002347200000000 ] - [ -0.0001943600000000, -0.0000141700000000, 0.0002468000000000 ] - [ -0.0003986500000000, -0.0004583800000000, -0.0001194400000000 ] - [ -0.0003045300000000, 0.0002866100000000, -0.0003419700000000 ] - [ -0.0117908900000000, -0.0020380100000000, -0.0079310400000000 ] - [ -0.0002022700000000, 0.0005335400000000, -0.0001515400000000 ] - [ 0.0000309700000000, 0.0012342900000000, -0.0000980400000000 ] - [ 0.0005250900000000, -0.0000615100000000, 0.0000047800000000 ] - [ 0.0005774100000000, -0.0000578400000000, 0.0001440300000000 ] - [ 0.0005466100000000, -0.0000481200000000, -0.0000274500000000 ] - [ 0.0005532000000000, -0.0000374900000000, -0.0000400600000000 ] - [ 0.0069030400000000, -0.0056346200000000, -0.0027501500000000 ] - [ -0.0001396200000000, -0.0001772100000000, 0.0000969500000000 ] - [ -0.0001769600000000, -0.0005943600000000, 0.0000739100000000 ] - [ -0.0005667300000000, -0.0008023300000000, 0.0000863600000000 ] - [ 0.0006161300000000, -0.0000019500000000, 0.0001105000000000 ] - [ 0.0001613800000000, 0.0002319400000000, 0.0006118800000000 ] - [ 0.0005427300000000, 0.0000816600000000, 0.0000725200000000 ] - [ 0.0005179900000000, -0.0002888600000000, 0.0001016300000000 ] - [ -0.0002790700000000, 0.0004240700000000, 0.0003004400000000 ] - [ -0.0003216900000000, 0.0004293500000000, 0.0001875700000000 ] - [ -0.0002943800000000, 0.0004286800000000, 0.0002098000000000 ] - [ -0.0002929200000000, 0.0004143100000000, 0.0002329100000000 ] - [ 0.0001585100000000, 0.0006588400000000, 0.0012644300000000 ] - [ 0.0001207400000000, 0.0002627200000000, 0.0000179700000000 ] - [ 0.0002524900000000, 0.0002399800000000, 0.0000410900000000 ] - [ 0.0001849400000000, 0.0002197800000000, 0.0000176000000000 ] - [ 0.0001604200000000, -0.0003670300000000, 0.0001906300000000 ] - [ 0.0001026800000000, -0.0004094600000000, 0.0002707000000000 ] - [ 0.0001542900000000, -0.0003205700000000, 0.0001862300000000 ] - [ 0.0001367900000000, -0.0003389800000000, 0.0001308200000000 ] - [ -0.0003600400000000, 0.0001357700000000, 0.0003038400000000 ] - [ -0.0003005200000000, 0.0001594700000000, 0.0001330700000000 ] - [ -0.0003067900000000, 0.0000911600000000, 0.0002101100000000 ] - [ -0.0003209800000000, 0.0001010600000000, 0.0001700400000000 ] - [ 0.0000581800000000, 0.0003236100000000, 0.0000076200000000 ] - [ 0.0006345600000000, 0.0006697800000000, 0.0000064400000000 ] - [ -0.0001316900000000, 0.0001068600000000, -0.0000630200000000 ] - [ -0.0000819100000000, 0.0004350900000000, -0.0003096200000000 ] - [ -0.0002998900000000, -0.0000823100000000, -0.0001166400000000 ] - [ -0.0008289400000000, 0.0072350000000000, -0.0076956100000000 ] - [ -0.0002453900000000, -0.0002858700000000, -0.0003327900000000 ] - [ -0.0002831700000000, -0.0001076400000000, -0.0001935200000000 ] - [ -0.0071873700000000, -0.0092874000000000, -0.0046088900000000 ] - [ 0.0001290400000000, -0.0003979000000000, 0.0000387400000000 ] - [ 0.0002776600000000, -0.0002539500000000, -0.0001776600000000 ] - [ 0.0003748500000000, -0.0004705600000000, -0.0004547200000000 ] - [ 0.0000788400000000, -0.0001060200000000, -0.0000919500000000 ] - [ -0.0000357200000000, -0.0003806800000000, -0.0014405300000000 ] - [ 0.0000636800000000, -0.0001141500000000, -0.0000943000000000 ] - [ 0.0001016500000000, -0.0001708800000000, -0.0001065000000000 ] - [ -0.0012859600000000, 0.0006980100000000, 0.0001185500000000 ] - [ 0.0008220400000000, 0.0003052000000000, 0.0004909800000000 ] - [ 0.0000383000000000, -0.0000382700000000, 0.0001322300000000 ] - [ 0.0000651500000000, 0.0001643500000000, 0.0002152600000000 ] - [ -0.0002509200000000, -0.0000750100000000, -0.0001214700000000 ] - [ -0.0000933100000000, -0.0000277800000000, -0.0001318000000000 ] - [ -0.0001523200000000, -0.0000097300000000, -0.0000857700000000 ] - [ -0.0000924300000000, 0.0001026900000000, -0.0001538600000000 ] - [ 0.0159030100000000, 0.0096878000000000, 0.0253652900000000 ] - [ 0.0004520500000000, 0.0001005400000000, 0.0000020900000000 ] - [ 0.0004780900000000, 0.0000378300000000, -0.0000194400000000 ] - [ 0.0005185700000000, 0.0001534800000000, -0.0001356600000000 ] - [ -0.0004445700000000, 0.0004053800000000, -0.0003074100000000 ] - [ -0.0001473400000000, 0.0003897100000000, -0.0002961600000000 ] - [ -0.0002871900000000, 0.0002373900000000, -0.0002175000000000 ] - [ -0.0001886000000000, 0.0004235300000000, -0.0002713200000000 ] - [ -0.0002071300000000, -0.0003643100000000, -0.0003071800000000 ] - [ -0.0001835300000000, -0.0003732600000000, -0.0002186900000000 ] - [ -0.0001669300000000, -0.0004032100000000, -0.0002723500000000 ] - [ -0.0001448900000000, -0.0004071200000000, -0.0002943700000000 ] - [ -0.0002935300000000, -0.0003615100000000, 0.0001270700000000 ] - [ -0.0001580700000000, -0.0003548000000000, -0.0002045200000000 ] - [ -0.0003063500000000, -0.0003590300000000, 0.0001271700000000 ] - [ -0.0002735800000000, -0.0003655300000000, 0.0001103900000000 ] - [ 0.0010243600000000, 0.0003755600000000, -0.0001540500000000 ] - [ -0.0000003600000000, -0.0007127900000000, -0.0001538300000000 ] - [ 0.0003248600000000, -0.0000498400000000, 0.0001134000000000 ] - [ 0.0003744300000000, -0.0002148600000000, -0.0000002900000000 ] - [ -0.0001791200000000, 0.0004074400000000, 0.0003147100000000 ] - [ 0.0005878900000000, 0.0022150000000000, 0.0005273200000000 ] - [ -0.0003046000000000, 0.0005188100000000, 0.0005272100000000 ] - [ -0.0000817700000000, 0.0003756600000000, 0.0002663400000000 ] - [ -0.0005706600000000, -0.0009589600000000, -0.0003721600000000 ] - [ -0.0004643700000000, -0.0008191700000000, -0.0004111500000000 ] - [ -0.0004379700000000, -0.0008504600000000, -0.0002165500000000 ] - [ -0.0004441200000000, -0.0008920400000000, -0.0002125500000000 ] - [ -0.0005763600000000, 0.0010425600000000, 0.0000676400000000 ] - [ 0.0011600800000000, -0.0033463000000000, -0.0046823200000000 ] - [ -0.0006526100000000, 0.0013776300000000, 0.0003143500000000 ] - [ -0.0008125200000000, 0.0010705100000000, 0.0001603000000000 ] - [ 0.0016281600000000, 0.0005013000000000, 0.0016057300000000 ] - [ -0.0010980400000000, 0.0033549100000000, 0.0001861400000000 ] - [ 0.0009359900000000, -0.0003136800000000, 0.0001387900000000 ] - [ -0.0020586200000000, -0.0025960400000000, 0.0003648900000000 ]- atom: 85 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001644700000000, -0.0000539200000000, 0.0003031700000000 ] - [ -0.0005888700000000, -0.0005772500000000, -0.0003678500000000 ] - [ -0.0002870300000000, 0.0000462300000000, -0.0003051200000000 ] - [ -0.0004687500000000, -0.0005538300000000, -0.0000977100000000 ] - [ -0.0003013500000000, 0.0004556600000000, -0.0001914500000000 ] - [ -0.0005313800000000, 0.0006763400000000, 0.0000057900000000 ] - [ -0.0003615400000000, 0.0005189100000000, -0.0001109600000000 ] - [ 0.0000416300000000, 0.0003110800000000, -0.0000003900000000 ] - [ -0.0013074000000000, -0.0003005100000000, -0.0000601500000000 ] - [ 0.0981099800000000, 0.0110244300000000, 0.0028982800000000 ] - [ 0.0006621900000000, -0.0004232800000000, -0.0004687400000000 ] - [ -0.0007450700000000, 0.0020869700000000, -0.0004931600000000 ] - [ 0.0006510200000000, -0.0001278400000000, 0.0001185400000000 ] - [ -0.0005567800000000, -0.0006366700000000, 0.0000357200000000 ] - [ -0.0001947000000000, -0.0003539600000000, 0.0000816900000000 ] - [ -0.0004286700000000, -0.0006328500000000, 0.0001525000000000 ] - [ 0.0001171200000000, -0.0003576600000000, 0.0009235300000000 ] - [ 0.0008010600000000, -0.0000133100000000, 0.0002250600000000 ] - [ 0.0002896400000000, 0.0001846200000000, 0.0001354300000000 ] - [ 0.0009936700000000, -0.0000491500000000, -0.0000594300000000 ] - [ -0.0018583900000000, 0.0010243700000000, -0.0006042500000000 ] - [ -0.0003579800000000, 0.0000032100000000, 0.0000727400000000 ] - [ 0.0227864100000000, -0.0319704100000000, 0.0023907700000000 ] - [ -0.0024225200000000, 0.0005773000000000, 0.0001999000000000 ] - [ 0.0001159600000000, 0.0005897200000000, 0.0007071200000000 ] - [ 0.0006783400000000, 0.0002019900000000, -0.0008706400000000 ] - [ 0.0004890900000000, 0.0005419300000000, 0.0006229400000000 ] - [ -0.0000254100000000, -0.0000066600000000, -0.0000979000000000 ] - [ 0.0182413700000000, 0.0147486000000000, -0.0236972400000000 ] - [ -0.0015705700000000, 0.0005070600000000, -0.0002710900000000 ] - [ -0.0002354900000000, 0.0002945400000000, -0.0005972000000000 ] - [ -0.0001329200000000, -0.0006749100000000, -0.0000743900000000 ] - [ 0.0137692900000000, 0.0140035300000000, 0.0197295100000000 ] - [ -0.0014935700000000, 0.0001896600000000, -0.0000024400000000 ] - [ -0.0006064600000000, 0.0005067400000000, 0.0006530600000000 ] - [ -0.0008729900000000, -0.0005699800000000, -0.0002872600000000 ] - [ -0.0001984700000000, 0.0002052200000000, -0.0002591800000000 ] - [ 0.0004448100000000, -0.0000202200000000, 0.0017204900000000 ] - [ 0.0006545900000000, -0.0006353700000000, -0.0009929300000000 ] - [ 0.0002051900000000, 0.0004921900000000, 0.0001460600000000 ] - [ -0.0005805900000000, 0.0001010200000000, 0.0000482200000000 ] - [ -0.0003316100000000, 0.0000286100000000, -0.0006072500000000 ] - [ -0.0003806100000000, -0.0001313700000000, -0.0001170500000000 ] - [ -0.0002178900000000, 0.0002408400000000, 0.0003621600000000 ] - [ 0.0001378200000000, -0.0002821000000000, -0.0001423900000000 ] - [ 0.0000328200000000, -0.0002295800000000, 0.0001289800000000 ] - [ 0.0000334200000000, -0.0003220000000000, -0.0002117600000000 ] - [ 0.0003358800000000, -0.0003329200000000, 0.0007636200000000 ] - [ 0.0007828000000000, 0.0002157500000000, 0.0005388100000000 ] - [ 0.0002389600000000, -0.0022873700000000, -0.0031321800000000 ] - [ 0.0003805400000000, 0.0002634100000000, -0.0002294400000000 ] - [ -0.0001955700000000, -0.0005329700000000, 0.0008866100000000 ] - [ -0.0000464700000000, 0.0001433500000000, -0.0001763300000000 ] - [ 0.0002169600000000, 0.0000682600000000, -0.0000094400000000 ] - [ 0.0001177000000000, 0.0000782200000000, 0.0000258500000000 ] - [ 0.0000268900000000, 0.0002151800000000, -0.0000605900000000 ] - [ -0.0008736500000000, 0.0007343800000000, 0.0001385100000000 ] - [ -0.0000141800000000, -0.0003379700000000, -0.0000106600000000 ] - [ 0.0017086100000000, -0.0010296400000000, -0.0017946800000000 ] - [ 0.0010934900000000, 0.0011312000000000, 0.0023461900000000 ] - [ 0.0003009200000000, 0.0000293800000000, -0.0001044200000000 ] - [ 0.0005177800000000, 0.0000142200000000, -0.0002102900000000 ] - [ 0.0003594000000000, 0.0001047500000000, -0.0002372300000000 ] - [ 0.0005538500000000, 0.0000826200000000, -0.0002301000000000 ] - [ -0.0023444700000000, 0.0001586900000000, -0.0030034400000000 ] - [ -0.0000767800000000, 0.0002651600000000, 0.0001948800000000 ] - [ -0.0001084900000000, 0.0002139800000000, -0.0000567600000000 ] - [ -0.0003276000000000, 0.0004383800000000, -0.0001505600000000 ] - [ -0.0008982200000000, 0.0010944500000000, -0.0003047700000000 ] - [ -0.0003105400000000, -0.0008258200000000, 0.0000653700000000 ] - [ 0.0022451300000000, -0.0011913300000000, 0.0005431600000000 ] - [ 0.0039864000000000, 0.0040850500000000, -0.0041405000000000 ] - [ 0.0028141400000000, 0.0012218400000000, -0.0005802700000000 ] - [ 0.0034093900000000, -0.0067684900000000, 0.0039624700000000 ] - [ -0.0003046300000000, 0.0002697700000000, 0.0004747800000000 ] - [ -0.0010263200000000, -0.0030613200000000, -0.0016802900000000 ] - [ 0.0006047400000000, -0.0009508700000000, 0.0018535000000000 ] - [ 0.0008356500000000, -0.0003101300000000, 0.0000986000000000 ] - [ 0.0002072100000000, 0.0001434700000000, 0.0000206200000000 ] - [ 0.0003666300000000, 0.0000691800000000, -0.0001397200000000 ] - [ 0.0000577100000000, 0.0004475700000000, 0.0001303000000000 ] - [ -0.0002918600000000, 0.0003663100000000, 0.0001570600000000 ] - [ -0.0004606300000000, 0.0005353700000000, 0.0001991200000000 ] - [ -0.0001267600000000, 0.0003494700000000, 0.0001247300000000 ] - [ -0.1652635300000000, -0.0049721200000000, 0.0027102500000000 ] - [ 0.0037370500000000, -0.0015164400000000, -0.0008000000000000 ] - [ 0.0028455000000000, -0.0020560600000000, 0.0005665100000000 ] - [ -0.0003946800000000, 0.0002111200000000, 0.0011000800000000 ] - [ 0.0004842800000000, 0.0006420300000000, 0.0002479800000000 ] - [ 0.0004821300000000, 0.0004173600000000, 0.0000139000000000 ] - [ 0.0000067500000000, 0.0012030100000000, 0.0001982600000000 ] - [ -0.0017352300000000, 0.0005422100000000, -0.0002727900000000 ] - [ 0.0015384300000000, 0.0001916600000000, 0.0005784200000000 ] - [ 0.0012362000000000, -0.0004954400000000, -0.0001422100000000 ] - [ 0.0017311800000000, 0.0000778900000000, 0.0005109100000000 ] - [ -0.0007855800000000, 0.0000062400000000, -0.0016575600000000 ]- atom: 85 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007819900000000, -0.0008190800000000, -0.0005370400000000 ] - [ -0.0000303900000000, -0.0002995600000000, 0.0001319100000000 ] - [ -0.0003311700000000, -0.0009208100000000, 0.0000690100000000 ] - [ -0.0001513300000000, -0.0003218800000000, -0.0001380400000000 ] - [ -0.0001525700000000, 0.0005130800000000, -0.0000521000000000 ] - [ 0.0000791200000000, 0.0002988700000000, -0.0002377300000000 ] - [ -0.0000906600000000, 0.0004560100000000, -0.0001239100000000 ] - [ -0.0004903000000000, 0.0006618000000000, -0.0002327000000000 ] - [ 0.0023904900000000, 0.0002113800000000, -0.0001772100000000 ] - [ -0.0923053200000000, -0.0105235600000000, -0.0029367600000000 ] - [ 0.0004080900000000, 0.0003221500000000, 0.0002337300000000 ] - [ 0.0018225100000000, -0.0021799300000000, 0.0002575900000000 ] - [ -0.0010974100000000, -0.0008422200000000, 0.0001183500000000 ] - [ 0.0001057200000000, -0.0003378200000000, 0.0001980300000000 ] - [ -0.0002536500000000, -0.0006185000000000, 0.0001526400000000 ] - [ -0.0000220500000000, -0.0003431500000000, 0.0000827700000000 ] - [ 0.0009483900000000, 0.0004488600000000, -0.0006831400000000 ] - [ 0.0002698900000000, 0.0001097700000000, 0.0000067600000000 ] - [ 0.0007780700000000, -0.0000880300000000, 0.0000971100000000 ] - [ 0.0000763000000000, 0.0001453500000000, 0.0002911700000000 ] - [ 0.0012251100000000, -0.0001060500000000, 0.0008400600000000 ] - [ -0.0002678600000000, 0.0008693100000000, 0.0001591100000000 ] - [ -0.0233649000000000, 0.0334255500000000, -0.0021541500000000 ] - [ 0.0018193100000000, 0.0003046200000000, 0.0000446400000000 ] - [ 0.0002347300000000, 0.0000120400000000, -0.0006968100000000 ] - [ -0.0003131500000000, 0.0003828300000000, 0.0009043500000000 ] - [ -0.0001207200000000, 0.0000390800000000, -0.0005760200000000 ] - [ 0.0003933600000000, 0.0005874500000000, 0.0001403800000000 ] - [ -0.0177347300000000, -0.0155044300000000, 0.0240237500000000 ] - [ 0.0019414300000000, -0.0010846000000000, 0.0002344000000000 ] - [ 0.0006022000000000, -0.0008743100000000, 0.0005581200000000 ] - [ 0.0004964600000000, 0.0000863400000000, 0.0000318400000000 ] - [ -0.0142482800000000, -0.0140063200000000, -0.0197394200000000 ] - [ 0.0008042900000000, -0.0001623800000000, 0.0000453600000000 ] - [ -0.0000855200000000, -0.0004780800000000, -0.0006159100000000 ] - [ 0.0001787800000000, 0.0005847200000000, 0.0003307600000000 ] - [ 0.0005153200000000, 0.0004066700000000, 0.0002133800000000 ] - [ -0.0001289800000000, 0.0006278800000000, -0.0017447500000000 ] - [ -0.0003306700000000, 0.0012414200000000, 0.0009501600000000 ] - [ 0.0001152200000000, 0.0001181200000000, -0.0001865600000000 ] - [ -0.0001085800000000, -0.0001300100000000, -0.0000984800000000 ] - [ -0.0003571900000000, -0.0000563100000000, 0.0005615600000000 ] - [ -0.0003070700000000, 0.0001013200000000, 0.0000701700000000 ] - [ -0.0004691000000000, -0.0002689400000000, -0.0004066400000000 ] - [ 0.0001827200000000, -0.0003284700000000, 0.0001856300000000 ] - [ 0.0002852000000000, -0.0003802700000000, -0.0000833600000000 ] - [ 0.0002853500000000, -0.0002883800000000, 0.0002551300000000 ] - [ -0.0000143000000000, -0.0002765600000000, -0.0007176400000000 ] - [ -0.0006303400000000, -0.0004724700000000, -0.0005434900000000 ] - [ -0.0000895000000000, 0.0020227000000000, 0.0031131700000000 ] - [ -0.0002306300000000, -0.0005144700000000, 0.0002292700000000 ] - [ 0.0003381900000000, 0.0002752800000000, -0.0008821800000000 ] - [ 0.0001923700000000, 0.0001099900000000, 0.0001773700000000 ] - [ -0.0000698700000000, 0.0001858300000000, 0.0000096300000000 ] - [ 0.0000287500000000, 0.0001756700000000, -0.0000254200000000 ] - [ 0.0001199500000000, 0.0000391100000000, 0.0000607800000000 ] - [ 0.0005745400000000, -0.0007318600000000, -0.0001410000000000 ] - [ -0.0002789800000000, 0.0003371000000000, 0.0000106800000000 ] - [ -0.0020003100000000, 0.0010370700000000, 0.0018039800000000 ] - [ -0.0013754800000000, -0.0011266500000000, -0.0023404000000000 ] - [ 0.0005770300000000, 0.0000815300000000, -0.0002590700000000 ] - [ 0.0003640500000000, 0.0000950600000000, -0.0001526100000000 ] - [ 0.0005193100000000, 0.0000062600000000, -0.0001264900000000 ] - [ 0.0003260400000000, 0.0000280700000000, -0.0001339900000000 ] - [ 0.0017956900000000, 0.0005447500000000, 0.0026174600000000 ] - [ -0.0004597000000000, 0.0004468300000000, -0.0005537000000000 ] - [ -0.0004273400000000, 0.0004973800000000, -0.0003035300000000 ] - [ -0.0002071000000000, 0.0002733600000000, -0.0002073000000000 ] - [ 0.0005366100000000, -0.0018835000000000, -0.0000642700000000 ] - [ -0.0000361700000000, 0.0000041400000000, -0.0004261900000000 ] - [ -0.0025791300000000, 0.0003850900000000, -0.0009040800000000 ] - [ -0.0042924400000000, -0.0048836600000000, 0.0037521000000000 ] - [ -0.0033345600000000, -0.0019266400000000, 0.0009554200000000 ] - [ -0.0039206000000000, 0.0060254100000000, -0.0035900000000000 ] - [ -0.0002334700000000, -0.0009784400000000, -0.0001158400000000 ] - [ 0.0004738000000000, 0.0023465200000000, 0.0020318300000000 ] - [ 0.0002827600000000, 0.0008215700000000, -0.0014627700000000 ] - [ 0.0000503100000000, 0.0002004800000000, 0.0002602800000000 ] - [ 0.0006751400000000, -0.0002508000000000, 0.0003384600000000 ] - [ 0.0005171800000000, -0.0001753800000000, 0.0004960600000000 ] - [ -0.0004007400000000, 0.0003689000000000, 0.0002339500000000 ] - [ -0.0000521900000000, 0.0004500600000000, 0.0002072000000000 ] - [ 0.0001152600000000, 0.0002820500000000, 0.0001651100000000 ] - [ -0.0002167700000000, 0.0004665700000000, 0.0002392400000000 ] - [ 0.1591095500000000, 0.0022670900000000, -0.0031939600000000 ] - [ -0.0047482300000000, -0.0001874400000000, 0.0007955400000000 ] - [ -0.0038168200000000, 0.0003252000000000, -0.0005636800000000 ] - [ -0.0005803600000000, -0.0019120400000000, -0.0010939400000000 ] - [ -0.0014602100000000, 0.0010620300000000, -0.0002436900000000 ] - [ -0.0014630600000000, 0.0012774200000000, 0.0000045000000000 ] - [ -0.0009936300000000, 0.0005068100000000, -0.0001952600000000 ] - [ 0.0007439200000000, 0.0011653900000000, 0.0002749200000000 ] - [ 0.0004312300000000, -0.0001848900000000, -0.0005765000000000 ] - [ 0.0007365400000000, 0.0004899100000000, 0.0001387000000000 ] - [ 0.0002430500000000, -0.0000783500000000, -0.0005085400000000 ] - [ 0.0027462300000000, -0.0000089800000000, 0.0016427200000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0004749800000000, -0.0013469500000000, -0.0008565100000000 ] - [ -0.0001654700000000, -0.0005129900000000, -0.0001544800000000 ] - [ -0.0002861300000000, -0.0002293300000000, -0.0005365000000000 ] - [ -0.0001857200000000, 0.0000511200000000, -0.0004003200000000 ] - [ 0.0000132600000000, 0.0005920600000000, -0.0007057900000000 ] - [ -0.0000845100000000, 0.0003784400000000, -0.0003420000000000 ] - [ -0.0004036900000000, 0.0006146500000000, -0.0004744600000000 ] - [ -0.0001259700000000, 0.0006287800000000, -0.0001644200000000 ] - [ 0.0011338800000000, 0.0005766300000000, 0.0001152800000000 ] - [ 0.0051332900000000, -0.0001433600000000, 0.0094468300000000 ] - [ 0.0009878500000000, -0.0001730600000000, 0.0001826100000000 ] - [ 0.0008433900000000, 0.0004307300000000, -0.0003286800000000 ] - [ 0.0004735600000000, 0.0001085600000000, -0.0006148100000000 ] - [ -0.0003931900000000, -0.0006108500000000, -0.0003011500000000 ] - [ -0.0000877400000000, -0.0005724800000000, 0.0000795100000000 ] - [ -0.0005857500000000, -0.0008374800000000, -0.0001653800000000 ] - [ 0.0005591500000000, -0.0002200200000000, -0.0004611300000000 ] - [ 0.0003344300000000, 0.0001393600000000, -0.0002416900000000 ] - [ 0.0006990100000000, -0.0000200900000000, -0.0001090000000000 ] - [ 0.0004587700000000, -0.0001095200000000, 0.0000689400000000 ] - [ -0.0005664000000000, -0.0003749100000000, 0.0003499600000000 ] - [ 0.0000332400000000, 0.0001172300000000, 0.0004167800000000 ] - [ 0.0021640500000000, -0.0037789200000000, 0.0097336300000000 ] - [ -0.0005611600000000, -0.0000583900000000, -0.0000916000000000 ] - [ -0.0000568500000000, 0.0009475900000000, -0.0012075600000000 ] - [ 0.0015926700000000, 0.0006419500000000, -0.0018279100000000 ] - [ 0.0001770900000000, -0.0001333600000000, 0.0008637100000000 ] - [ 0.0002335700000000, 0.0003417000000000, -0.0000899600000000 ] - [ -0.0244420700000000, -0.0364849000000000, 0.0704871000000000 ] - [ 0.0010233400000000, -0.0004213200000000, 0.0003757000000000 ] - [ -0.0001893600000000, -0.0006356000000000, 0.0005364200000000 ] - [ -0.0003246900000000, -0.0003981600000000, 0.0002241100000000 ] - [ 0.0178089700000000, 0.0375066100000000, 0.0682198800000000 ] - [ -0.0002303400000000, 0.0005070400000000, 0.0005753700000000 ] - [ 0.0001846900000000, -0.0006479000000000, 0.0004115200000000 ] - [ -0.0005003500000000, 0.0005113800000000, 0.0002655800000000 ] - [ -0.0005183700000000, 0.0001807800000000, -0.0012351600000000 ] - [ 0.0005194100000000, 0.0005229500000000, 0.0008234000000000 ] - [ 0.0005617100000000, -0.0010860300000000, -0.0018626200000000 ] - [ 0.0001403500000000, 0.0002369600000000, -0.0001338700000000 ] - [ -0.0002102200000000, -0.0002808500000000, -0.0009767300000000 ] - [ -0.0002065800000000, -0.0001607100000000, -0.0005026300000000 ] - [ -0.0002371900000000, -0.0000630600000000, -0.0003602600000000 ] - [ -0.0002707400000000, -0.0004921500000000, -0.0001195300000000 ] - [ 0.0004578100000000, -0.0002872300000000, -0.0009302700000000 ] - [ 0.0002538900000000, -0.0003725900000000, -0.0003148700000000 ] - [ 0.0003559400000000, -0.0003509100000000, -0.0004587100000000 ] - [ 0.0006088700000000, -0.0001297300000000, -0.0000742500000000 ] - [ 0.0023650000000000, -0.0000487100000000, 0.0002765000000000 ] - [ -0.0031315700000000, 0.0003311900000000, 0.0009512800000000 ] - [ 0.0001972900000000, 0.0002689000000000, -0.0002423800000000 ] - [ 0.0002525300000000, -0.0006701400000000, -0.0000994000000000 ] - [ 0.0001330800000000, 0.0000913000000000, 0.0006885700000000 ] - [ 0.0000303800000000, 0.0001958700000000, 0.0003215500000000 ] - [ -0.0000079800000000, 0.0001298500000000, 0.0003216300000000 ] - [ 0.0001419200000000, 0.0000876000000000, 0.0003390900000000 ] - [ 0.0009319600000000, -0.0020283600000000, 0.0002806900000000 ] - [ -0.0004282400000000, -0.0003060800000000, -0.0002436400000000 ] - [ -0.0021608400000000, 0.0025594400000000, 0.0009534000000000 ] - [ 0.0004153900000000, 0.0001157700000000, -0.0001076400000000 ] - [ 0.0002513600000000, 0.0003085400000000, 0.0001928900000000 ] - [ 0.0006916300000000, -0.0000658600000000, 0.0002325200000000 ] - [ 0.0004440200000000, 0.0000733500000000, 0.0000375500000000 ] - [ 0.0005137200000000, 0.0000877100000000, 0.0000295700000000 ] - [ 0.0017755600000000, 0.0008487500000000, 0.0044951100000000 ] - [ -0.0009495200000000, 0.0006245200000000, -0.0004916400000000 ] - [ -0.0001756600000000, 0.0003334500000000, -0.0002442400000000 ] - [ -0.0003021400000000, 0.0002984000000000, -0.0003369000000000 ] - [ -0.0027726400000000, 0.0051032700000000, -0.0018039600000000 ] - [ -0.0006657400000000, -0.0003583300000000, -0.0003179700000000 ] - [ -0.0000291400000000, -0.0003184900000000, -0.0005335100000000 ] - [ -0.0002257100000000, 0.0001133500000000, -0.0003538300000000 ] - [ -0.0063725300000000, -0.0008668500000000, -0.0014315400000000 ] - [ -0.0002840500000000, -0.0004963400000000, -0.0001927800000000 ] - [ -0.0005582000000000, 0.0000427000000000, 0.0000417900000000 ] - [ -0.0007610900000000, -0.0005928000000000, -0.0000113600000000 ] - [ 0.0010348400000000, -0.0020749700000000, 0.0048421000000000 ] - [ 0.0005078600000000, -0.0001227700000000, 0.0001166500000000 ] - [ -0.0001309000000000, 0.0004018000000000, -0.0001302600000000 ] - [ 0.0004753500000000, 0.0000052700000000, 0.0000239200000000 ] - [ -0.0004872500000000, 0.0004442600000000, 0.0005577800000000 ] - [ -0.0001853200000000, 0.0003954700000000, 0.0004014200000000 ] - [ 0.0000569700000000, 0.0002517200000000, 0.0005967700000000 ] - [ -0.0001627200000000, 0.0003281100000000, 0.0003937600000000 ] - [ 0.0036292300000000, -0.0005403700000000, -0.1646355100000000 ] - [ -0.0012985400000000, -0.0019665800000000, 0.0002711500000000 ] - [ 0.0000765500000000, 0.0003872400000000, 0.0002685600000000 ] - [ 0.0006003400000000, -0.0014937100000000, 0.0001185600000000 ] - [ -0.0004946000000000, 0.0002662000000000, 0.0018229500000000 ] - [ -0.0007393800000000, 0.0003254700000000, 0.0018266700000000 ] - [ -0.0006914100000000, 0.0011293300000000, 0.0003459700000000 ] - [ -0.0002180200000000, 0.0026046900000000, -0.0003404800000000 ] - [ 0.0014875800000000, 0.0002989500000000, 0.0018180900000000 ] - [ 0.0006494600000000, 0.0000311500000000, 0.0003447700000000 ] - [ 0.0013144700000000, 0.0004731500000000, 0.0018143500000000 ] - [ -0.0003879600000000, -0.0011080600000000, -0.0003426500000000 ]