# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/3b98e063-2f09-4c28-bd05-5629c7149f0b/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 Ta2Pd3Se8 / Pbam (55) / materials id 18010](https://mdr.nims.go.jp/datasets/544449c0-1e2d-4a95-8046-1d81098d9d94) ## 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: "Pbam" number: 55 Hall_symbol: "-P 2 2ab"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 4 ]primitive_cell: lattice: - [ 10.721589099999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 15.121014610000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 3.538179470000000 ] # c points: - symbol: Se # 1 coordinates: [ 0.945425290000000, 0.379658660000000, 0.500000000000000 ] mass: 78.960000 - symbol: Se # 2 coordinates: [ 0.054574710000000, 0.620341340000000, 0.500000000000000 ] mass: 78.960000 - symbol: Se # 3 coordinates: [ 0.445425290000000, 0.120341340000000, 0.500000000000000 ] mass: 78.960000 - symbol: Se # 4 coordinates: [ 0.554574710000000, 0.879658660000000, 0.500000000000000 ] mass: 78.960000 - symbol: Se # 5 coordinates: [ 0.739147390000000, 0.212883960000000, 0.500000000000000 ] mass: 78.960000 - symbol: Se # 6 coordinates: [ 0.260852610000000, 0.787116040000000, 0.500000000000000 ] mass: 78.960000 - symbol: Se # 7 coordinates: [ 0.239147390000000, 0.287116040000000, 0.500000000000000 ] mass: 78.960000 - symbol: Se # 8 coordinates: [ 0.760852610000000, 0.712883960000000, 0.500000000000000 ] mass: 78.960000 - symbol: Se # 9 coordinates: [ 0.536524090000000, 0.341921180000000, 0.000000000000000 ] mass: 78.960000 - symbol: Se # 10 coordinates: [ 0.463475910000000, 0.658078820000000, 0.000000000000000 ] mass: 78.960000 - symbol: Se # 11 coordinates: [ 0.771919630000000, 0.005668670000000, 0.000000000000000 ] mass: 78.960000 - symbol: Se # 12 coordinates: [ 0.228080370000000, 0.994331330000000, 0.000000000000000 ] mass: 78.960000 - symbol: Se # 13 coordinates: [ 0.271919630000000, 0.494331330000000, 0.000000000000000 ] mass: 78.960000 - symbol: Se # 14 coordinates: [ 0.728080370000000, 0.505668670000000, 0.000000000000000 ] mass: 78.960000 - symbol: Se # 15 coordinates: [ 0.963475910000000, 0.841921180000000, 0.000000000000000 ] mass: 78.960000 - symbol: Se # 16 coordinates: [ 0.036524090000000, 0.158078820000000, 0.000000000000000 ] mass: 78.960000 - symbol: Pd # 17 coordinates: [ 0.868920820000000, 0.279867850000000, 0.000000000000000 ] mass: 106.420000 - symbol: Pd # 18 coordinates: [ 0.131079180000000, 0.720132150000000, 0.000000000000000 ] mass: 106.420000 - symbol: Pd # 19 coordinates: [ 0.368920820000000, 0.220132150000000, 0.000000000000000 ] mass: 106.420000 - symbol: Pd # 20 coordinates: [ 0.631079180000000, 0.779867850000000, 0.000000000000000 ] mass: 106.420000 - symbol: Pd # 21 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 106.420000 - symbol: Pd # 22 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 106.420000 - symbol: Ta # 23 coordinates: [ 0.706845850000000, 0.380217860000000, 0.500000000000000 ] mass: 180.947880 - symbol: Ta # 24 coordinates: [ 0.293154150000000, 0.619782140000000, 0.500000000000000 ] mass: 180.947880 - symbol: Ta # 25 coordinates: [ 0.206845850000000, 0.119782140000000, 0.500000000000000 ] mass: 180.947880 - symbol: Ta # 26 coordinates: [ 0.793154150000000, 0.880217860000000, 0.500000000000000 ] mass: 180.947880 reciprocal_lattice: # without 2pi - [ 0.093269756066291, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.066133128350969, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.282631225600323 ] # c*unit_cell: lattice: - [ 10.721589099999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 15.121014610000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 3.538179470000000 ] # c points: - symbol: Se # 1 coordinates: [ 0.945425290000000, 0.379658660000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 2 coordinates: [ 0.054574710000000, 0.620341340000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 2 - symbol: Se # 3 coordinates: [ 0.445425290000000, 0.120341340000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 3 - symbol: Se # 4 coordinates: [ 0.554574710000000, 0.879658660000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 4 - symbol: Se # 5 coordinates: [ 0.739147390000000, 0.212883960000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 6 coordinates: [ 0.260852610000000, 0.787116040000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 6 - symbol: Se # 7 coordinates: [ 0.239147390000000, 0.287116040000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 7 - symbol: Se # 8 coordinates: [ 0.760852610000000, 0.712883960000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 8 - symbol: Se # 9 coordinates: [ 0.536524090000000, 0.341921180000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 10 coordinates: [ 0.463475910000000, 0.658078820000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 11 coordinates: [ 0.771919630000000, 0.005668670000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 12 coordinates: [ 0.228080370000000, 0.994331330000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 12 - symbol: Se # 13 coordinates: [ 0.271919630000000, 0.494331330000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 14 coordinates: [ 0.728080370000000, 0.505668670000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 14 - symbol: Se # 15 coordinates: [ 0.963475910000000, 0.841921180000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 15 - symbol: Se # 16 coordinates: [ 0.036524090000000, 0.158078820000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 16 - symbol: Pd # 17 coordinates: [ 0.868920820000000, 0.279867850000000, 0.000000000000000 ] mass: 106.420000 reduced_to: 17 - symbol: Pd # 18 coordinates: [ 0.131079180000000, 0.720132150000000, 0.000000000000000 ] mass: 106.420000 reduced_to: 18 - symbol: Pd # 19 coordinates: [ 0.368920820000000, 0.220132150000000, 0.000000000000000 ] mass: 106.420000 reduced_to: 19 - symbol: Pd # 20 coordinates: [ 0.631079180000000, 0.779867850000000, 0.000000000000000 ] mass: 106.420000 reduced_to: 20 - symbol: Pd # 21 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 106.420000 reduced_to: 21 - symbol: Pd # 22 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 106.420000 reduced_to: 22 - symbol: Ta # 23 coordinates: [ 0.706845850000000, 0.380217860000000, 0.500000000000000 ] mass: 180.947880 reduced_to: 23 - symbol: Ta # 24 coordinates: [ 0.293154150000000, 0.619782140000000, 0.500000000000000 ] mass: 180.947880 reduced_to: 24 - symbol: Ta # 25 coordinates: [ 0.206845850000000, 0.119782140000000, 0.500000000000000 ] mass: 180.947880 reduced_to: 25 - symbol: Ta # 26 coordinates: [ 0.793154150000000, 0.880217860000000, 0.500000000000000 ] mass: 180.947880 reduced_to: 26supercell: lattice: - [ 10.721589099999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 15.121014610000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.152717880000001 ] # c points: - symbol: Se # 1 coordinates: [ 0.945425290000000, 0.379658660000000, 0.125000000000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 2 coordinates: [ 0.945425290000000, 0.379658660000000, 0.375000000000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 3 coordinates: [ 0.945425290000000, 0.379658660000000, 0.625000000000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 4 coordinates: [ 0.945425290000000, 0.379658660000000, 0.875000000000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 5 coordinates: [ 0.054574710000000, 0.620341340000000, 0.125000000000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 6 coordinates: [ 0.054574710000000, 0.620341340000000, 0.375000000000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 7 coordinates: [ 0.054574710000000, 0.620341340000000, 0.625000000000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 8 coordinates: [ 0.054574710000000, 0.620341340000000, 0.875000000000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 9 coordinates: [ 0.445425290000000, 0.120341340000000, 0.125000000000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 10 coordinates: [ 0.445425290000000, 0.120341340000000, 0.375000000000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 11 coordinates: [ 0.445425290000000, 0.120341340000000, 0.625000000000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 12 coordinates: [ 0.445425290000000, 0.120341340000000, 0.875000000000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 13 coordinates: [ 0.554574710000000, 0.879658660000000, 0.125000000000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 14 coordinates: [ 0.554574710000000, 0.879658660000000, 0.375000000000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 15 coordinates: [ 0.554574710000000, 0.879658660000000, 0.625000000000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 16 coordinates: [ 0.554574710000000, 0.879658660000000, 0.875000000000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 17 coordinates: [ 0.739147390000000, 0.212883960000000, 0.125000000000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 18 coordinates: [ 0.739147390000000, 0.212883960000000, 0.375000000000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 19 coordinates: [ 0.739147390000000, 0.212883960000000, 0.625000000000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 20 coordinates: [ 0.739147390000000, 0.212883960000000, 0.875000000000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 21 coordinates: [ 0.260852610000000, 0.787116040000000, 0.125000000000000 ] mass: 78.960000 reduced_to: 21 - symbol: Se # 22 coordinates: [ 0.260852610000000, 0.787116040000000, 0.375000000000000 ] mass: 78.960000 reduced_to: 21 - symbol: Se # 23 coordinates: [ 0.260852610000000, 0.787116040000000, 0.625000000000000 ] mass: 78.960000 reduced_to: 21 - symbol: Se # 24 coordinates: [ 0.260852610000000, 0.787116040000000, 0.875000000000000 ] mass: 78.960000 reduced_to: 21 - symbol: Se # 25 coordinates: [ 0.239147390000000, 0.287116040000000, 0.125000000000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 26 coordinates: [ 0.239147390000000, 0.287116040000000, 0.375000000000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 27 coordinates: [ 0.239147390000000, 0.287116040000000, 0.625000000000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 28 coordinates: [ 0.239147390000000, 0.287116040000000, 0.875000000000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 29 coordinates: [ 0.760852610000000, 0.712883960000000, 0.125000000000000 ] mass: 78.960000 reduced_to: 29 - symbol: Se # 30 coordinates: [ 0.760852610000000, 0.712883960000000, 0.375000000000000 ] mass: 78.960000 reduced_to: 29 - symbol: Se # 31 coordinates: [ 0.760852610000000, 0.712883960000000, 0.625000000000000 ] mass: 78.960000 reduced_to: 29 - symbol: Se # 32 coordinates: [ 0.760852610000000, 0.712883960000000, 0.875000000000000 ] mass: 78.960000 reduced_to: 29 - symbol: Se # 33 coordinates: [ 0.536524090000000, 0.341921180000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 34 coordinates: [ 0.536524090000000, 0.341921180000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 35 coordinates: [ 0.536524090000000, 0.341921180000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 36 coordinates: [ 0.536524090000000, 0.341921180000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 37 coordinates: [ 0.463475910000000, 0.658078820000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 38 coordinates: [ 0.463475910000000, 0.658078820000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 39 coordinates: [ 0.463475910000000, 0.658078820000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 40 coordinates: [ 0.463475910000000, 0.658078820000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 41 coordinates: [ 0.771919630000000, 0.005668670000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 42 coordinates: [ 0.771919630000000, 0.005668670000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 43 coordinates: [ 0.771919630000000, 0.005668670000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 44 coordinates: [ 0.771919630000000, 0.005668670000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 45 coordinates: [ 0.228080370000000, 0.994331330000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 46 coordinates: [ 0.228080370000000, 0.994331330000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 47 coordinates: [ 0.228080370000000, 0.994331330000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 48 coordinates: [ 0.228080370000000, 0.994331330000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 49 coordinates: [ 0.271919630000000, 0.494331330000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 50 coordinates: [ 0.271919630000000, 0.494331330000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 51 coordinates: [ 0.271919630000000, 0.494331330000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 52 coordinates: [ 0.271919630000000, 0.494331330000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 53 coordinates: [ 0.728080370000000, 0.505668670000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 54 coordinates: [ 0.728080370000000, 0.505668670000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 55 coordinates: [ 0.728080370000000, 0.505668670000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 56 coordinates: [ 0.728080370000000, 0.505668670000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 57 coordinates: [ 0.963475910000000, 0.841921180000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 58 coordinates: [ 0.963475910000000, 0.841921180000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 59 coordinates: [ 0.963475910000000, 0.841921180000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 60 coordinates: [ 0.963475910000000, 0.841921180000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 61 coordinates: [ 0.036524090000000, 0.158078820000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 62 coordinates: [ 0.036524090000000, 0.158078820000000, 0.250000000000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 63 coordinates: [ 0.036524090000000, 0.158078820000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 64 coordinates: [ 0.036524090000000, 0.158078820000000, 0.750000000000000 ] mass: 78.960000 reduced_to: 61 - symbol: Pd # 65 coordinates: [ 0.868920820000000, 0.279867850000000, 0.000000000000000 ] mass: 106.420000 reduced_to: 65 - symbol: Pd # 66 coordinates: [ 0.868920820000000, 0.279867850000000, 0.250000000000000 ] mass: 106.420000 reduced_to: 65 - symbol: Pd # 67 coordinates: [ 0.868920820000000, 0.279867850000000, 0.500000000000000 ] mass: 106.420000 reduced_to: 65 - symbol: Pd # 68 coordinates: [ 0.868920820000000, 0.279867850000000, 0.750000000000000 ] mass: 106.420000 reduced_to: 65 - symbol: Pd # 69 coordinates: [ 0.131079180000000, 0.720132150000000, 0.000000000000000 ] mass: 106.420000 reduced_to: 69 - symbol: Pd # 70 coordinates: [ 0.131079180000000, 0.720132150000000, 0.250000000000000 ] mass: 106.420000 reduced_to: 69 - symbol: Pd # 71 coordinates: [ 0.131079180000000, 0.720132150000000, 0.500000000000000 ] mass: 106.420000 reduced_to: 69 - symbol: Pd # 72 coordinates: [ 0.131079180000000, 0.720132150000000, 0.750000000000000 ] mass: 106.420000 reduced_to: 69 - symbol: Pd # 73 coordinates: [ 0.368920820000000, 0.220132150000000, 0.000000000000000 ] mass: 106.420000 reduced_to: 73 - symbol: Pd # 74 coordinates: [ 0.368920820000000, 0.220132150000000, 0.250000000000000 ] mass: 106.420000 reduced_to: 73 - symbol: Pd # 75 coordinates: [ 0.368920820000000, 0.220132150000000, 0.500000000000000 ] mass: 106.420000 reduced_to: 73 - symbol: Pd # 76 coordinates: [ 0.368920820000000, 0.220132150000000, 0.750000000000000 ] mass: 106.420000 reduced_to: 73 - symbol: Pd # 77 coordinates: [ 0.631079180000000, 0.779867850000000, 0.000000000000000 ] mass: 106.420000 reduced_to: 77 - symbol: Pd # 78 coordinates: [ 0.631079180000000, 0.779867850000000, 0.250000000000000 ] mass: 106.420000 reduced_to: 77 - symbol: Pd # 79 coordinates: [ 0.631079180000000, 0.779867850000000, 0.500000000000000 ] mass: 106.420000 reduced_to: 77 - symbol: Pd # 80 coordinates: [ 0.631079180000000, 0.779867850000000, 0.750000000000000 ] mass: 106.420000 reduced_to: 77 - symbol: Pd # 81 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 106.420000 reduced_to: 81 - symbol: Pd # 82 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 106.420000 reduced_to: 81 - symbol: Pd # 83 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 106.420000 reduced_to: 81 - symbol: Pd # 84 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 106.420000 reduced_to: 81 - symbol: Pd # 85 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 106.420000 reduced_to: 85 - symbol: Pd # 86 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 106.420000 reduced_to: 85 - symbol: Pd # 87 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 106.420000 reduced_to: 85 - symbol: Pd # 88 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 106.420000 reduced_to: 85 - symbol: Ta # 89 coordinates: [ 0.706845850000000, 0.380217860000000, 0.125000000000000 ] mass: 180.947880 reduced_to: 89 - symbol: Ta # 90 coordinates: [ 0.706845850000000, 0.380217860000000, 0.375000000000000 ] mass: 180.947880 reduced_to: 89 - symbol: Ta # 91 coordinates: [ 0.706845850000000, 0.380217860000000, 0.625000000000000 ] mass: 180.947880 reduced_to: 89 - symbol: Ta # 92 coordinates: [ 0.706845850000000, 0.380217860000000, 0.875000000000000 ] mass: 180.947880 reduced_to: 89 - symbol: Ta # 93 coordinates: [ 0.293154150000000, 0.619782140000000, 0.125000000000000 ] mass: 180.947880 reduced_to: 93 - symbol: Ta # 94 coordinates: [ 0.293154150000000, 0.619782140000000, 0.375000000000000 ] mass: 180.947880 reduced_to: 93 - symbol: Ta # 95 coordinates: [ 0.293154150000000, 0.619782140000000, 0.625000000000000 ] mass: 180.947880 reduced_to: 93 - symbol: Ta # 96 coordinates: [ 0.293154150000000, 0.619782140000000, 0.875000000000000 ] mass: 180.947880 reduced_to: 93 - symbol: Ta # 97 coordinates: [ 0.206845850000000, 0.119782140000000, 0.125000000000000 ] mass: 180.947880 reduced_to: 97 - symbol: Ta # 98 coordinates: [ 0.206845850000000, 0.119782140000000, 0.375000000000000 ] mass: 180.947880 reduced_to: 97 - symbol: Ta # 99 coordinates: [ 0.206845850000000, 0.119782140000000, 0.625000000000000 ] mass: 180.947880 reduced_to: 97 - symbol: Ta # 100 coordinates: [ 0.206845850000000, 0.119782140000000, 0.875000000000000 ] mass: 180.947880 reduced_to: 97 - symbol: Ta # 101 coordinates: [ 0.793154150000000, 0.880217860000000, 0.125000000000000 ] mass: 180.947880 reduced_to: 101 - symbol: Ta # 102 coordinates: [ 0.793154150000000, 0.880217860000000, 0.375000000000000 ] mass: 180.947880 reduced_to: 101 - symbol: Ta # 103 coordinates: [ 0.793154150000000, 0.880217860000000, 0.625000000000000 ] mass: 180.947880 reduced_to: 101 - symbol: Ta # 104 coordinates: [ 0.793154150000000, 0.880217860000000, 0.875000000000000 ] mass: 180.947880 reduced_to: 101born_effective_charge:- # 1 (Se) - [ -0.952039380000000, -0.112391280000000, 0.000000000000000 ] - [ 0.313861390000000, -0.193078060000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.062394210000000 ]- # 2 (Se) - [ -0.952039380000000, -0.112391280000000, 0.000000000000000 ] - [ 0.313861390000000, -0.193078060000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.062394210000000 ]- # 3 (Se) - [ -0.952039380000000, 0.112391280000000, 0.000000000000000 ] - [ -0.313861390000000, -0.193078060000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.062394210000000 ]- # 4 (Se) - [ -0.952039380000000, 0.112391280000000, 0.000000000000000 ] - [ -0.313861390000000, -0.193078060000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.062394210000000 ]- # 5 (Se) - [ 0.497884110000000, 0.382482330000000, 0.000000000000000 ] - [ 0.234579030000000, -0.154855510000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.258610650000000 ]- # 6 (Se) - [ 0.497884110000000, 0.382482330000000, 0.000000000000000 ] - [ 0.234579030000000, -0.154855510000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.258610650000000 ]- # 7 (Se) - [ 0.497884110000000, -0.382482330000000, 0.000000000000000 ] - [ -0.234579030000000, -0.154855510000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.258610650000000 ]- # 8 (Se) - [ 0.497884110000000, -0.382482330000000, 0.000000000000000 ] - [ -0.234579030000000, -0.154855510000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.258610650000000 ]- # 9 (Se) - [ 0.065967970000000, 0.122560150000000, 0.000000000000000 ] - [ -0.448547140000000, -0.297307360000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.832320160000000 ]- # 10 (Se) - [ 0.065967970000000, 0.122560150000000, 0.000000000000000 ] - [ -0.448547140000000, -0.297307360000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.832320160000000 ]- # 11 (Se) - [ -0.353502460000000, -0.037678830000000, 0.000000000000000 ] - [ -0.741597670000000, -0.647414060000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.481970880000000 ]- # 12 (Se) - [ -0.353502460000000, -0.037678830000000, 0.000000000000000 ] - [ -0.741597670000000, -0.647414060000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.481970880000000 ]- # 13 (Se) - [ -0.353502460000000, 0.037678830000000, 0.000000000000000 ] - [ 0.741597670000000, -0.647414060000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.481970880000000 ]- # 14 (Se) - [ -0.353502460000000, 0.037678830000000, 0.000000000000000 ] - [ 0.741597670000000, -0.647414060000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.481970880000000 ]- # 15 (Se) - [ 0.065967970000000, -0.122560150000000, 0.000000000000000 ] - [ 0.448547140000000, -0.297307360000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.832320160000000 ]- # 16 (Se) - [ 0.065967970000000, -0.122560150000000, 0.000000000000000 ] - [ 0.448547140000000, -0.297307360000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.832320160000000 ]- # 17 (Pd) - [ -0.802560710000000, 0.058485510000000, 0.000000000000000 ] - [ 0.162350390000000, -0.645142060000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.630701970000000 ]- # 18 (Pd) - [ -0.802560710000000, 0.058485510000000, 0.000000000000000 ] - [ 0.162350390000000, -0.645142060000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.630701970000000 ]- # 19 (Pd) - [ -0.802560710000000, -0.058485510000000, 0.000000000000000 ] - [ -0.162350390000000, -0.645142060000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.630701970000000 ]- # 20 (Pd) - [ -0.802560710000000, -0.058485510000000, 0.000000000000000 ] - [ -0.162350390000000, -0.645142060000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 0.630701970000000 ]- # 21 (Pd) - [ -1.737841310000000, -0.069603520000000, 0.000000000000000 ] - [ -0.551590450000000, -0.585623590000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.645002610000000 ]- # 22 (Pd) - [ -1.737841310000000, 0.069603520000000, 0.000000000000000 ] - [ 0.551590450000000, -0.585623590000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -1.645002610000000 ]- # 23 (Ta) - [ 2.413171110000000, -1.259252920000000, 0.000000000000000 ] - [ -1.325679320000000, 2.230608840000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.827095240000000 ]- # 24 (Ta) - [ 2.413171110000000, -1.259252920000000, 0.000000000000000 ] - [ -1.325679320000000, 2.230608840000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.827095240000000 ]- # 25 (Ta) - [ 2.413171110000000, 1.259252920000000, 0.000000000000000 ] - [ 1.325679320000000, 2.230608840000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.827095240000000 ]- # 26 (Ta) - [ 2.413171110000000, 1.259252920000000, 0.000000000000000 ] - [ 1.325679320000000, 2.230608840000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.827095240000000 ]dielectric_constant: - [ 15.713900890000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 14.485221120000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 19.867448599999999 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0861112300000000, 0.0002581000000000, 0.0000000000000000 ] - [ 0.0147768900000000, 0.0283334400000000, -0.0007773700000000 ] - [ 0.0156201300000000, 0.0286528700000000, 0.0000000000000000 ] - [ 0.0147768900000000, 0.0283334400000000, 0.0007773700000000 ] - [ -0.0158767500000000, -0.0291711100000000, 0.0000000000000000 ] - [ -0.0159975700000000, -0.0290721000000000, 0.0000813900000000 ] - [ -0.0159658500000000, -0.0290915500000000, 0.0000000000000000 ] - [ -0.0159975700000000, -0.0290721000000000, -0.0000813900000000 ] - [ 0.0150864600000000, -0.0285963500000000, 0.0000000000000000 ] - [ 0.0165568100000000, -0.0296535000000000, 0.0006881800000000 ] - [ 0.0162474100000000, -0.0291135600000000, 0.0000000000000000 ] - [ 0.0165568100000000, -0.0296535000000000, -0.0006881800000000 ] - [ -0.0159503700000000, 0.0290797100000000, 0.0000000000000000 ] - [ -0.0159676800000000, 0.0290477800000000, 0.0000126700000000 ] - [ -0.0160406100000000, 0.0290820900000000, 0.0000000000000000 ] - [ -0.0159676800000000, 0.0290477800000000, -0.0000126700000000 ] - [ -0.0135717500000000, 0.0134050000000000, 0.0000000000000000 ] - [ -0.0154709000000000, 0.0068999500000000, -0.0045974700000000 ] - [ -0.0174611800000000, 0.0047169500000000, 0.0000000000000000 ] - [ -0.0154709000000000, 0.0068999500000000, 0.0045974700000000 ] - [ 0.0168190700000000, -0.0048315800000000, 0.0000000000000000 ] - [ 0.0169051500000000, -0.0047227600000000, 0.0001730900000000 ] - [ 0.0168828300000000, -0.0048266400000000, 0.0000000000000000 ] - [ 0.0169051500000000, -0.0047227600000000, -0.0001730900000000 ] - [ -0.0164715700000000, -0.0046005100000000, 0.0000000000000000 ] - [ -0.0172619200000000, -0.0046618900000000, 0.0003680700000000 ] - [ -0.0168184100000000, -0.0049415000000000, 0.0000000000000000 ] - [ -0.0172619200000000, -0.0046618900000000, -0.0003680700000000 ] - [ 0.0166516500000000, 0.0046656300000000, 0.0000000000000000 ] - [ 0.0168243900000000, 0.0048608900000000, 0.0000316600000000 ] - [ 0.0169193000000000, 0.0048795800000000, 0.0000000000000000 ] - [ 0.0168243900000000, 0.0048608900000000, -0.0000316600000000 ] - [ 0.0043032800000000, -0.0038194700000000, 0.0046242600000000 ] - [ 0.0043032800000000, -0.0038194700000000, -0.0046242600000000 ] - [ 0.0028484400000000, -0.0047324600000000, -0.0002416400000000 ] - [ 0.0028484400000000, -0.0047324600000000, 0.0002416400000000 ] - [ -0.0029790700000000, 0.0045382400000000, -0.0000122600000000 ] - [ -0.0029790700000000, 0.0045382400000000, 0.0000122600000000 ] - [ -0.0031239400000000, 0.0044337400000000, -0.0000187300000000 ] - [ -0.0031239400000000, 0.0044337400000000, 0.0000187300000000 ] - [ -0.0041069200000000, 0.0049614400000000, 0.0000782000000000 ] - [ -0.0041069200000000, 0.0049614400000000, -0.0000782000000000 ] - [ -0.0040839400000000, 0.0049680900000000, -0.0000607100000000 ] - [ -0.0040839400000000, 0.0049680900000000, 0.0000607100000000 ] - [ 0.0038655900000000, -0.0049801400000000, -0.0000372000000000 ] - [ 0.0038655900000000, -0.0049801400000000, 0.0000372000000000 ] - [ 0.0039133700000000, -0.0048108000000000, 0.0000317800000000 ] - [ 0.0039133700000000, -0.0048108000000000, -0.0000317800000000 ] - [ -0.0044702000000000, -0.0051748300000000, 0.0001628800000000 ] - [ -0.0044702000000000, -0.0051748300000000, -0.0001628800000000 ] - [ -0.0039912400000000, -0.0049020600000000, 0.0000206700000000 ] - [ -0.0039912400000000, -0.0049020600000000, -0.0000206700000000 ] - [ 0.0053894500000000, 0.0023157800000000, 0.0027988100000000 ] - [ 0.0053894500000000, 0.0023157800000000, -0.0027988100000000 ] - [ 0.0040825700000000, 0.0049720800000000, -0.0000465900000000 ] - [ 0.0040825700000000, 0.0049720800000000, 0.0000465900000000 ] - [ -0.0032187800000000, -0.0045837500000000, 0.0000189500000000 ] - [ -0.0032187800000000, -0.0045837500000000, -0.0000189500000000 ] - [ -0.0030557100000000, -0.0045007900000000, 0.0000128700000000 ] - [ -0.0030557100000000, -0.0045007900000000, -0.0000128700000000 ] - [ 0.0027844500000000, 0.0029359600000000, -0.0008099500000000 ] - [ 0.0027844500000000, 0.0029359600000000, 0.0008099500000000 ] - [ 0.0031378000000000, 0.0044079000000000, 0.0000096200000000 ] - [ 0.0031378000000000, 0.0044079000000000, -0.0000096200000000 ] - [ -0.0246737600000000, 0.0258229800000000, 0.0115877300000000 ] - [ -0.0246737600000000, 0.0258229800000000, -0.0115877300000000 ] - [ -0.0367109900000000, 0.0116741200000000, -0.0002425200000000 ] - [ -0.0367109900000000, 0.0116741200000000, 0.0002425200000000 ] - [ 0.0368395200000000, -0.0120383900000000, 0.0001023300000000 ] - [ 0.0368395200000000, -0.0120383900000000, -0.0001023300000000 ] - [ 0.0367312500000000, -0.0120060400000000, -0.0001259600000000 ] - [ 0.0367312500000000, -0.0120060400000000, 0.0001259600000000 ] - [ -0.0359776400000000, -0.0122661300000000, -0.0000962900000000 ] - [ -0.0359776400000000, -0.0122661300000000, 0.0000962900000000 ] - [ -0.0368842100000000, -0.0118113300000000, -0.0002248700000000 ] - [ -0.0368842100000000, -0.0118113300000000, 0.0002248700000000 ] - [ 0.0367300900000000, 0.0119152000000000, -0.0000004000000000 ] - [ 0.0367300900000000, 0.0119152000000000, 0.0000004000000000 ] - [ 0.0367381500000000, 0.0119857200000000, -0.0000497100000000 ] - [ 0.0367381500000000, 0.0119857200000000, 0.0000497100000000 ] - [ 0.0003559300000000, -0.0000395200000000, -0.0004083900000000 ] - [ 0.0003559300000000, -0.0000395200000000, 0.0004083900000000 ] - [ 0.0001383300000000, 0.0000644800000000, -0.0001148400000000 ] - [ 0.0001383300000000, 0.0000644800000000, 0.0001148400000000 ] - [ 0.0004953900000000, 0.0000052600000000, -0.0000599600000000 ] - [ 0.0004953900000000, 0.0000052600000000, 0.0000599600000000 ] - [ -0.0000477000000000, -0.0000391500000000, 0.0000511300000000 ] - [ -0.0000477000000000, -0.0000391500000000, -0.0000511300000000 ] - [ 0.1082486100000000, -0.0498372500000000, 0.0000000000000000 ] - [ 0.0424494100000000, -0.0437114300000000, -0.0003485700000000 ] - [ 0.0413390100000000, -0.0451202700000000, 0.0000000000000000 ] - [ 0.0424494100000000, -0.0437114300000000, 0.0003485700000000 ] - [ -0.0417033000000000, 0.0455506600000000, 0.0000000000000000 ] - [ -0.0413453500000000, 0.0452592500000000, -0.0001346100000000 ] - [ -0.0413860500000000, 0.0454727400000000, 0.0000000000000000 ] - [ -0.0413453500000000, 0.0452592500000000, 0.0001346100000000 ] - [ 0.0414620900000000, 0.0455264600000000, 0.0000000000000000 ] - [ 0.0414445800000000, 0.0455217100000000, -0.0002787800000000 ] - [ 0.0412777400000000, 0.0452682100000000, 0.0000000000000000 ] - [ 0.0414445800000000, 0.0455217100000000, 0.0002787800000000 ] - [ -0.0412159500000000, -0.0453200400000000, 0.0000000000000000 ] - [ -0.0412725600000000, -0.0452550500000000, -0.0001277900000000 ] - [ -0.0413227800000000, -0.0453924800000000, 0.0000000000000000 ] - [ -0.0412725600000000, -0.0452550500000000, 0.0001277900000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1216645100000000, 0.0582181900000000, 0.0000000000000000 ] - [ 0.0172573300000000, 0.0297719400000000, 0.0007608900000000 ] - [ 0.0164015000000000, 0.0294522900000000, 0.0000000000000000 ] - [ 0.0172573300000000, 0.0297719400000000, -0.0007608900000000 ] - [ -0.0161454000000000, -0.0289491000000000, 0.0000000000000000 ] - [ -0.0160258900000000, -0.0290427900000000, -0.0000804700000000 ] - [ -0.0160572900000000, -0.0290206200000000, 0.0000000000000000 ] - [ -0.0160258900000000, -0.0290427900000000, 0.0000804700000000 ] - [ 0.0169246100000000, -0.0295029700000000, 0.0000000000000000 ] - [ 0.0154817900000000, -0.0284767100000000, -0.0006631800000000 ] - [ 0.0157797700000000, -0.0289993200000000, 0.0000000000000000 ] - [ 0.0154817900000000, -0.0284767100000000, 0.0006631800000000 ] - [ -0.0160721400000000, 0.0290311100000000, 0.0000000000000000 ] - [ -0.0160550100000000, 0.0290636200000000, -0.0000147300000000 ] - [ -0.0159804800000000, 0.0290283200000000, 0.0000000000000000 ] - [ -0.0160550100000000, 0.0290636200000000, 0.0000147300000000 ] - [ -0.0200929000000000, -0.0037587600000000, 0.0000000000000000 ] - [ -0.0181898400000000, 0.0028720100000000, 0.0046299900000000 ] - [ -0.0161950000000000, 0.0050381800000000, 0.0000000000000000 ] - [ -0.0181898400000000, 0.0028720100000000, -0.0046299900000000 ] - [ 0.0168240000000000, -0.0049369400000000, 0.0000000000000000 ] - [ 0.0167413900000000, -0.0050424400000000, -0.0001709600000000 ] - [ 0.0167646200000000, -0.0049398700000000, 0.0000000000000000 ] - [ 0.0167413900000000, -0.0050424400000000, 0.0001709600000000 ] - [ -0.0171682400000000, -0.0051558700000000, 0.0000000000000000 ] - [ -0.0163934600000000, -0.0050982900000000, -0.0003571700000000 ] - [ -0.0168291100000000, -0.0048253500000000, 0.0000000000000000 ] - [ -0.0163934600000000, -0.0050982900000000, 0.0003571700000000 ] - [ 0.0169930400000000, 0.0051014600000000, 0.0000000000000000 ] - [ 0.0168218300000000, 0.0049054300000000, -0.0000320200000000 ] - [ 0.0167261900000000, 0.0048867900000000, 0.0000000000000000 ] - [ 0.0168218300000000, 0.0049054300000000, 0.0000320200000000 ] - [ 0.0018116900000000, -0.0051596700000000, -0.0046689900000000 ] - [ 0.0018116900000000, -0.0051596700000000, 0.0046689900000000 ] - [ 0.0032971400000000, -0.0042108000000000, 0.0002448700000000 ] - [ 0.0032971400000000, -0.0042108000000000, -0.0002448700000000 ] - [ -0.0031727900000000, 0.0044042100000000, 0.0000133000000000 ] - [ -0.0031727900000000, 0.0044042100000000, -0.0000133000000000 ] - [ -0.0030259600000000, 0.0045096700000000, 0.0000178100000000 ] - [ -0.0030259600000000, 0.0045096700000000, -0.0000178100000000 ] - [ -0.0039056200000000, 0.0049470500000000, -0.0000763500000000 ] - [ -0.0039056200000000, 0.0049470500000000, 0.0000763500000000 ] - [ -0.0039291600000000, 0.0049390200000000, 0.0000599500000000 ] - [ -0.0039291600000000, 0.0049390200000000, -0.0000599500000000 ] - [ 0.0041412400000000, -0.0049283700000000, 0.0000372300000000 ] - [ 0.0041412400000000, -0.0049283700000000, -0.0000372300000000 ] - [ 0.0040959900000000, -0.0050949600000000, -0.0000304600000000 ] - [ 0.0040959900000000, -0.0050949600000000, 0.0000304600000000 ] - [ -0.0035384000000000, -0.0047363300000000, -0.0001636300000000 ] - [ -0.0035384000000000, -0.0047363300000000, 0.0001636300000000 ] - [ -0.0040193500000000, -0.0050047800000000, -0.0000213600000000 ] - [ -0.0040193500000000, -0.0050047800000000, 0.0000213600000000 ] - [ 0.0026362800000000, 0.0076288100000000, -0.0028253400000000 ] - [ 0.0026362800000000, 0.0076288100000000, 0.0028253400000000 ] - [ 0.0039324900000000, 0.0049388400000000, 0.0000458400000000 ] - [ 0.0039324900000000, 0.0049388400000000, -0.0000458400000000 ] - [ -0.0029276000000000, -0.0043578000000000, -0.0000194000000000 ] - [ -0.0029276000000000, -0.0043578000000000, 0.0000194000000000 ] - [ -0.0030928200000000, -0.0044430300000000, -0.0000136700000000 ] - [ -0.0030928200000000, -0.0044430300000000, 0.0000136700000000 ] - [ 0.0033664800000000, 0.0060243400000000, 0.0008247900000000 ] - [ 0.0033664800000000, 0.0060243400000000, -0.0008247900000000 ] - [ 0.0030130200000000, 0.0045335200000000, -0.0000105600000000 ] - [ 0.0030130200000000, 0.0045335200000000, 0.0000105600000000 ] - [ -0.0487357000000000, -0.0019968900000000, -0.0116915800000000 ] - [ -0.0487357000000000, -0.0019968900000000, 0.0116915800000000 ] - [ -0.0367390800000000, 0.0122739600000000, 0.0002412800000000 ] - [ -0.0367390800000000, 0.0122739600000000, -0.0002412800000000 ] - [ 0.0366183000000000, -0.0118986700000000, -0.0000983600000000 ] - [ 0.0366183000000000, -0.0118986700000000, 0.0000983600000000 ] - [ 0.0367225000000000, -0.0119329300000000, 0.0001247500000000 ] - [ 0.0367225000000000, -0.0119329300000000, -0.0001247500000000 ] - [ -0.0374606400000000, -0.0116805100000000, 0.0000834500000000 ] - [ -0.0374606400000000, -0.0116805100000000, -0.0000834500000000 ] - [ -0.0365714100000000, -0.0121256200000000, 0.0002114200000000 ] - [ -0.0365714100000000, -0.0121256200000000, -0.0002114200000000 ] - [ 0.0367224600000000, 0.0120229700000000, 0.0000005500000000 ] - [ 0.0367224600000000, 0.0120229700000000, -0.0000005500000000 ] - [ 0.0367143800000000, 0.0119525200000000, 0.0000495500000000 ] - [ 0.0367143800000000, 0.0119525200000000, -0.0000495500000000 ] - [ -0.0003570300000000, 0.0000421300000000, 0.0004061300000000 ] - [ -0.0003570300000000, 0.0000421300000000, -0.0004061300000000 ] - [ -0.0001381600000000, -0.0000655000000000, 0.0001130200000000 ] - [ -0.0001381600000000, -0.0000655000000000, -0.0001130200000000 ] - [ -0.0005002600000000, -0.0000044700000000, 0.0000581600000000 ] - [ -0.0005002600000000, -0.0000044700000000, -0.0000581600000000 ] - [ 0.0000476000000000, 0.0000380000000000, -0.0000501000000000 ] - [ 0.0000476000000000, 0.0000380000000000, 0.0000501000000000 ] - [ -0.0292340300000000, -0.0408861200000000, 0.0000000000000000 ] - [ 0.0401116900000000, -0.0470469000000000, 0.0003533000000000 ] - [ 0.0412391000000000, -0.0456167800000000, 0.0000000000000000 ] - [ 0.0401116900000000, -0.0470469000000000, -0.0003533000000000 ] - [ -0.0408812100000000, 0.0451987800000000, 0.0000000000000000 ] - [ -0.0412379900000000, 0.0454759400000000, 0.0001379400000000 ] - [ -0.0411956800000000, 0.0452584500000000, 0.0000000000000000 ] - [ -0.0412379900000000, 0.0454759400000000, -0.0001379400000000 ] - [ 0.0411490600000000, 0.0451841000000000, 0.0000000000000000 ] - [ 0.0411382800000000, 0.0452150400000000, 0.0002750600000000 ] - [ 0.0413028500000000, 0.0454623500000000, 0.0000000000000000 ] - [ 0.0411382800000000, 0.0452150400000000, -0.0002750600000000 ] - [ -0.0413619200000000, -0.0454101200000000, 0.0000000000000000 ] - [ -0.0413061800000000, -0.0454727100000000, 0.0001306400000000 ] - [ -0.0412549400000000, -0.0453359300000000, 0.0000000000000000 ] - [ -0.0413061800000000, -0.0454727100000000, -0.0001306400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0126282400000000, -0.0372378000000000, 0.0000000000000000 ] - [ 0.0153064600000000, 0.0263981100000000, -0.0007107900000000 ] - [ 0.0156106200000000, 0.0281508100000000, 0.0000000000000000 ] - [ 0.0153064600000000, 0.0263981100000000, 0.0007107900000000 ] - [ -0.0161307600000000, -0.0286016500000000, 0.0000000000000000 ] - [ -0.0160281600000000, -0.0290579100000000, 0.0001058000000000 ] - [ -0.0160564100000000, -0.0289977900000000, 0.0000000000000000 ] - [ -0.0160281600000000, -0.0290579100000000, -0.0001058000000000 ] - [ 0.0155735500000000, -0.0292292400000000, 0.0000000000000000 ] - [ 0.0166118900000000, -0.0287133000000000, -0.0001327800000000 ] - [ 0.0160826600000000, -0.0290607100000000, 0.0000000000000000 ] - [ 0.0166118900000000, -0.0287133000000000, 0.0001327800000000 ] - [ -0.0160464000000000, 0.0289856100000000, 0.0000000000000000 ] - [ -0.0160106700000000, 0.0290322800000000, -0.0000315800000000 ] - [ -0.0160538000000000, 0.0289756100000000, 0.0000000000000000 ] - [ -0.0160106700000000, 0.0290322800000000, 0.0000315800000000 ] - [ -0.0116417200000000, 0.0096925100000000, 0.0000000000000000 ] - [ -0.0151633100000000, 0.0061469100000000, -0.0051044700000000 ] - [ -0.0177091600000000, 0.0041336800000000, 0.0000000000000000 ] - [ -0.0151633100000000, 0.0061469100000000, 0.0051044700000000 ] - [ 0.0166827800000000, -0.0049040700000000, 0.0000000000000000 ] - [ 0.0169302300000000, -0.0048890900000000, 0.0001311300000000 ] - [ 0.0168543800000000, -0.0048184000000000, 0.0000000000000000 ] - [ 0.0169302300000000, -0.0048890900000000, -0.0001311300000000 ] - [ -0.0176426700000000, -0.0052208700000000, 0.0000000000000000 ] - [ -0.0168020900000000, -0.0049327400000000, 0.0000424200000000 ] - [ -0.0168660900000000, -0.0049119200000000, 0.0000000000000000 ] - [ -0.0168020900000000, -0.0049327400000000, -0.0000424200000000 ] - [ 0.0167809800000000, 0.0050791400000000, 0.0000000000000000 ] - [ 0.0168070400000000, 0.0049108000000000, -0.0000213300000000 ] - [ 0.0168901700000000, 0.0048587600000000, 0.0000000000000000 ] - [ 0.0168070400000000, 0.0049108000000000, 0.0000213300000000 ] - [ 0.0032702400000000, -0.0041948500000000, -0.0006690000000000 ] - [ 0.0032702400000000, -0.0041948500000000, 0.0006690000000000 ] - [ 0.0031617300000000, -0.0048835400000000, 0.0004162700000000 ] - [ 0.0031617300000000, -0.0048835400000000, -0.0004162700000000 ] - [ -0.0029186000000000, 0.0044474800000000, 0.0000453800000000 ] - [ -0.0029186000000000, 0.0044474800000000, -0.0000453800000000 ] - [ -0.0031158800000000, 0.0043936100000000, 0.0000274300000000 ] - [ -0.0031158800000000, 0.0043936100000000, -0.0000274300000000 ] - [ -0.0039986000000000, 0.0049478700000000, -0.0000417600000000 ] - [ -0.0039986000000000, 0.0049478700000000, 0.0000417600000000 ] - [ -0.0039906200000000, 0.0050591000000000, -0.0000039300000000 ] - [ -0.0039906200000000, 0.0050591000000000, 0.0000039300000000 ] - [ 0.0040349800000000, -0.0049440800000000, 0.0000062500000000 ] - [ 0.0040349800000000, -0.0049440800000000, -0.0000062500000000 ] - [ 0.0040397600000000, -0.0050313800000000, 0.0000524100000000 ] - [ 0.0040397600000000, -0.0050313800000000, -0.0000524100000000 ] - [ -0.0044548000000000, -0.0047726600000000, 0.0003118700000000 ] - [ -0.0044548000000000, -0.0047726600000000, -0.0003118700000000 ] - [ -0.0039401900000000, -0.0048977100000000, -0.0000149900000000 ] - [ -0.0039401900000000, -0.0048977100000000, 0.0000149900000000 ] - [ 0.0003337500000000, 0.0057863900000000, -0.0026463100000000 ] - [ 0.0003337500000000, 0.0057863900000000, 0.0026463100000000 ] - [ 0.0042098100000000, 0.0050657000000000, -0.0000216900000000 ] - [ 0.0042098100000000, 0.0050657000000000, 0.0000216900000000 ] - [ -0.0030502500000000, -0.0044106300000000, -0.0000410600000000 ] - [ -0.0030502500000000, -0.0044106300000000, 0.0000410600000000 ] - [ -0.0030941900000000, -0.0044555500000000, -0.0000022600000000 ] - [ -0.0030941900000000, -0.0044555500000000, 0.0000022600000000 ] - [ 0.0025790200000000, 0.0068261300000000, 0.0013318000000000 ] - [ 0.0025790200000000, 0.0068261300000000, -0.0013318000000000 ] - [ 0.0031902500000000, 0.0045039500000000, -0.0000228800000000 ] - [ 0.0031902500000000, 0.0045039500000000, 0.0000228800000000 ] - [ -0.0247478000000000, 0.0399208500000000, 0.0213228400000000 ] - [ -0.0247478000000000, 0.0399208500000000, -0.0213228400000000 ] - [ -0.0361715600000000, 0.0124869000000000, 0.0000724700000000 ] - [ -0.0361715600000000, 0.0124869000000000, -0.0000724700000000 ] - [ 0.0365662900000000, -0.0117775900000000, -0.0000509400000000 ] - [ 0.0365662900000000, -0.0117775900000000, 0.0000509400000000 ] - [ 0.0366524300000000, -0.0120027800000000, -0.0000746400000000 ] - [ 0.0366524300000000, -0.0120027800000000, 0.0000746400000000 ] - [ -0.0370386400000000, -0.0117046100000000, 0.0001079500000000 ] - [ -0.0370386400000000, -0.0117046100000000, -0.0001079500000000 ] - [ -0.0367040700000000, -0.0120498100000000, 0.0000019900000000 ] - [ -0.0367040700000000, -0.0120498100000000, -0.0000019900000000 ] - [ 0.0367201500000000, 0.0120035500000000, -0.0000252500000000 ] - [ 0.0367201500000000, 0.0120035500000000, 0.0000252500000000 ] - [ 0.0366882300000000, 0.0119922700000000, 0.0000662300000000 ] - [ 0.0366882300000000, 0.0119922700000000, -0.0000662300000000 ] - [ 0.0000004300000000, 0.0005685400000000, -0.0005576500000000 ] - [ 0.0000004300000000, 0.0005685400000000, 0.0005576500000000 ] - [ 0.0001072700000000, 0.0001046400000000, -0.0000715800000000 ] - [ 0.0001072700000000, 0.0001046400000000, 0.0000715800000000 ] - [ -0.0000111600000000, -0.0000650100000000, -0.0000579700000000 ] - [ -0.0000111600000000, -0.0000650100000000, 0.0000579700000000 ] - [ -0.0000002500000000, 0.0000007700000000, 0.0000110800000000 ] - [ -0.0000002500000000, 0.0000007700000000, -0.0000110800000000 ] - [ 0.0493830800000000, -0.0454139000000000, 0.0000000000000000 ] - [ 0.0405678400000000, -0.0444347800000000, -0.0011802800000000 ] - [ 0.0407898200000000, -0.0453243700000000, 0.0000000000000000 ] - [ 0.0405678400000000, -0.0444347800000000, 0.0011802800000000 ] - [ -0.0410095400000000, 0.0443930000000000, 0.0000000000000000 ] - [ -0.0413016900000000, 0.0452394000000000, -0.0001976200000000 ] - [ -0.0412210500000000, 0.0453654200000000, 0.0000000000000000 ] - [ -0.0413016900000000, 0.0452394000000000, 0.0001976200000000 ] - [ 0.0422695000000000, 0.0442525300000000, 0.0000000000000000 ] - [ 0.0407712700000000, 0.0454073500000000, -0.0003455800000000 ] - [ 0.0411309500000000, 0.0455191500000000, 0.0000000000000000 ] - [ 0.0407712700000000, 0.0454073500000000, 0.0003455800000000 ] - [ -0.0413372100000000, -0.0454077400000000, 0.0000000000000000 ] - [ -0.0412173300000000, -0.0454495600000000, -0.0002093900000000 ] - [ -0.0412838100000000, -0.0454277300000000, 0.0000000000000000 ] - [ -0.0412173300000000, -0.0454495600000000, 0.0002093900000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0453343600000000, 0.0965686900000000, 0.0000000000000000 ] - [ 0.0167370000000000, 0.0317521700000000, 0.0007010800000000 ] - [ 0.0164066000000000, 0.0299520400000000, 0.0000000000000000 ] - [ 0.0167370000000000, 0.0317521700000000, -0.0007010800000000 ] - [ -0.0159000700000000, -0.0294978800000000, 0.0000000000000000 ] - [ -0.0159956700000000, -0.0290567600000000, -0.0001085400000000 ] - [ -0.0159765700000000, -0.0291187100000000, 0.0000000000000000 ] - [ -0.0159956700000000, -0.0290567600000000, 0.0001085400000000 ] - [ 0.0164664700000000, -0.0288795200000000, 0.0000000000000000 ] - [ 0.0154269200000000, -0.0294015300000000, 0.0001375300000000 ] - [ 0.0159560400000000, -0.0290506400000000, 0.0000000000000000 ] - [ 0.0154269200000000, -0.0294015300000000, -0.0001375300000000 ] - [ -0.0159864600000000, 0.0291172800000000, 0.0000000000000000 ] - [ -0.0160189700000000, 0.0290741400000000, 0.0000260800000000 ] - [ -0.0159859900000000, 0.0291351300000000, 0.0000000000000000 ] - [ -0.0160189700000000, 0.0290741400000000, -0.0000260800000000 ] - [ -0.0220527400000000, 0.0000227600000000, 0.0000000000000000 ] - [ -0.0185160900000000, 0.0036364000000000, 0.0051613900000000 ] - [ -0.0159463900000000, 0.0056160800000000, 0.0000000000000000 ] - [ -0.0185160900000000, 0.0036364000000000, -0.0051613900000000 ] - [ 0.0169569500000000, -0.0048594400000000, 0.0000000000000000 ] - [ 0.0167140400000000, -0.0048781000000000, -0.0001325700000000 ] - [ 0.0167914400000000, -0.0049379500000000, 0.0000000000000000 ] - [ 0.0167140400000000, -0.0048781000000000, 0.0001325700000000 ] - [ -0.0160053300000000, -0.0045069200000000, 0.0000000000000000 ] - [ -0.0168419800000000, -0.0048181500000000, -0.0000422700000000 ] - [ -0.0167742700000000, -0.0048368400000000, 0.0000000000000000 ] - [ -0.0168419800000000, -0.0048181500000000, 0.0000422700000000 ] - [ 0.0168533400000000, 0.0046739300000000, 0.0000000000000000 ] - [ 0.0168305400000000, 0.0048469300000000, 0.0000162300000000 ] - [ 0.0167490400000000, 0.0048886600000000, 0.0000000000000000 ] - [ 0.0168305400000000, 0.0048469300000000, -0.0000162300000000 ] - [ 0.0028814200000000, -0.0047323200000000, 0.0006991600000000 ] - [ 0.0028814200000000, -0.0047323200000000, -0.0006991600000000 ] - [ 0.0029814100000000, -0.0040524500000000, -0.0004145600000000 ] - [ 0.0029814100000000, -0.0040524500000000, 0.0004145600000000 ] - [ -0.0032215200000000, 0.0044949000000000, -0.0000488800000000 ] - [ -0.0032215200000000, 0.0044949000000000, 0.0000488800000000 ] - [ -0.0030286500000000, 0.0045472200000000, -0.0000321100000000 ] - [ -0.0030286500000000, 0.0045472200000000, 0.0000321100000000 ] - [ -0.0040215700000000, 0.0049792700000000, 0.0000397600000000 ] - [ -0.0040215700000000, 0.0049792700000000, -0.0000397600000000 ] - [ -0.0040280500000000, 0.0048701000000000, -0.0000017400000000 ] - [ -0.0040280500000000, 0.0048701000000000, 0.0000017400000000 ] - [ 0.0039818500000000, -0.0049858200000000, -0.0000081500000000 ] - [ 0.0039818500000000, -0.0049858200000000, 0.0000081500000000 ] - [ 0.0039784000000000, -0.0048960300000000, -0.0000564700000000 ] - [ 0.0039784000000000, -0.0048960300000000, 0.0000564700000000 ] - [ -0.0035699600000000, -0.0051426600000000, -0.0003095700000000 ] - [ -0.0035699600000000, -0.0051426600000000, 0.0003095700000000 ] - [ -0.0040765600000000, -0.0050219100000000, 0.0000104400000000 ] - [ -0.0040765600000000, -0.0050219100000000, -0.0000104400000000 ] - [ 0.0076583200000000, 0.0041293400000000, 0.0026331000000000 ] - [ 0.0076583200000000, 0.0041293400000000, -0.0026331000000000 ] - [ 0.0038078000000000, 0.0048522800000000, 0.0000215700000000 ] - [ 0.0038078000000000, 0.0048522800000000, -0.0000215700000000 ] - [ -0.0030858000000000, -0.0045343600000000, 0.0000386500000000 ] - [ -0.0030858000000000, -0.0045343600000000, -0.0000386500000000 ] - [ -0.0030430800000000, -0.0044865000000000, -0.0000011200000000 ] - [ -0.0030430800000000, -0.0044865000000000, 0.0000011200000000 ] - [ 0.0035710500000000, 0.0020709100000000, -0.0013644000000000 ] - [ 0.0035710500000000, 0.0020709100000000, 0.0013644000000000 ] - [ 0.0029445000000000, 0.0044404900000000, 0.0000183000000000 ] - [ 0.0029445000000000, 0.0044404900000000, -0.0000183000000000 ] - [ -0.0491353400000000, -0.0166370700000000, -0.0220598700000000 ] - [ -0.0491353400000000, -0.0166370700000000, 0.0220598700000000 ] - [ -0.0372728800000000, 0.0114684200000000, -0.0000934600000000 ] - [ -0.0372728800000000, 0.0114684200000000, 0.0000934600000000 ] - [ 0.0368893900000000, -0.0121633800000000, 0.0000481800000000 ] - [ 0.0368893900000000, -0.0121633800000000, -0.0000481800000000 ] - [ 0.0368050800000000, -0.0119420400000000, 0.0000692800000000 ] - [ 0.0368050800000000, -0.0119420400000000, -0.0000692800000000 ] - [ -0.0364100400000000, -0.0122326100000000, -0.0001104800000000 ] - [ -0.0364100400000000, -0.0122326100000000, 0.0001104800000000 ] - [ -0.0367521200000000, -0.0118841100000000, -0.0000068000000000 ] - [ -0.0367521200000000, -0.0118841100000000, 0.0000068000000000 ] - [ 0.0367295800000000, 0.0119285700000000, 0.0000246100000000 ] - [ 0.0367295800000000, 0.0119285700000000, -0.0000246100000000 ] - [ 0.0367679400000000, 0.0119441000000000, -0.0000714100000000 ] - [ 0.0367679400000000, 0.0119441000000000, 0.0000714100000000 ] - [ -0.0000042400000000, -0.0005597300000000, 0.0005466300000000 ] - [ -0.0000042400000000, -0.0005597300000000, -0.0005466300000000 ] - [ -0.0001082900000000, -0.0001061500000000, 0.0000734400000000 ] - [ -0.0001082900000000, -0.0001061500000000, -0.0000734400000000 ] - [ 0.0000113200000000, 0.0000645500000000, 0.0000600800000000 ] - [ 0.0000113200000000, 0.0000645500000000, -0.0000600800000000 ] - [ -0.0000000300000000, -0.0000001800000000, -0.0000125500000000 ] - [ -0.0000000300000000, -0.0000001800000000, 0.0000125500000000 ] - [ 0.0334648100000000, -0.0452573700000000, 0.0000000000000000 ] - [ 0.0420148600000000, -0.0462885600000000, 0.0011876700000000 ] - [ 0.0417812700000000, -0.0454065700000000, 0.0000000000000000 ] - [ 0.0420148600000000, -0.0462885600000000, -0.0011876700000000 ] - [ -0.0415666900000000, 0.0463249100000000, 0.0000000000000000 ] - [ -0.0412732300000000, 0.0454910700000000, 0.0001977100000000 ] - [ -0.0413533400000000, 0.0453614400000000, 0.0000000000000000 ] - [ -0.0412732300000000, 0.0454910700000000, -0.0001977100000000 ] - [ 0.0403087400000000, 0.0464837900000000, 0.0000000000000000 ] - [ 0.0418149700000000, 0.0453226200000000, 0.0003568600000000 ] - [ 0.0414448800000000, 0.0452116000000000, 0.0000000000000000 ] - [ 0.0418149700000000, 0.0453226200000000, -0.0003568600000000 ] - [ -0.0412414000000000, -0.0453231500000000, 0.0000000000000000 ] - [ -0.0413597100000000, -0.0452821300000000, 0.0002115600000000 ] - [ -0.0412899000000000, -0.0453032000000000, 0.0000000000000000 ] - [ -0.0413597100000000, -0.0452821300000000, -0.0002115600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0165042400000000, 0.0301181400000000, -0.0882639200000000 ] - [ 0.0167925200000000, 0.0297643700000000, 0.0048005800000000 ] - [ 0.0160134700000000, 0.0290581100000000, 0.0004248100000000 ] - [ 0.0152544600000000, 0.0283515200000000, 0.0047329900000000 ] - [ -0.0160084500000000, -0.0290522100000000, -0.0004653700000000 ] - [ -0.0159293400000000, -0.0289475000000000, 0.0000323900000000 ] - [ -0.0160113900000000, -0.0290552100000000, 0.0000097500000000 ] - [ -0.0160912400000000, -0.0291604200000000, 0.0000345300000000 ] - [ 0.0160081600000000, -0.0290507400000000, -0.0002317600000000 ] - [ 0.0153393300000000, -0.0291910900000000, 0.0000056300000000 ] - [ 0.0160173000000000, -0.0290518700000000, -0.0000898800000000 ] - [ 0.0166899400000000, -0.0289195700000000, -0.0000001700000000 ] - [ -0.0160106800000000, 0.0290511000000000, 0.0000375700000000 ] - [ -0.0159955200000000, 0.0290776200000000, -0.0000186600000000 ] - [ -0.0160123200000000, 0.0290519000000000, -0.0000121200000000 ] - [ -0.0160256700000000, 0.0290259500000000, -0.0000174500000000 ] - [ -0.0168209600000000, 0.0049165400000000, -0.0018792200000000 ] - [ -0.0210436900000000, 0.0005396500000000, 0.0039596700000000 ] - [ -0.0168214200000000, 0.0048874900000000, -0.0016603100000000 ] - [ -0.0126814900000000, 0.0091625600000000, 0.0038992700000000 ] - [ 0.0168218300000000, -0.0048836200000000, 0.0000055500000000 ] - [ 0.0167336500000000, -0.0049818400000000, -0.0001213200000000 ] - [ 0.0168229700000000, -0.0048813700000000, 0.0001275300000000 ] - [ 0.0169096400000000, -0.0047850900000000, -0.0001206200000000 ] - [ -0.0168365800000000, -0.0048702700000000, -0.0002186700000000 ] - [ -0.0166833000000000, -0.0049918200000000, -0.0000829300000000 ] - [ -0.0168205400000000, -0.0048818500000000, -0.0000292300000000 ] - [ -0.0169577300000000, -0.0047721500000000, -0.0000839900000000 ] - [ 0.0168192100000000, 0.0048824500000000, 0.0000106300000000 ] - [ 0.0167749000000000, 0.0048829900000000, -0.0000502800000000 ] - [ 0.0168202600000000, 0.0048818400000000, -0.0000267900000000 ] - [ 0.0168651500000000, 0.0048850700000000, -0.0000488400000000 ] - [ 0.0022536200000000, -0.0044571300000000, -0.0009355600000000 ] - [ 0.0039010700000000, -0.0044865400000000, -0.0009386800000000 ] - [ 0.0030241100000000, -0.0038493700000000, -0.0000834000000000 ] - [ 0.0031236700000000, -0.0050913900000000, -0.0000844100000000 ] - [ -0.0032033800000000, 0.0044199000000000, 0.0000355000000000 ] - [ -0.0029404700000000, 0.0045201300000000, 0.0000378200000000 ] - [ -0.0030870200000000, 0.0045861200000000, -0.0000294300000000 ] - [ -0.0030596400000000, 0.0043508700000000, -0.0000272900000000 ] - [ -0.0039896600000000, 0.0049693800000000, 0.0001110500000000 ] - [ -0.0040259100000000, 0.0049460300000000, 0.0001116400000000 ] - [ -0.0039541800000000, 0.0048543800000000, 0.0000673300000000 ] - [ -0.0040583900000000, 0.0050639400000000, 0.0000702100000000 ] - [ 0.0041655200000000, -0.0050201100000000, 0.0000442900000000 ] - [ 0.0038468400000000, -0.0048974700000000, 0.0000466700000000 ] - [ 0.0041082900000000, -0.0049837400000000, 0.0000490400000000 ] - [ 0.0039037700000000, -0.0049315500000000, 0.0000494500000000 ] - [ -0.0035118700000000, -0.0049927600000000, -0.0003174600000000 ] - [ -0.0045063200000000, -0.0049177400000000, -0.0003186000000000 ] - [ -0.0040438500000000, -0.0049779400000000, -0.0000143900000000 ] - [ -0.0039649900000000, -0.0049326200000000, -0.0000136100000000 ] - [ 0.0070100100000000, 0.0042263700000000, 0.0014477800000000 ] - [ 0.0009871600000000, 0.0056822600000000, 0.0014363300000000 ] - [ 0.0041092800000000, 0.0048513900000000, 0.0001884300000000 ] - [ 0.0039031100000000, 0.0050599600000000, 0.0001858400000000 ] - [ -0.0030857500000000, -0.0044880200000000, -0.0000274200000000 ] - [ -0.0030611800000000, -0.0044511700000000, -0.0000276100000000 ] - [ -0.0030678900000000, -0.0044762700000000, 0.0000246300000000 ] - [ -0.0030810000000000, -0.0044608800000000, 0.0000256800000000 ] - [ 0.0025280300000000, 0.0062213000000000, 0.0002765100000000 ] - [ 0.0036301400000000, 0.0026904600000000, 0.0002724300000000 ] - [ 0.0029609400000000, 0.0045348700000000, 0.0001110500000000 ] - [ 0.0031847800000000, 0.0044043300000000, 0.0001087900000000 ] - [ -0.0225221900000000, 0.0368026900000000, 0.0325809500000000 ] - [ -0.0514486900000000, -0.0138472700000000, 0.0336234800000000 ] - [ -0.0351839200000000, 0.0133778100000000, 0.0006335400000000 ] - [ -0.0382835900000000, 0.0105540000000000, 0.0006285900000000 ] - [ 0.0367438100000000, -0.0119170300000000, 0.0001274000000000 ] - [ 0.0367122300000000, -0.0120324600000000, 0.0001265300000000 ] - [ 0.0367747000000000, -0.0119000000000000, -0.0000366300000000 ] - [ 0.0366810000000000, -0.0120466700000000, -0.0000352000000000 ] - [ -0.0365993200000000, -0.0121478300000000, -0.0000676700000000 ] - [ -0.0368516100000000, -0.0117905600000000, -0.0000646300000000 ] - [ -0.0367307500000000, -0.0120240900000000, 0.0000072100000000 ] - [ -0.0367283800000000, -0.0119123500000000, 0.0000127500000000 ] - [ 0.0367651900000000, 0.0119452100000000, 0.0000085000000000 ] - [ 0.0366854600000000, 0.0119842500000000, 0.0000088100000000 ] - [ 0.0367559800000000, 0.0119416700000000, 0.0000125400000000 ] - [ 0.0366975600000000, 0.0119921800000000, 0.0000147900000000 ] - [ -0.0000603000000000, -0.0003177800000000, 0.0006016700000000 ] - [ 0.0000615800000000, 0.0003294600000000, 0.0006115900000000 ] - [ -0.0001548800000000, -0.0001574700000000, 0.0001602200000000 ] - [ 0.0001570800000000, 0.0001576200000000, 0.0001623400000000 ] - [ 0.0000606100000000, 0.0000525600000000, 0.0000321000000000 ] - [ -0.0000568100000000, -0.0000539600000000, 0.0000317300000000 ] - [ 0.0000158900000000, -0.0000248700000000, 0.0000187900000000 ] - [ -0.0000165800000000, 0.0000245500000000, 0.0000188100000000 ] - [ 0.0414071700000000, -0.0453732500000000, 0.0044137200000000 ] - [ 0.0407030300000000, -0.0458213600000000, 0.0000985400000000 ] - [ 0.0412860800000000, -0.0453634200000000, -0.0006268000000000 ] - [ 0.0418375700000000, -0.0449054400000000, 0.0001196800000000 ] - [ -0.0412907800000000, 0.0453569900000000, 0.0003138600000000 ] - [ -0.0411623900000000, 0.0453357300000000, 0.0000414000000000 ] - [ -0.0412874400000000, 0.0453632400000000, -0.0001047700000000 ] - [ -0.0414114400000000, 0.0453888600000000, 0.0000468400000000 ] - [ 0.0412947800000000, 0.0453663300000000, 0.0000823400000000 ] - [ 0.0415312600000000, 0.0453729100000000, 0.0002199500000000 ] - [ 0.0412878200000000, 0.0453664800000000, -0.0005538700000000 ] - [ 0.0410515800000000, 0.0453640400000000, 0.0002257400000000 ] - [ -0.0412894400000000, -0.0453670400000000, 0.0000902300000000 ] - [ -0.0412856800000000, -0.0453297600000000, 0.0000714900000000 ] - [ -0.0412893200000000, -0.0453666200000000, -0.0002720500000000 ] - [ -0.0412924000000000, -0.0454050800000000, 0.0000735700000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0192759400000000, 0.0342686200000000, 0.0000000000000000 ] - [ 0.0173593100000000, 0.0307481700000000, 0.0042079200000000 ] - [ 0.0153899300000000, 0.0281783800000000, 0.0000000000000000 ] - [ 0.0173593100000000, 0.0307481700000000, -0.0042079200000000 ] - [ -0.0160164000000000, -0.0291864200000000, 0.0000000000000000 ] - [ -0.0159316100000000, -0.0289438700000000, -0.0000919000000000 ] - [ -0.0159561300000000, -0.0290221100000000, 0.0000000000000000 ] - [ -0.0159316100000000, -0.0289438700000000, 0.0000919000000000 ] - [ 0.0163410600000000, -0.0282523000000000, 0.0000000000000000 ] - [ 0.0155760000000000, -0.0290731600000000, -0.0001390200000000 ] - [ 0.0160168100000000, -0.0290080400000000, 0.0000000000000000 ] - [ 0.0155760000000000, -0.0290731600000000, 0.0001390200000000 ] - [ -0.0161796100000000, 0.0290875400000000, 0.0000000000000000 ] - [ -0.0160087300000000, 0.0290658700000000, -0.0000456700000000 ] - [ -0.0159155800000000, 0.0289843400000000, 0.0000000000000000 ] - [ -0.0160087300000000, 0.0290658700000000, 0.0000456700000000 ] - [ -0.0802252800000000, -0.0177027200000000, 0.0000000000000000 ] - [ -0.0196454500000000, 0.0043392600000000, 0.0006493000000000 ] - [ -0.0177027200000000, 0.0046392100000000, 0.0000000000000000 ] - [ -0.0196454500000000, 0.0043392600000000, -0.0006493000000000 ] - [ 0.0171548200000000, -0.0047559900000000, 0.0000000000000000 ] - [ 0.0167992300000000, -0.0048332700000000, -0.0000249700000000 ] - [ 0.0167921500000000, -0.0049170600000000, 0.0000000000000000 ] - [ 0.0167992300000000, -0.0048332700000000, 0.0000249700000000 ] - [ -0.0166896700000000, -0.0047395800000000, 0.0000000000000000 ] - [ -0.0169911200000000, -0.0048231800000000, 0.0000588600000000 ] - [ -0.0169441800000000, -0.0048909100000000, 0.0000000000000000 ] - [ -0.0169911200000000, -0.0048231800000000, -0.0000588600000000 ] - [ 0.0168967000000000, 0.0046591500000000, 0.0000000000000000 ] - [ 0.0168767600000000, 0.0049291700000000, -0.0000025600000000 ] - [ 0.0167538700000000, 0.0049570200000000, 0.0000000000000000 ] - [ 0.0168767600000000, 0.0049291700000000, 0.0000025600000000 ] - [ 0.0053094700000000, -0.0091151000000000, 0.0032552900000000 ] - [ 0.0053094700000000, -0.0091151000000000, -0.0032552900000000 ] - [ 0.0031847900000000, -0.0043058500000000, -0.0000250800000000 ] - [ 0.0031847900000000, -0.0043058500000000, 0.0000250800000000 ] - [ -0.0028949700000000, 0.0042069500000000, -0.0001352300000000 ] - [ -0.0028949700000000, 0.0042069500000000, 0.0001352300000000 ] - [ -0.0030455400000000, 0.0045910100000000, 0.0000077400000000 ] - [ -0.0030455400000000, 0.0045910100000000, -0.0000077400000000 ] - [ -0.0044044500000000, 0.0048472400000000, 0.0002291300000000 ] - [ -0.0044044500000000, 0.0048472400000000, -0.0002291300000000 ] - [ -0.0040520900000000, 0.0048775800000000, 0.0000209400000000 ] - [ -0.0040520900000000, 0.0048775800000000, -0.0000209400000000 ] - [ 0.0037695700000000, -0.0048712400000000, -0.0001866200000000 ] - [ 0.0037695700000000, -0.0048712400000000, 0.0001866200000000 ] - [ 0.0039616200000000, -0.0048943800000000, -0.0000138700000000 ] - [ 0.0039616200000000, -0.0048943800000000, 0.0000138700000000 ] - [ -0.0039853000000000, -0.0050380500000000, -0.0000155300000000 ] - [ -0.0039853000000000, -0.0050380500000000, 0.0000155300000000 ] - [ -0.0042138200000000, -0.0049994400000000, -0.0000493400000000 ] - [ -0.0042138200000000, -0.0049994400000000, 0.0000493400000000 ] - [ 0.0041458500000000, 0.0049672000000000, 0.0015119500000000 ] - [ 0.0041458500000000, 0.0049672000000000, -0.0015119500000000 ] - [ 0.0036798400000000, 0.0049830000000000, -0.0004641200000000 ] - [ 0.0036798400000000, 0.0049830000000000, 0.0004641200000000 ] - [ -0.0029364200000000, -0.0043751700000000, 0.0001760800000000 ] - [ -0.0029364200000000, -0.0043751700000000, -0.0001760800000000 ] - [ -0.0030655600000000, -0.0045255100000000, -0.0000200700000000 ] - [ -0.0030655600000000, -0.0045255100000000, 0.0000200700000000 ] - [ 0.0060429600000000, 0.0032627400000000, -0.0019684800000000 ] - [ 0.0060429600000000, 0.0032627400000000, 0.0019684800000000 ] - [ 0.0030404400000000, 0.0045488100000000, -0.0000621800000000 ] - [ 0.0030404400000000, 0.0045488100000000, 0.0000621800000000 ] - [ -0.0122015800000000, 0.0266670600000000, -0.0189591500000000 ] - [ -0.0122015800000000, 0.0266670600000000, 0.0189591500000000 ] - [ -0.0362286500000000, 0.0127508200000000, -0.0003502200000000 ] - [ -0.0362286500000000, 0.0127508200000000, 0.0003502200000000 ] - [ 0.0367681500000000, -0.0120610400000000, -0.0000921000000000 ] - [ 0.0367681500000000, -0.0120610400000000, 0.0000921000000000 ] - [ 0.0367544200000000, -0.0119717400000000, -0.0000661000000000 ] - [ 0.0367544200000000, -0.0119717400000000, 0.0000661000000000 ] - [ -0.0368548200000000, -0.0120276400000000, -0.0001379900000000 ] - [ -0.0368548200000000, -0.0120276400000000, 0.0001379900000000 ] - [ -0.0367004900000000, -0.0120891300000000, 0.0000222800000000 ] - [ -0.0367004900000000, -0.0120891300000000, -0.0000222800000000 ] - [ 0.0366978900000000, 0.0119875400000000, 0.0000077600000000 ] - [ 0.0366978900000000, 0.0119875400000000, -0.0000077600000000 ] - [ 0.0367372000000000, 0.0119525300000000, 0.0000028800000000 ] - [ 0.0367372000000000, 0.0119525300000000, -0.0000028800000000 ] - [ 0.0006462700000000, -0.0000047200000000, 0.0006262600000000 ] - [ 0.0006462700000000, -0.0000047200000000, -0.0006262600000000 ] - [ 0.0001065500000000, 0.0001220300000000, 0.0000177600000000 ] - [ 0.0001065500000000, 0.0001220300000000, -0.0000177600000000 ] - [ -0.0004237300000000, 0.0000778700000000, 0.0000441800000000 ] - [ -0.0004237300000000, 0.0000778700000000, -0.0000441800000000 ] - [ -0.0000170900000000, -0.0000407200000000, 0.0000303700000000 ] - [ -0.0000170900000000, -0.0000407200000000, -0.0000303700000000 ] - [ 0.0425739800000000, -0.0477052200000000, 0.0000000000000000 ] - [ 0.0416971400000000, -0.0463435500000000, 0.0015348300000000 ] - [ 0.0413718300000000, -0.0459086400000000, 0.0000000000000000 ] - [ 0.0416971400000000, -0.0463435500000000, -0.0015348300000000 ] - [ -0.0419560100000000, 0.0454534100000000, 0.0000000000000000 ] - [ -0.0414117100000000, 0.0453292800000000, 0.0002271000000000 ] - [ -0.0413357900000000, 0.0453302000000000, 0.0000000000000000 ] - [ -0.0414117100000000, 0.0453292800000000, -0.0002271000000000 ] - [ 0.0432746100000000, 0.0456472500000000, 0.0000000000000000 ] - [ 0.0421205900000000, 0.0452196100000000, 0.0005413200000000 ] - [ 0.0413843800000000, 0.0454278900000000, 0.0000000000000000 ] - [ 0.0421205900000000, 0.0452196100000000, -0.0005413200000000 ] - [ -0.0413263900000000, -0.0449351500000000, 0.0000000000000000 ] - [ -0.0411512700000000, -0.0453041900000000, 0.0004615300000000 ] - [ -0.0411976100000000, -0.0452744400000000, 0.0000000000000000 ] - [ -0.0411512700000000, -0.0453041900000000, -0.0004615300000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0127548700000000, 0.0238639000000000, 0.0000000000000000 ] - [ 0.0146389700000000, 0.0274019300000000, -0.0041528100000000 ] - [ 0.0166545800000000, 0.0299462400000000, 0.0000000000000000 ] - [ 0.0146389700000000, 0.0274019300000000, 0.0041528100000000 ] - [ -0.0160098400000000, -0.0289198600000000, 0.0000000000000000 ] - [ -0.0160934300000000, -0.0291653400000000, 0.0000881000000000 ] - [ -0.0160699100000000, -0.0290891600000000, 0.0000000000000000 ] - [ -0.0160934300000000, -0.0291653400000000, -0.0000881000000000 ] - [ 0.0156446400000000, -0.0298945700000000, 0.0000000000000000 ] - [ 0.0164457000000000, -0.0290365900000000, 0.0001372500000000 ] - [ 0.0160063400000000, -0.0291044900000000, 0.0000000000000000 ] - [ 0.0164457000000000, -0.0290365900000000, -0.0001372500000000 ] - [ -0.0158396800000000, 0.0290208100000000, 0.0000000000000000 ] - [ -0.0160127100000000, 0.0290451200000000, 0.0000428900000000 ] - [ -0.0161084000000000, 0.0291263700000000, 0.0000000000000000 ] - [ -0.0160127100000000, 0.0290451200000000, -0.0000428900000000 ] - [ 0.0457018800000000, 0.0266622900000000, 0.0000000000000000 ] - [ -0.0140263300000000, 0.0054108600000000, -0.0006594100000000 ] - [ -0.0159334300000000, 0.0051346600000000, 0.0000000000000000 ] - [ -0.0140263300000000, 0.0054108600000000, 0.0006594100000000 ] - [ 0.0164860600000000, -0.0050100700000000, 0.0000000000000000 ] - [ 0.0168468300000000, -0.0049333700000000, 0.0000201000000000 ] - [ 0.0168537200000000, -0.0048447300000000, 0.0000000000000000 ] - [ 0.0168468300000000, -0.0049333700000000, -0.0000201000000000 ] - [ -0.0169592800000000, -0.0050190300000000, 0.0000000000000000 ] - [ -0.0166512400000000, -0.0049420000000000, -0.0000589100000000 ] - [ -0.0167013300000000, -0.0048720500000000, 0.0000000000000000 ] - [ -0.0166512400000000, -0.0049420000000000, 0.0000589100000000 ] - [ 0.0167455600000000, 0.0051067800000000, 0.0000000000000000 ] - [ 0.0167660800000000, 0.0048373800000000, 0.0000000700000000 ] - [ 0.0168891600000000, 0.0048069800000000, 0.0000000000000000 ] - [ 0.0167660800000000, 0.0048373800000000, -0.0000000700000000 ] - [ 0.0008171900000000, 0.0002234900000000, -0.0032916000000000 ] - [ 0.0008171900000000, 0.0002234900000000, 0.0032916000000000 ] - [ 0.0029639400000000, -0.0046329000000000, 0.0000238400000000 ] - [ 0.0029639400000000, -0.0046329000000000, -0.0000238400000000 ] - [ -0.0032554700000000, 0.0047435300000000, 0.0001390400000000 ] - [ -0.0032554700000000, 0.0047435300000000, -0.0001390400000000 ] - [ -0.0031021500000000, 0.0043507900000000, -0.0000090500000000 ] - [ -0.0031021500000000, 0.0043507900000000, 0.0000090500000000 ] - [ -0.0036096600000000, 0.0050790400000000, -0.0002189200000000 ] - [ -0.0036096600000000, 0.0050790400000000, 0.0002189200000000 ] - [ -0.0039593600000000, 0.0050306900000000, -0.0000217700000000 ] - [ -0.0039593600000000, 0.0050306900000000, 0.0000217700000000 ] - [ 0.0042478000000000, -0.0050386500000000, 0.0001892600000000 ] - [ 0.0042478000000000, -0.0050386500000000, -0.0001892600000000 ] - [ 0.0040500600000000, -0.0050148800000000, 0.0000120700000000 ] - [ 0.0040500600000000, -0.0050148800000000, -0.0000120700000000 ] - [ -0.0040259300000000, -0.0048742300000000, 0.0000127700000000 ] - [ -0.0040259300000000, -0.0048742300000000, -0.0000127700000000 ] - [ -0.0037998800000000, -0.0049143100000000, 0.0000466100000000 ] - [ -0.0037998800000000, -0.0049143100000000, -0.0000466100000000 ] - [ 0.0038559100000000, 0.0049393700000000, -0.0014889100000000 ] - [ 0.0038559100000000, 0.0049393700000000, 0.0014889100000000 ] - [ 0.0043273800000000, 0.0049283900000000, 0.0004668500000000 ] - [ 0.0043273800000000, 0.0049283900000000, -0.0004668500000000 ] - [ -0.0032120300000000, -0.0045635800000000, -0.0001755300000000 ] - [ -0.0032120300000000, -0.0045635800000000, 0.0001755300000000 ] - [ -0.0030830700000000, -0.0044130500000000, 0.0000186800000000 ] - [ -0.0030830700000000, -0.0044130500000000, -0.0000186800000000 ] - [ 0.0001448100000000, 0.0056568800000000, 0.0019376900000000 ] - [ 0.0001448100000000, 0.0056568800000000, -0.0019376900000000 ] - [ 0.0031050000000000, 0.0043927900000000, 0.0000615400000000 ] - [ 0.0031050000000000, 0.0043927900000000, -0.0000615400000000 ] - [ -0.0607446400000000, -0.0022569300000000, 0.0183461700000000 ] - [ -0.0607446400000000, -0.0022569300000000, -0.0183461700000000 ] - [ -0.0372347800000000, 0.0111686800000000, 0.0003229300000000 ] - [ -0.0372347800000000, 0.0111686800000000, -0.0003229300000000 ] - [ 0.0366866200000000, -0.0118751600000000, 0.0000921900000000 ] - [ 0.0366866200000000, -0.0118751600000000, -0.0000921900000000 ] - [ 0.0366986100000000, -0.0119633700000000, 0.0000650000000000 ] - [ 0.0366986100000000, -0.0119633700000000, -0.0000650000000000 ] - [ -0.0366152100000000, -0.0119183300000000, 0.0001350000000000 ] - [ -0.0366152100000000, -0.0119183300000000, -0.0001350000000000 ] - [ -0.0367548400000000, -0.0118534500000000, -0.0000221600000000 ] - [ -0.0367548400000000, -0.0118534500000000, 0.0000221600000000 ] - [ 0.0367584400000000, 0.0119558400000000, -0.0000066400000000 ] - [ 0.0367584400000000, 0.0119558400000000, 0.0000066400000000 ] - [ 0.0367188200000000, 0.0119912500000000, -0.0000033900000000 ] - [ 0.0367188200000000, 0.0119912500000000, 0.0000033900000000 ] - [ -0.0006579800000000, 0.0000073400000000, -0.0006366800000000 ] - [ -0.0006579800000000, 0.0000073400000000, 0.0006366800000000 ] - [ -0.0001055100000000, -0.0001193700000000, -0.0000155000000000 ] - [ -0.0001055100000000, -0.0001193700000000, 0.0000155000000000 ] - [ 0.0004209400000000, -0.0000797900000000, -0.0000426200000000 ] - [ 0.0004209400000000, -0.0000797900000000, 0.0000426200000000 ] - [ 0.0000175700000000, 0.0000416000000000, -0.0000322500000000 ] - [ 0.0000175700000000, 0.0000416000000000, 0.0000322500000000 ] - [ 0.0400730500000000, -0.0432765600000000, 0.0000000000000000 ] - [ 0.0408806100000000, -0.0443985000000000, -0.0015358900000000 ] - [ 0.0412011900000000, -0.0448171800000000, 0.0000000000000000 ] - [ 0.0408806100000000, -0.0443985000000000, 0.0015358900000000 ] - [ -0.0406109400000000, 0.0452792700000000, 0.0000000000000000 ] - [ -0.0411645100000000, 0.0453978100000000, -0.0002276500000000 ] - [ -0.0412393500000000, 0.0453968700000000, 0.0000000000000000 ] - [ -0.0411645100000000, 0.0453978100000000, 0.0002276500000000 ] - [ 0.0392706500000000, 0.0450898900000000, 0.0000000000000000 ] - [ 0.0404646200000000, 0.0455007600000000, -0.0005330500000000 ] - [ 0.0411923800000000, 0.0452972900000000, 0.0000000000000000 ] - [ 0.0404646200000000, 0.0455007600000000, 0.0005330500000000 ] - [ -0.0412550700000000, -0.0457984900000000, 0.0000000000000000 ] - [ -0.0414299200000000, -0.0454262400000000, -0.0004611300000000 ] - [ -0.0413814100000000, -0.0454521200000000, 0.0000000000000000 ] - [ -0.0414299200000000, -0.0454262400000000, 0.0004611300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0246582100000000, 0.0339128800000000, 0.0000000000000000 ] - [ 0.0180280500000000, 0.0303279000000000, 0.0043410600000000 ] - [ 0.0158569100000000, 0.0283176400000000, 0.0000000000000000 ] - [ 0.0180280500000000, 0.0303279000000000, -0.0043410600000000 ] - [ -0.0159579100000000, -0.0290806200000000, 0.0000000000000000 ] - [ -0.0158514000000000, -0.0290604200000000, -0.0000991200000000 ] - [ -0.0159546100000000, -0.0289978400000000, 0.0000000000000000 ] - [ -0.0158514000000000, -0.0290604200000000, 0.0000991200000000 ] - [ 0.0157304900000000, -0.0294218100000000, 0.0000000000000000 ] - [ 0.0157942500000000, -0.0291178200000000, -0.0001106000000000 ] - [ 0.0160692200000000, -0.0291007100000000, 0.0000000000000000 ] - [ 0.0157942500000000, -0.0291178200000000, 0.0001106000000000 ] - [ -0.0157961500000000, 0.0292629700000000, 0.0000000000000000 ] - [ -0.0159883300000000, 0.0290917900000000, 0.0000022800000000 ] - [ -0.0160074600000000, 0.0290484600000000, 0.0000000000000000 ] - [ -0.0159883300000000, 0.0290917900000000, -0.0000022800000000 ] - [ -0.0390233300000000, -0.1109829600000000, 0.0000000000000000 ] - [ -0.0173587200000000, 0.0034613100000000, 0.0009094800000000 ] - [ -0.0170681700000000, 0.0047031900000000, 0.0000000000000000 ] - [ -0.0173587200000000, 0.0034613100000000, -0.0009094800000000 ] - [ 0.0169513100000000, -0.0043221500000000, 0.0000000000000000 ] - [ 0.0168719300000000, -0.0048532600000000, -0.0000596400000000 ] - [ 0.0167846100000000, -0.0048099600000000, 0.0000000000000000 ] - [ 0.0168719300000000, -0.0048532600000000, 0.0000596400000000 ] - [ -0.0169631400000000, -0.0050325300000000, 0.0000000000000000 ] - [ -0.0168832500000000, -0.0047570600000000, 0.0000709400000000 ] - [ -0.0168132800000000, -0.0048591100000000, 0.0000000000000000 ] - [ -0.0168832500000000, -0.0047570600000000, -0.0000709400000000 ] - [ 0.0170463700000000, 0.0049904000000000, 0.0000000000000000 ] - [ 0.0167774900000000, 0.0047538800000000, 0.0000129800000000 ] - [ 0.0167473300000000, 0.0048581900000000, 0.0000000000000000 ] - [ 0.0167774900000000, 0.0047538800000000, -0.0000129800000000 ] - [ 0.0001866500000000, -0.0035040500000000, -0.0028980300000000 ] - [ 0.0001866500000000, -0.0035040500000000, 0.0028980300000000 ] - [ 0.0029297000000000, -0.0045117500000000, -0.0000236100000000 ] - [ 0.0029297000000000, -0.0045117500000000, 0.0000236100000000 ] - [ -0.0032092600000000, 0.0042228400000000, 0.0001136200000000 ] - [ -0.0032092600000000, 0.0042228400000000, -0.0001136200000000 ] - [ -0.0030145200000000, 0.0044308800000000, -0.0000073100000000 ] - [ -0.0030145200000000, 0.0044308800000000, 0.0000073100000000 ] - [ -0.0044517200000000, 0.0057684600000000, -0.0001128400000000 ] - [ -0.0044517200000000, 0.0057684600000000, 0.0001128400000000 ] - [ -0.0040498500000000, 0.0049465500000000, -0.0000140600000000 ] - [ -0.0040498500000000, 0.0049465500000000, 0.0000140600000000 ] - [ 0.0040111400000000, -0.0048996200000000, 0.0001233800000000 ] - [ 0.0040111400000000, -0.0048996200000000, -0.0001233800000000 ] - [ 0.0040376800000000, -0.0049488500000000, -0.0000513400000000 ] - [ 0.0040376800000000, -0.0049488500000000, 0.0000513400000000 ] - [ -0.0040617500000000, -0.0048116300000000, 0.0000546500000000 ] - [ -0.0040617500000000, -0.0048116300000000, -0.0000546500000000 ] - [ -0.0040046500000000, -0.0049858900000000, -0.0000140300000000 ] - [ -0.0040046500000000, -0.0049858900000000, 0.0000140300000000 ] - [ 0.0046975600000000, 0.0063268400000000, -0.0049327400000000 ] - [ 0.0046975600000000, 0.0063268400000000, 0.0049327400000000 ] - [ 0.0037989100000000, 0.0047191400000000, 0.0002212600000000 ] - [ 0.0037989100000000, 0.0047191400000000, -0.0002212600000000 ] - [ -0.0031271000000000, -0.0043420200000000, -0.0000649800000000 ] - [ -0.0031271000000000, -0.0043420200000000, 0.0000649800000000 ] - [ -0.0030497800000000, -0.0044650700000000, -0.0000307800000000 ] - [ -0.0030497800000000, -0.0044650700000000, 0.0000307800000000 ] - [ 0.0016906800000000, 0.0047045300000000, 0.0003095200000000 ] - [ 0.0016906800000000, 0.0047045300000000, -0.0003095200000000 ] - [ 0.0031349400000000, 0.0045251200000000, 0.0000142600000000 ] - [ 0.0031349400000000, 0.0045251200000000, -0.0000142600000000 ] - [ -0.0210428600000000, 0.0264466700000000, -0.0140614500000000 ] - [ -0.0210428600000000, 0.0264466700000000, 0.0140614500000000 ] - [ -0.0369997200000000, 0.0120176800000000, 0.0002726100000000 ] - [ -0.0369997200000000, 0.0120176800000000, -0.0002726100000000 ] - [ 0.0366901800000000, -0.0121115800000000, -0.0000662300000000 ] - [ 0.0366901800000000, -0.0121115800000000, 0.0000662300000000 ] - [ 0.0367571500000000, -0.0119729000000000, 0.0000419600000000 ] - [ 0.0367571500000000, -0.0119729000000000, -0.0000419600000000 ] - [ -0.0366874100000000, -0.0117864200000000, -0.0003396800000000 ] - [ -0.0366874100000000, -0.0117864200000000, 0.0003396800000000 ] - [ -0.0367268700000000, -0.0120212100000000, -0.0000398500000000 ] - [ -0.0367268700000000, -0.0120212100000000, 0.0000398500000000 ] - [ 0.0367095300000000, 0.0117611700000000, -0.0001575600000000 ] - [ 0.0367095300000000, 0.0117611700000000, 0.0001575600000000 ] - [ 0.0367599500000000, 0.0119591300000000, 0.0000127300000000 ] - [ 0.0367599500000000, 0.0119591300000000, -0.0000127300000000 ] - [ 0.0002701500000000, 0.0002656100000000, 0.0006055300000000 ] - [ 0.0002701500000000, 0.0002656100000000, -0.0006055300000000 ] - [ 0.0000212000000000, 0.0001373800000000, 0.0000856900000000 ] - [ 0.0000212000000000, 0.0001373800000000, -0.0000856900000000 ] - [ 0.0000503700000000, -0.0003548800000000, 0.0000641700000000 ] - [ 0.0000503700000000, -0.0003548800000000, -0.0000641700000000 ] - [ 0.0000487100000000, 0.0000014600000000, 0.0000128100000000 ] - [ 0.0000487100000000, 0.0000014600000000, -0.0000128100000000 ] - [ 0.0257422800000000, 0.0273521500000000, 0.0000000000000000 ] - [ 0.0426384300000000, -0.0436729900000000, 0.0004625500000000 ] - [ 0.0415505700000000, -0.0451891400000000, 0.0000000000000000 ] - [ 0.0426384300000000, -0.0436729900000000, -0.0004625500000000 ] - [ -0.0412906600000000, 0.0449239000000000, 0.0000000000000000 ] - [ -0.0416051300000000, 0.0454244000000000, 0.0002314800000000 ] - [ -0.0413457500000000, 0.0452825700000000, 0.0000000000000000 ] - [ -0.0416051300000000, 0.0454244000000000, -0.0002314800000000 ] - [ 0.0429364800000000, 0.0453571300000000, 0.0000000000000000 ] - [ 0.0411367500000000, 0.0454254500000000, 0.0002147200000000 ] - [ 0.0412010000000000, 0.0454957800000000, 0.0000000000000000 ] - [ 0.0411367500000000, 0.0454254500000000, -0.0002147200000000 ] - [ -0.0410912900000000, -0.0457751400000000, 0.0000000000000000 ] - [ -0.0412281000000000, -0.0449008700000000, -0.0002892500000000 ] - [ -0.0413650200000000, -0.0452130300000000, 0.0000000000000000 ] - [ -0.0412281000000000, -0.0449008700000000, 0.0002892500000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0075036100000000, 0.0242437100000000, 0.0000000000000000 ] - [ 0.0140091400000000, 0.0278141500000000, -0.0042811800000000 ] - [ 0.0161807900000000, 0.0298001900000000, 0.0000000000000000 ] - [ 0.0140091400000000, 0.0278141500000000, 0.0042811800000000 ] - [ -0.0160703600000000, -0.0290349600000000, 0.0000000000000000 ] - [ -0.0161718200000000, -0.0290543500000000, 0.0000962700000000 ] - [ -0.0160857800000000, -0.0291187700000000, 0.0000000000000000 ] - [ -0.0161718200000000, -0.0290543500000000, -0.0000962700000000 ] - [ 0.0162974800000000, -0.0286939500000000, 0.0000000000000000 ] - [ 0.0162387000000000, -0.0289939500000000, 0.0001098100000000 ] - [ 0.0159660600000000, -0.0290123400000000, 0.0000000000000000 ] - [ 0.0162387000000000, -0.0289939500000000, -0.0001098100000000 ] - [ -0.0162371900000000, 0.0288469300000000, 0.0000000000000000 ] - [ -0.0160375000000000, 0.0290214900000000, -0.0000045300000000 ] - [ -0.0160301800000000, 0.0290675600000000, 0.0000000000000000 ] - [ -0.0160375000000000, 0.0290214900000000, 0.0000045300000000 ] - [ 0.0053337600000000, 0.1171432600000000, 0.0000000000000000 ] - [ -0.0162830800000000, 0.0062881700000000, -0.0009306000000000 ] - [ -0.0165687700000000, 0.0050642700000000, 0.0000000000000000 ] - [ -0.0162830800000000, 0.0062881700000000, 0.0009306000000000 ] - [ 0.0166949400000000, -0.0054440500000000, 0.0000000000000000 ] - [ 0.0167714900000000, -0.0049154600000000, 0.0000570700000000 ] - [ 0.0168585000000000, -0.0049431200000000, 0.0000000000000000 ] - [ 0.0167714900000000, -0.0049154600000000, -0.0000570700000000 ] - [ -0.0166802700000000, -0.0047224300000000, 0.0000000000000000 ] - [ -0.0167602500000000, -0.0049998600000000, -0.0000703700000000 ] - [ -0.0168275200000000, -0.0048948700000000, 0.0000000000000000 ] - [ -0.0167602500000000, -0.0049998600000000, 0.0000703700000000 ] - [ 0.0165945100000000, 0.0047718700000000, 0.0000000000000000 ] - [ 0.0168656400000000, 0.0050126700000000, -0.0000139000000000 ] - [ 0.0168958300000000, 0.0048948500000000, 0.0000000000000000 ] - [ 0.0168656400000000, 0.0050126700000000, 0.0000139000000000 ] - [ 0.0059276300000000, -0.0054710200000000, 0.0028746500000000 ] - [ 0.0059276300000000, -0.0054710200000000, -0.0028746500000000 ] - [ 0.0032113600000000, -0.0044344600000000, 0.0000267900000000 ] - [ 0.0032113600000000, -0.0044344600000000, -0.0000267900000000 ] - [ -0.0029364800000000, 0.0047175700000000, -0.0001205800000000 ] - [ -0.0029364800000000, 0.0047175700000000, 0.0001205800000000 ] - [ -0.0031299900000000, 0.0045117500000000, -0.0000016800000000 ] - [ -0.0031299900000000, 0.0045117500000000, 0.0000016800000000 ] - [ -0.0035540300000000, 0.0041273900000000, 0.0001210900000000 ] - [ -0.0035540300000000, 0.0041273900000000, -0.0001210900000000 ] - [ -0.0039686600000000, 0.0049730000000000, 0.0000070100000000 ] - [ -0.0039686600000000, 0.0049730000000000, -0.0000070100000000 ] - [ 0.0040046900000000, -0.0050218500000000, -0.0001276100000000 ] - [ 0.0040046900000000, -0.0050218500000000, 0.0001276100000000 ] - [ 0.0039801300000000, -0.0049735100000000, 0.0000478800000000 ] - [ 0.0039801300000000, -0.0049735100000000, -0.0000478800000000 ] - [ -0.0039567900000000, -0.0051032500000000, -0.0000577400000000 ] - [ -0.0039567900000000, -0.0051032500000000, 0.0000577400000000 ] - [ -0.0040151100000000, -0.0049348600000000, 0.0000038900000000 ] - [ -0.0040151100000000, -0.0049348600000000, -0.0000038900000000 ] - [ 0.0033458000000000, 0.0036220200000000, 0.0048779000000000 ] - [ 0.0033458000000000, 0.0036220200000000, -0.0048779000000000 ] - [ 0.0042147500000000, 0.0052021200000000, -0.0002155900000000 ] - [ 0.0042147500000000, 0.0052021200000000, 0.0002155900000000 ] - [ -0.0030191500000000, -0.0046027500000000, 0.0000642400000000 ] - [ -0.0030191500000000, -0.0046027500000000, -0.0000642400000000 ] - [ -0.0030928200000000, -0.0044796200000000, 0.0000267900000000 ] - [ -0.0030928200000000, -0.0044796200000000, -0.0000267900000000 ] - [ 0.0044162500000000, 0.0042430700000000, -0.0002981400000000 ] - [ 0.0044162500000000, 0.0042430700000000, 0.0002981400000000 ] - [ 0.0030019800000000, 0.0044226200000000, -0.0000152900000000 ] - [ 0.0030019800000000, 0.0044226200000000, 0.0000152900000000 ] - [ -0.0521768300000000, -0.0024810900000000, 0.0138100300000000 ] - [ -0.0521768300000000, -0.0024810900000000, -0.0138100300000000 ] - [ -0.0364625600000000, 0.0119153400000000, -0.0002781300000000 ] - [ -0.0364625600000000, 0.0119153400000000, 0.0002781300000000 ] - [ 0.0367680300000000, -0.0118283200000000, 0.0000628500000000 ] - [ 0.0367680300000000, -0.0118283200000000, -0.0000628500000000 ] - [ 0.0367028500000000, -0.0119691000000000, -0.0000479600000000 ] - [ 0.0367028500000000, -0.0119691000000000, 0.0000479600000000 ] - [ -0.0367571300000000, -0.0121578800000000, 0.0003439500000000 ] - [ -0.0367571300000000, -0.0121578800000000, -0.0003439500000000 ] - [ -0.0367272700000000, -0.0119150300000000, 0.0000382500000000 ] - [ -0.0367272700000000, -0.0119150300000000, -0.0000382500000000 ] - [ 0.0367476300000000, 0.0121802900000000, 0.0001600000000000 ] - [ 0.0367476300000000, 0.0121802900000000, -0.0001600000000000 ] - [ 0.0366974800000000, 0.0119811100000000, -0.0000156000000000 ] - [ 0.0366974800000000, 0.0119811100000000, 0.0000156000000000 ] - [ -0.0002677700000000, -0.0002603100000000, -0.0006060500000000 ] - [ -0.0002677700000000, -0.0002603100000000, 0.0006060500000000 ] - [ -0.0000195400000000, -0.0001356600000000, -0.0000878200000000 ] - [ -0.0000195400000000, -0.0001356600000000, 0.0000878200000000 ] - [ -0.0000513100000000, 0.0003559500000000, -0.0000663100000000 ] - [ -0.0000513100000000, 0.0003559500000000, 0.0000663100000000 ] - [ -0.0000497800000000, -0.0000023600000000, -0.0000152700000000 ] - [ -0.0000497800000000, -0.0000023600000000, 0.0000152700000000 ] - [ 0.0562773000000000, -0.1145896200000000, 0.0000000000000000 ] - [ 0.0399616800000000, -0.0470419500000000, -0.0004641900000000 ] - [ 0.0410313400000000, -0.0455452400000000, 0.0000000000000000 ] - [ 0.0399616800000000, -0.0470419500000000, 0.0004641900000000 ] - [ -0.0413002000000000, 0.0458117300000000, 0.0000000000000000 ] - [ -0.0409740700000000, 0.0453109000000000, -0.0002286600000000 ] - [ -0.0412294600000000, 0.0454510100000000, 0.0000000000000000 ] - [ -0.0409740700000000, 0.0453109000000000, 0.0002286600000000 ] - [ 0.0396351600000000, 0.0453742200000000, 0.0000000000000000 ] - [ 0.0414377600000000, 0.0453045000000000, -0.0002159300000000 ] - [ 0.0413746000000000, 0.0452330500000000, 0.0000000000000000 ] - [ 0.0414377600000000, 0.0453045000000000, 0.0002159300000000 ] - [ -0.0414866700000000, -0.0449509300000000, 0.0000000000000000 ] - [ -0.0413500200000000, -0.0458449400000000, 0.0003012200000000 ] - [ -0.0412095600000000, -0.0455173700000000, 0.0000000000000000 ] - [ -0.0413500200000000, -0.0458449400000000, -0.0003012200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0159787000000000, 0.0290554500000000, -0.0018802100000000 ] - [ 0.0206495100000000, 0.0342371900000000, 0.0039625000000000 ] - [ 0.0160048900000000, 0.0290550500000000, -0.0016595200000000 ] - [ 0.0114219600000000, 0.0239686100000000, 0.0039032100000000 ] - [ -0.0160117600000000, -0.0290563600000000, 0.0000036900000000 ] - [ -0.0158406400000000, -0.0289269100000000, -0.0001211300000000 ] - [ -0.0160126700000000, -0.0290578600000000, 0.0001256400000000 ] - [ -0.0161850100000000, -0.0291895000000000, -0.0001235000000000 ] - [ 0.0160043600000000, -0.0290541200000000, -0.0002172800000000 ] - [ 0.0156488500000000, -0.0290152900000000, -0.0000820000000000 ] - [ 0.0160126800000000, -0.0290574800000000, -0.0000280100000000 ] - [ 0.0163735900000000, -0.0290988100000000, -0.0000813800000000 ] - [ -0.0160128200000000, 0.0290543400000000, 0.0000072100000000 ] - [ -0.0159795300000000, 0.0290734100000000, -0.0000509200000000 ] - [ -0.0160126300000000, 0.0290557900000000, -0.0000274200000000 ] - [ -0.0160443500000000, 0.0290386600000000, -0.0000502400000000 ] - [ -0.0177983100000000, 0.0042869200000000, -0.0914503800000000 ] - [ -0.0174798100000000, 0.0039483400000000, 0.0054521600000000 ] - [ -0.0168235400000000, 0.0048792900000000, 0.0003890900000000 ] - [ -0.0161682100000000, 0.0057897300000000, 0.0053729400000000 ] - [ 0.0168230700000000, -0.0048850700000000, -0.0004642200000000 ] - [ 0.0168022700000000, -0.0049434800000000, 0.0000780700000000 ] - [ 0.0168239200000000, -0.0048825300000000, 0.0001204700000000 ] - [ 0.0168442700000000, -0.0048255700000000, 0.0000785100000000 ] - [ -0.0168231500000000, -0.0048823200000000, 0.0001100100000000 ] - [ -0.0168825600000000, -0.0048110600000000, 0.0000905100000000 ] - [ -0.0168216800000000, -0.0048831400000000, -0.0000649600000000 ] - [ -0.0167637500000000, -0.0049527500000000, 0.0000882200000000 ] - [ 0.0168211900000000, 0.0048826600000000, 0.0000070600000000 ] - [ 0.0168224400000000, 0.0048710100000000, -0.0000048300000000 ] - [ 0.0168231300000000, 0.0048828300000000, -0.0000475900000000 ] - [ 0.0168241400000000, 0.0048951300000000, -0.0000034800000000 ] - [ 0.0049177200000000, -0.0081063400000000, 0.0017153500000000 ] - [ 0.0012271600000000, -0.0008135800000000, 0.0016966800000000 ] - [ 0.0031401600000000, -0.0045731500000000, 0.0002071100000000 ] - [ 0.0030089400000000, -0.0043709600000000, 0.0002042100000000 ] - [ -0.0030807300000000, 0.0042222700000000, -0.0001955700000000 ] - [ -0.0030691100000000, 0.0047297000000000, -0.0001970300000000 ] - [ -0.0030165400000000, 0.0044752400000000, -0.0000100300000000 ] - [ -0.0031342600000000, 0.0044647000000000, -0.0000097600000000 ] - [ -0.0039267700000000, 0.0060741800000000, 0.0006537000000000 ] - [ -0.0040860900000000, 0.0038147400000000, 0.0006550300000000 ] - [ -0.0040174000000000, 0.0049831900000000, 0.0000141800000000 ] - [ -0.0039930500000000, 0.0049253400000000, 0.0000140000000000 ] - [ 0.0040772100000000, -0.0049737600000000, 0.0000684500000000 ] - [ 0.0039323100000000, -0.0049352100000000, 0.0000707600000000 ] - [ 0.0040062700000000, -0.0049853200000000, 0.0000485800000000 ] - [ 0.0040039600000000, -0.0049213900000000, 0.0000484000000000 ] - [ -0.0039744300000000, -0.0048626500000000, 0.0001068000000000 ] - [ -0.0040347200000000, -0.0050457400000000, 0.0001108300000000 ] - [ -0.0041619500000000, -0.0050127300000000, -0.0001103300000000 ] - [ -0.0038468500000000, -0.0048941100000000, -0.0001084800000000 ] - [ 0.0037380100000000, 0.0056645500000000, -0.0008398700000000 ] - [ 0.0042792100000000, 0.0042335900000000, -0.0008396400000000 ] - [ 0.0034126400000000, 0.0048695100000000, -0.0001177600000000 ] - [ 0.0045992900000000, 0.0050354000000000, -0.0001184900000000 ] - [ -0.0031239800000000, -0.0044823600000000, -0.0000975900000000 ] - [ -0.0030242500000000, -0.0044622100000000, -0.0000997200000000 ] - [ -0.0030810600000000, -0.0045147700000000, 0.0000280500000000 ] - [ -0.0030691600000000, -0.0044274600000000, 0.0000280100000000 ] - [ 0.0010461400000000, 0.0052709000000000, 0.0007836100000000 ] - [ 0.0051318600000000, 0.0036500600000000, 0.0007785300000000 ] - [ 0.0030000000000000, 0.0045810000000000, -0.0000254600000000 ] - [ 0.0031486800000000, 0.0043610900000000, -0.0000265600000000 ] - [ -0.0585141600000000, -0.0049037600000000, 0.0317732300000000 ] - [ -0.0140342100000000, 0.0294689500000000, 0.0327951600000000 ] - [ -0.0377621500000000, 0.0104260600000000, 0.0004487900000000 ] - [ -0.0356767000000000, 0.0135245700000000, 0.0004425600000000 ] - [ 0.0366768700000000, -0.0119935100000000, 0.0001539400000000 ] - [ 0.0367753100000000, -0.0119436500000000, 0.0001540100000000 ] - [ 0.0367709300000000, -0.0119644500000000, -0.0000988800000000 ] - [ 0.0366801800000000, -0.0119735700000000, -0.0000976500000000 ] - [ -0.0366582500000000, -0.0119677100000000, 0.0001370400000000 ] - [ -0.0368000100000000, -0.0119705100000000, 0.0001398700000000 ] - [ -0.0366934200000000, -0.0119914900000000, -0.0000370200000000 ] - [ -0.0367611800000000, -0.0119429700000000, -0.0000362700000000 ] - [ 0.0367801900000000, 0.0118908200000000, -0.0000511700000000 ] - [ 0.0366735600000000, 0.0120476600000000, -0.0000535000000000 ] - [ 0.0367570600000000, 0.0119385200000000, 0.0000183900000000 ] - [ 0.0366959300000000, 0.0119975900000000, 0.0000163300000000 ] - [ 0.0004911100000000, -0.0001354200000000, 0.0006770500000000 ] - [ -0.0005007200000000, 0.0001337800000000, 0.0006899100000000 ] - [ 0.0001144000000000, 0.0002078000000000, 0.0001867400000000 ] - [ -0.0001143000000000, -0.0002096600000000, 0.0001894300000000 ] - [ 0.0003543000000000, -0.0003264600000000, -0.0001492900000000 ] - [ -0.0003515200000000, 0.0003247300000000, -0.0001487900000000 ] - [ 0.0000538100000000, -0.0000359000000000, -0.0000147800000000 ] - [ -0.0000542400000000, 0.0000371100000000, -0.0000143700000000 ] - [ 0.0413144300000000, -0.0454674200000000, 0.0053010800000000 ] - [ 0.0414333400000000, -0.0447210300000000, -0.0001804700000000 ] - [ 0.0412894300000000, -0.0453619300000000, -0.0005683800000000 ] - [ 0.0411413500000000, -0.0459674800000000, -0.0001582800000000 ] - [ -0.0412865700000000, 0.0453678700000000, 0.0004857400000000 ] - [ -0.0414125000000000, 0.0451160800000000, 0.0000300600000000 ] - [ -0.0412879800000000, 0.0453651200000000, -0.0002692800000000 ] - [ -0.0411630100000000, 0.0456124400000000, 0.0000359300000000 ] - [ 0.0413046900000000, 0.0453640700000000, -0.0003548200000000 ] - [ 0.0415231800000000, 0.0452560000000000, 0.0002194100000000 ] - [ 0.0412899100000000, 0.0453651800000000, -0.0000770300000000 ] - [ 0.0410597800000000, 0.0454717500000000, 0.0002221500000000 ] - [ -0.0412885300000000, -0.0453637100000000, -0.0002815300000000 ] - [ -0.0411995500000000, -0.0454364600000000, 0.0003194900000000 ] - [ -0.0412892800000000, -0.0453662600000000, -0.0000374500000000 ] - [ -0.0413792900000000, -0.0452986100000000, 0.0003245200000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0172480200000000, 0.0292525400000000, -0.0008205600000000 ] - [ 0.0157878300000000, 0.0291468700000000, 0.0000497100000000 ] - [ 0.0157878300000000, 0.0291468700000000, -0.0000497100000000 ] - [ 0.0172480200000000, 0.0292525400000000, 0.0008205600000000 ] - [ -0.0159161100000000, -0.0289044000000000, 0.0001293100000000 ] - [ -0.0160612300000000, -0.0290997200000000, -0.0000138300000000 ] - [ -0.0160612300000000, -0.0290997200000000, 0.0000138300000000 ] - [ -0.0159161100000000, -0.0289044000000000, -0.0001293100000000 ] - [ 0.0157347500000000, -0.0285625600000000, -0.0005516200000000 ] - [ 0.0160729800000000, -0.0291830100000000, 0.0001102300000000 ] - [ 0.0160729800000000, -0.0291830100000000, -0.0001102300000000 ] - [ 0.0157347500000000, -0.0285625600000000, 0.0005516200000000 ] - [ -0.0161580800000000, 0.0290427700000000, 0.0000125000000000 ] - [ -0.0159922300000000, 0.0290872300000000, 0.0000070600000000 ] - [ -0.0159922300000000, 0.0290872300000000, -0.0000070600000000 ] - [ -0.0161580800000000, 0.0290427700000000, -0.0000125000000000 ] - [ -0.0145686600000000, 0.0019870700000000, 0.0018628800000000 ] - [ -0.0167116300000000, 0.0047398500000000, -0.0000665000000000 ] - [ -0.0167116300000000, 0.0047398500000000, 0.0000665000000000 ] - [ -0.0145686600000000, 0.0019870700000000, -0.0018628800000000 ] - [ 0.0170022400000000, -0.0050187400000000, 0.0000042900000000 ] - [ 0.0168511400000000, -0.0048232000000000, 0.0000592300000000 ] - [ 0.0168511400000000, -0.0048232000000000, -0.0000592300000000 ] - [ 0.0170022400000000, -0.0050187400000000, -0.0000042900000000 ] - [ -0.0138904700000000, -0.0035199300000000, -0.0020279800000000 ] - [ -0.0168547400000000, -0.0049434200000000, 0.0000733200000000 ] - [ -0.0168547400000000, -0.0049434200000000, -0.0000733200000000 ] - [ -0.0138904700000000, -0.0035199300000000, 0.0020279800000000 ] - [ 0.0169611500000000, 0.0049347500000000, 0.0000496800000000 ] - [ 0.0168313100000000, 0.0048579900000000, -0.0000059400000000 ] - [ 0.0168313100000000, 0.0048579900000000, 0.0000059400000000 ] - [ 0.0169611500000000, 0.0049347500000000, -0.0000496800000000 ] - [ -0.1173134800000000, -0.0328859500000000, 0.0000000000000000 ] - [ 0.0007053000000000, -0.0046521200000000, -0.0013164200000000 ] - [ 0.0029242600000000, -0.0045935800000000, 0.0000000000000000 ] - [ 0.0007053000000000, -0.0046521200000000, 0.0013164200000000 ] - [ -0.0047423900000000, 0.0024206200000000, 0.0000000000000000 ] - [ -0.0031184700000000, 0.0044529500000000, 0.0000905200000000 ] - [ -0.0029935800000000, 0.0044001600000000, 0.0000000000000000 ] - [ -0.0031184700000000, 0.0044529500000000, -0.0000905200000000 ] - [ -0.0040221500000000, 0.0048848700000000, 0.0000000000000000 ] - [ -0.0039215400000000, 0.0050864200000000, -0.0001417300000000 ] - [ -0.0040016200000000, 0.0049985200000000, 0.0000000000000000 ] - [ -0.0039215400000000, 0.0050864200000000, 0.0001417300000000 ] - [ 0.0038640800000000, -0.0043585600000000, 0.0000000000000000 ] - [ 0.0038958500000000, -0.0047047600000000, -0.0001708300000000 ] - [ 0.0040228500000000, -0.0049395100000000, 0.0000000000000000 ] - [ 0.0038958500000000, -0.0047047600000000, 0.0001708300000000 ] - [ -0.0027783600000000, -0.0076894600000000, 0.0000000000000000 ] - [ -0.0041005600000000, -0.0049400900000000, -0.0000420500000000 ] - [ -0.0038523300000000, -0.0049935000000000, 0.0000000000000000 ] - [ -0.0041005600000000, -0.0049400900000000, 0.0000420500000000 ] - [ 0.0090244900000000, 0.0157674900000000, 0.0000000000000000 ] - [ 0.0033655400000000, 0.0069291100000000, 0.0013425500000000 ] - [ 0.0041626000000000, 0.0049458400000000, 0.0000000000000000 ] - [ 0.0033655400000000, 0.0069291100000000, -0.0013425500000000 ] - [ -0.0030955700000000, -0.0045125600000000, 0.0000000000000000 ] - [ -0.0031073400000000, -0.0044618200000000, 0.0000492300000000 ] - [ -0.0030997200000000, -0.0044581100000000, 0.0000000000000000 ] - [ -0.0031073400000000, -0.0044618200000000, -0.0000492300000000 ] - [ 0.0030563100000000, 0.0042119800000000, 0.0000000000000000 ] - [ 0.0030600000000000, 0.0045254200000000, -0.0003363000000000 ] - [ 0.0031546700000000, 0.0044936100000000, 0.0000000000000000 ] - [ 0.0030600000000000, 0.0045254200000000, 0.0003363000000000 ] - [ -0.0312046100000000, 0.0108338400000000, 0.0000000000000000 ] - [ -0.0367813200000000, 0.0117175100000000, 0.0005751900000000 ] - [ -0.0367841800000000, 0.0118156500000000, 0.0000000000000000 ] - [ -0.0367813200000000, 0.0117175100000000, -0.0005751900000000 ] - [ 0.0368354600000000, -0.0123347600000000, 0.0000000000000000 ] - [ 0.0366300700000000, -0.0119238100000000, -0.0000360400000000 ] - [ 0.0367369900000000, -0.0120001100000000, 0.0000000000000000 ] - [ 0.0366300700000000, -0.0119238100000000, 0.0000360400000000 ] - [ -0.0197474400000000, -0.0004263800000000, 0.0000000000000000 ] - [ -0.0367077900000000, -0.0118602000000000, -0.0001690700000000 ] - [ -0.0369044800000000, -0.0120186900000000, 0.0000000000000000 ] - [ -0.0367077900000000, -0.0118602000000000, 0.0001690700000000 ] - [ 0.0366998300000000, 0.0118464600000000, 0.0000000000000000 ] - [ 0.0367299900000000, 0.0119434200000000, -0.0000172100000000 ] - [ 0.0367370900000000, 0.0119622300000000, 0.0000000000000000 ] - [ 0.0367299900000000, 0.0119434200000000, 0.0000172100000000 ] - [ 0.0152741600000000, -0.0080714800000000, 0.0000000000000000 ] - [ -0.0003535600000000, 0.0000949100000000, 0.0000058300000000 ] - [ -0.0000425000000000, -0.0000998500000000, 0.0000000000000000 ] - [ -0.0003535600000000, 0.0000949100000000, -0.0000058300000000 ] - [ 0.0001169200000000, 0.0001687800000000, 0.0000000000000000 ] - [ -0.0000261700000000, 0.0000309800000000, -0.0000244800000000 ] - [ 0.0000277000000000, 0.0000215800000000, 0.0000000000000000 ] - [ -0.0000261700000000, 0.0000309800000000, 0.0000244800000000 ] - [ 0.0764062000000000, -0.0366407100000000, 0.0289331000000000 ] - [ 0.0420226200000000, -0.0447494300000000, -0.0006788800000000 ] - [ 0.0420226200000000, -0.0447494300000000, 0.0006788800000000 ] - [ 0.0764062000000000, -0.0366407100000000, -0.0289331000000000 ] - [ -0.0420858100000000, 0.0451039100000000, -0.0001533700000000 ] - [ -0.0412877300000000, 0.0454293300000000, -0.0001066400000000 ] - [ -0.0412877300000000, 0.0454293300000000, 0.0001066400000000 ] - [ -0.0420858100000000, 0.0451039100000000, 0.0001533700000000 ] - [ 0.0423921900000000, 0.0452738600000000, 0.0010470400000000 ] - [ 0.0415153600000000, 0.0455858000000000, 0.0000863700000000 ] - [ 0.0415153600000000, 0.0455858000000000, -0.0000863700000000 ] - [ 0.0423921900000000, 0.0452738600000000, -0.0010470400000000 ] - [ -0.0412675000000000, -0.0454413100000000, -0.0000576100000000 ] - [ -0.0413290700000000, -0.0454880200000000, 0.0000679900000000 ] - [ -0.0413290700000000, -0.0454880200000000, -0.0000679900000000 ] - [ -0.0412675000000000, -0.0454413100000000, 0.0000576100000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0147716800000000, 0.0288643200000000, 0.0008246300000000 ] - [ 0.0162498400000000, 0.0289676100000000, -0.0000501900000000 ] - [ 0.0162498400000000, 0.0289676100000000, 0.0000501900000000 ] - [ 0.0147716800000000, 0.0288643200000000, -0.0008246300000000 ] - [ -0.0161214200000000, -0.0292040600000000, -0.0001359700000000 ] - [ -0.0159782200000000, -0.0290177800000000, 0.0000094600000000 ] - [ -0.0159782200000000, -0.0290177800000000, -0.0000094600000000 ] - [ -0.0161214200000000, -0.0292040600000000, 0.0001359700000000 ] - [ 0.0163254100000000, -0.0295475200000000, 0.0005500100000000 ] - [ 0.0159558700000000, -0.0289299500000000, -0.0001129500000000 ] - [ 0.0159558700000000, -0.0289299500000000, 0.0001129500000000 ] - [ 0.0163254100000000, -0.0295475200000000, -0.0005500100000000 ] - [ -0.0158728100000000, 0.0290687300000000, -0.0000128400000000 ] - [ -0.0160329900000000, 0.0290210300000000, -0.0000022600000000 ] - [ -0.0160329900000000, 0.0290210300000000, 0.0000022600000000 ] - [ -0.0158728100000000, 0.0290687300000000, 0.0000128400000000 ] - [ -0.0190568500000000, 0.0077226800000000, -0.0018291500000000 ] - [ -0.0169294400000000, 0.0050158200000000, 0.0000637500000000 ] - [ -0.0169294400000000, 0.0050158200000000, -0.0000637500000000 ] - [ -0.0190568500000000, 0.0077226800000000, 0.0018291500000000 ] - [ 0.0166372000000000, -0.0047353100000000, -0.0000110400000000 ] - [ 0.0167966000000000, -0.0049282400000000, -0.0000634700000000 ] - [ 0.0167966000000000, -0.0049282400000000, 0.0000634700000000 ] - [ 0.0166372000000000, -0.0047353100000000, 0.0000110400000000 ] - [ -0.0197882500000000, -0.0062501700000000, 0.0020553300000000 ] - [ -0.0167884300000000, -0.0048173800000000, -0.0000742200000000 ] - [ -0.0167884300000000, -0.0048173800000000, 0.0000742200000000 ] - [ -0.0197882500000000, -0.0062501700000000, -0.0020553300000000 ] - [ 0.0166828500000000, 0.0048270400000000, -0.0000502300000000 ] - [ 0.0168058800000000, 0.0049059200000000, 0.0000104100000000 ] - [ 0.0168058800000000, 0.0049059200000000, -0.0000104100000000 ] - [ 0.0166828500000000, 0.0048270400000000, 0.0000502300000000 ] - [ 0.1222964000000000, 0.0239134500000000, 0.0000000000000000 ] - [ 0.0054304900000000, -0.0042934200000000, 0.0013033700000000 ] - [ 0.0032075200000000, -0.0043506700000000, 0.0000000000000000 ] - [ 0.0054304900000000, -0.0042934200000000, -0.0013033700000000 ] - [ -0.0013773600000000, 0.0065386200000000, 0.0000000000000000 ] - [ -0.0030156500000000, 0.0044921300000000, -0.0000890700000000 ] - [ -0.0031375300000000, 0.0045483300000000, 0.0000000000000000 ] - [ -0.0030156500000000, 0.0044921300000000, 0.0000890700000000 ] - [ -0.0039976100000000, 0.0050337200000000, 0.0000000000000000 ] - [ -0.0040947300000000, 0.0048342700000000, 0.0001382600000000 ] - [ -0.0040182200000000, 0.0049187500000000, 0.0000000000000000 ] - [ -0.0040947300000000, 0.0048342700000000, -0.0001382600000000 ] - [ 0.0041604300000000, -0.0055588600000000, 0.0000000000000000 ] - [ 0.0041269100000000, -0.0052137000000000, 0.0001667500000000 ] - [ 0.0039987600000000, -0.0049787200000000, 0.0000000000000000 ] - [ 0.0041269100000000, -0.0052137000000000, -0.0001667500000000 ] - [ -0.0052851500000000, -0.0021952000000000, 0.0000000000000000 ] - [ -0.0039158900000000, -0.0049868100000000, 0.0000444300000000 ] - [ -0.0041651700000000, -0.0049323900000000, 0.0000000000000000 ] - [ -0.0039158900000000, -0.0049868100000000, -0.0000444300000000 ] - [ -0.0009423200000000, -0.0057286300000000, 0.0000000000000000 ] - [ 0.0046428700000000, 0.0030271200000000, -0.0013219000000000 ] - [ 0.0038549900000000, 0.0049794300000000, 0.0000000000000000 ] - [ 0.0046428700000000, 0.0030271200000000, 0.0013219000000000 ] - [ -0.0030462600000000, -0.0044331100000000, 0.0000000000000000 ] - [ -0.0030376200000000, -0.0044813400000000, -0.0000493000000000 ] - [ -0.0030499200000000, -0.0044828500000000, 0.0000000000000000 ] - [ -0.0030376200000000, -0.0044813400000000, 0.0000493000000000 ] - [ 0.0031029000000000, 0.0047247700000000, 0.0000000000000000 ] - [ 0.0030892900000000, 0.0044167600000000, 0.0003371000000000 ] - [ 0.0029932300000000, 0.0044504100000000, 0.0000000000000000 ] - [ 0.0030892900000000, 0.0044167600000000, -0.0003371000000000 ] - [ -0.0421870600000000, 0.0131207600000000, 0.0000000000000000 ] - [ -0.0366594800000000, 0.0121990500000000, -0.0005571900000000 ] - [ -0.0366645400000000, 0.0121195000000000, 0.0000000000000000 ] - [ -0.0366594800000000, 0.0121990500000000, 0.0005571900000000 ] - [ 0.0366040600000000, -0.0115915200000000, 0.0000000000000000 ] - [ 0.0368191500000000, -0.0120089000000000, 0.0000348100000000 ] - [ 0.0367101800000000, -0.0119292000000000, 0.0000000000000000 ] - [ 0.0368191500000000, -0.0120089000000000, -0.0000348100000000 ] - [ -0.0543443500000000, -0.0241932200000000, 0.0000000000000000 ] - [ -0.0367509400000000, -0.0120819700000000, 0.0001729200000000 ] - [ -0.0365518300000000, -0.0119220200000000, 0.0000000000000000 ] - [ -0.0367509400000000, -0.0120819700000000, -0.0001729200000000 ] - [ 0.0367478500000000, 0.0120923500000000, 0.0000000000000000 ] - [ 0.0367242100000000, 0.0119946000000000, 0.0000186300000000 ] - [ 0.0367025100000000, 0.0119629400000000, 0.0000000000000000 ] - [ 0.0367242100000000, 0.0119946000000000, -0.0000186300000000 ] - [ -0.0152521600000000, 0.0080133400000000, 0.0000000000000000 ] - [ 0.0003504400000000, -0.0000939900000000, -0.0000074800000000 ] - [ 0.0000427600000000, 0.0001001600000000, 0.0000000000000000 ] - [ 0.0003504400000000, -0.0000939900000000, 0.0000074800000000 ] - [ -0.0001091200000000, -0.0001656200000000, 0.0000000000000000 ] - [ 0.0000281300000000, -0.0000297900000000, 0.0000230700000000 ] - [ -0.0000276500000000, -0.0000210900000000, 0.0000000000000000 ] - [ 0.0000281300000000, -0.0000297900000000, -0.0000230700000000 ] - [ 0.0070439200000000, -0.0537325900000000, -0.0279759800000000 ] - [ 0.0405509800000000, -0.0459736400000000, 0.0006837200000000 ] - [ 0.0405509800000000, -0.0459736400000000, -0.0006837200000000 ] - [ 0.0070439200000000, -0.0537325900000000, 0.0279759800000000 ] - [ -0.0404803500000000, 0.0456185500000000, 0.0001506800000000 ] - [ -0.0412873200000000, 0.0452990200000000, 0.0001053100000000 ] - [ -0.0412873200000000, 0.0452990200000000, -0.0001053100000000 ] - [ -0.0404803500000000, 0.0456185500000000, -0.0001506800000000 ] - [ 0.0401471900000000, 0.0454258400000000, -0.0010109800000000 ] - [ 0.0410574700000000, 0.0451453800000000, -0.0000837500000000 ] - [ 0.0410574700000000, 0.0451453800000000, 0.0000837500000000 ] - [ 0.0401471900000000, 0.0454258400000000, 0.0010109800000000 ] - [ -0.0413096600000000, -0.0452922900000000, 0.0000561000000000 ] - [ -0.0412490000000000, -0.0452437500000000, -0.0000649700000000 ] - [ -0.0412490000000000, -0.0452437500000000, 0.0000649700000000 ] - [ -0.0413096600000000, -0.0452922900000000, -0.0000561000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0166843800000000, 0.0293282400000000, 0.0000134300000000 ] - [ 0.0157537000000000, 0.0286471400000000, -0.0006149700000000 ] - [ 0.0157537000000000, 0.0286471400000000, 0.0006149700000000 ] - [ 0.0166843800000000, 0.0293282400000000, -0.0000134300000000 ] - [ -0.0159436800000000, -0.0290801600000000, 0.0000488400000000 ] - [ -0.0160501900000000, -0.0291352500000000, 0.0001183000000000 ] - [ -0.0160501900000000, -0.0291352500000000, -0.0001183000000000 ] - [ -0.0159436800000000, -0.0290801600000000, -0.0000488400000000 ] - [ 0.0175466700000000, -0.0266977400000000, -0.0017514000000000 ] - [ 0.0160741800000000, -0.0290269000000000, 0.0000645200000000 ] - [ 0.0160741800000000, -0.0290269000000000, -0.0000645200000000 ] - [ 0.0175466700000000, -0.0266977400000000, 0.0017514000000000 ] - [ -0.0158981500000000, 0.0291200400000000, -0.0000189500000000 ] - [ -0.0159819700000000, 0.0290742400000000, 0.0000079000000000 ] - [ -0.0159819700000000, 0.0290742400000000, -0.0000079000000000 ] - [ -0.0158981500000000, 0.0291200400000000, 0.0000189500000000 ] - [ -0.0214717500000000, 0.0058661000000000, -0.0036307000000000 ] - [ -0.0166600200000000, 0.0048456700000000, 0.0000983400000000 ] - [ -0.0166600200000000, 0.0048456700000000, -0.0000983400000000 ] - [ -0.0214717500000000, 0.0058661000000000, 0.0036307000000000 ] - [ 0.0165551000000000, -0.0051339100000000, 0.0002535100000000 ] - [ 0.0169452400000000, -0.0049237700000000, 0.0000056700000000 ] - [ 0.0169452400000000, -0.0049237700000000, -0.0000056700000000 ] - [ 0.0165551000000000, -0.0051339100000000, -0.0002535100000000 ] - [ -0.0156228600000000, -0.0046439500000000, -0.0008116100000000 ] - [ -0.0169013500000000, -0.0048296200000000, 0.0001088400000000 ] - [ -0.0169013500000000, -0.0048296200000000, -0.0001088400000000 ] - [ -0.0156228600000000, -0.0046439500000000, 0.0008116100000000 ] - [ 0.0167295000000000, 0.0050122800000000, -0.0000103300000000 ] - [ 0.0168811900000000, 0.0048892900000000, 0.0000440100000000 ] - [ 0.0168811900000000, 0.0048892900000000, -0.0000440100000000 ] - [ 0.0167295000000000, 0.0050122800000000, 0.0000103300000000 ] - [ -0.0247390900000000, -0.1356036800000000, 0.0000000000000000 ] - [ 0.0028990000000000, -0.0052720200000000, -0.0000521100000000 ] - [ 0.0029512800000000, -0.0047334600000000, 0.0000000000000000 ] - [ 0.0028990000000000, -0.0052720200000000, 0.0000521100000000 ] - [ -0.0051643600000000, 0.0132062700000000, 0.0000000000000000 ] - [ -0.0030937200000000, 0.0045221900000000, -0.0000969300000000 ] - [ -0.0031458400000000, 0.0044811800000000, 0.0000000000000000 ] - [ -0.0030937200000000, 0.0045221900000000, 0.0000969300000000 ] - [ -0.0040066000000000, 0.0049808800000000, 0.0000000000000000 ] - [ -0.0038821600000000, 0.0049309800000000, 0.0000977200000000 ] - [ -0.0039708300000000, 0.0049495200000000, 0.0000000000000000 ] - [ -0.0038821600000000, 0.0049309800000000, -0.0000977200000000 ] - [ 0.0038183500000000, -0.0044982700000000, 0.0000000000000000 ] - [ 0.0040224400000000, -0.0046980700000000, -0.0003083500000000 ] - [ 0.0040224300000000, -0.0048818800000000, 0.0000000000000000 ] - [ 0.0040224400000000, -0.0046980700000000, 0.0003083500000000 ] - [ -0.0090843100000000, -0.0050243500000000, 0.0000000000000000 ] - [ -0.0039955200000000, -0.0050761300000000, 0.0000344500000000 ] - [ -0.0040377500000000, -0.0048991000000000, 0.0000000000000000 ] - [ -0.0039955200000000, -0.0050761300000000, -0.0000344500000000 ] - [ 0.0118876200000000, 0.0147685400000000, 0.0000000000000000 ] - [ 0.0045602700000000, 0.0049859400000000, 0.0000530400000000 ] - [ 0.0038775400000000, 0.0051278000000000, 0.0000000000000000 ] - [ 0.0045602700000000, 0.0049859400000000, -0.0000530400000000 ] - [ -0.0030321000000000, -0.0044223900000000, 0.0000000000000000 ] - [ -0.0030830200000000, -0.0044200300000000, 0.0000773000000000 ] - [ -0.0030870700000000, -0.0045139400000000, 0.0000000000000000 ] - [ -0.0030830200000000, -0.0044200300000000, -0.0000773000000000 ] - [ 0.0033321000000000, 0.0041492700000000, 0.0000000000000000 ] - [ 0.0030203100000000, 0.0043998400000000, -0.0001496600000000 ] - [ 0.0030513700000000, 0.0044458400000000, 0.0000000000000000 ] - [ 0.0030203100000000, 0.0043998400000000, 0.0001496600000000 ] - [ -0.0385782100000000, 0.0132328500000000, 0.0000000000000000 ] - [ -0.0365366700000000, 0.0123758700000000, 0.0000030800000000 ] - [ -0.0366707400000000, 0.0120987400000000, 0.0000000000000000 ] - [ -0.0365366700000000, 0.0123758700000000, -0.0000030800000000 ] - [ 0.0368096100000000, -0.0119660100000000, 0.0000000000000000 ] - [ 0.0366231300000000, -0.0118088400000000, -0.0000587900000000 ] - [ 0.0367049800000000, -0.0119150300000000, 0.0000000000000000 ] - [ 0.0366231300000000, -0.0118088400000000, 0.0000587900000000 ] - [ -0.0263624600000000, 0.0029786900000000, 0.0000000000000000 ] - [ -0.0368263100000000, -0.0120550100000000, -0.0000542300000000 ] - [ -0.0368207800000000, -0.0121010000000000, 0.0000000000000000 ] - [ -0.0368263100000000, -0.0120550100000000, 0.0000542300000000 ] - [ 0.0366835800000000, 0.0122410900000000, 0.0000000000000000 ] - [ 0.0367011700000000, 0.0119265600000000, -0.0000244200000000 ] - [ 0.0367019900000000, 0.0120238300000000, 0.0000000000000000 ] - [ 0.0367011700000000, 0.0119265600000000, 0.0000244200000000 ] - [ -0.0049889200000000, 0.0702581400000000, 0.0000000000000000 ] - [ 0.0001141500000000, -0.0000416900000000, 0.0003399900000000 ] - [ 0.0000742500000000, 0.0001071900000000, 0.0000000000000000 ] - [ 0.0001141500000000, -0.0000416900000000, -0.0003399900000000 ] - [ 0.0002405000000000, -0.0000417800000000, 0.0000000000000000 ] - [ 0.0000029200000000, 0.0000106300000000, 0.0000124400000000 ] - [ -0.0000031600000000, 0.0000757500000000, 0.0000000000000000 ] - [ 0.0000029200000000, 0.0000106300000000, -0.0000124400000000 ] - [ 0.0535678800000000, -0.0372766300000000, 0.0128798400000000 ] - [ 0.0410767900000000, -0.0451401700000000, 0.0000843800000000 ] - [ 0.0410767900000000, -0.0451401700000000, -0.0000843800000000 ] - [ 0.0535678800000000, -0.0372766300000000, -0.0128798400000000 ] - [ -0.0410866600000000, 0.0463273100000000, -0.0000880900000000 ] - [ -0.0413373600000000, 0.0455003900000000, 0.0000467000000000 ] - [ -0.0413373600000000, 0.0455003900000000, -0.0000467000000000 ] - [ -0.0410866600000000, 0.0463273100000000, 0.0000880900000000 ] - [ 0.0419124700000000, 0.0456679600000000, 0.0009844100000000 ] - [ 0.0414281100000000, 0.0455064700000000, -0.0000155900000000 ] - [ 0.0414281100000000, 0.0455064700000000, 0.0000155900000000 ] - [ 0.0419124700000000, 0.0456679600000000, -0.0009844100000000 ] - [ -0.0416530900000000, -0.0455769700000000, -0.0006374600000000 ] - [ -0.0413058100000000, -0.0453626000000000, -0.0000121500000000 ] - [ -0.0413058100000000, -0.0453626000000000, 0.0000121500000000 ] - [ -0.0416530900000000, -0.0455769700000000, 0.0006374600000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0153582000000000, 0.0287889600000000, -0.0000158300000000 ] - [ 0.0162885100000000, 0.0294787700000000, 0.0006209200000000 ] - [ 0.0162885100000000, 0.0294787700000000, -0.0006209200000000 ] - [ 0.0153582000000000, 0.0287889600000000, 0.0000158300000000 ] - [ -0.0160908000000000, -0.0290325000000000, -0.0000507700000000 ] - [ -0.0159894600000000, -0.0289854100000000, -0.0001206900000000 ] - [ -0.0159894600000000, -0.0289854100000000, 0.0001206900000000 ] - [ -0.0160908000000000, -0.0290325000000000, 0.0000507700000000 ] - [ 0.0144656700000000, -0.0314542300000000, 0.0017800600000000 ] - [ 0.0159548900000000, -0.0290900900000000, -0.0000666400000000 ] - [ 0.0159548900000000, -0.0290900900000000, 0.0000666400000000 ] - [ 0.0144656700000000, -0.0314542300000000, -0.0017800600000000 ] - [ -0.0161293700000000, 0.0289932300000000, 0.0000225900000000 ] - [ -0.0160434000000000, 0.0290345800000000, -0.0000068500000000 ] - [ -0.0160434000000000, 0.0290345800000000, 0.0000068500000000 ] - [ -0.0161293700000000, 0.0289932300000000, -0.0000225900000000 ] - [ -0.0121238800000000, 0.0038881100000000, 0.0036622400000000 ] - [ -0.0169809600000000, 0.0049113000000000, -0.0001098500000000 ] - [ -0.0169809600000000, 0.0049113000000000, 0.0001098500000000 ] - [ -0.0121238800000000, 0.0038881100000000, -0.0036622400000000 ] - [ 0.0170864800000000, -0.0046253900000000, -0.0002544400000000 ] - [ 0.0167020800000000, -0.0048268100000000, -0.0000090300000000 ] - [ 0.0167020800000000, -0.0048268100000000, 0.0000090300000000 ] - [ 0.0170864800000000, -0.0046253900000000, 0.0002544400000000 ] - [ -0.0180148200000000, -0.0051034400000000, 0.0008083000000000 ] - [ -0.0167414400000000, -0.0049331200000000, -0.0001111600000000 ] - [ -0.0167414400000000, -0.0049331200000000, 0.0001111600000000 ] - [ -0.0180148200000000, -0.0051034400000000, -0.0008083000000000 ] - [ 0.0169118700000000, 0.0047513700000000, 0.0000139300000000 ] - [ 0.0167563900000000, 0.0048760900000000, -0.0000423100000000 ] - [ 0.0167563900000000, 0.0048760900000000, 0.0000423100000000 ] - [ 0.0169118700000000, 0.0047513700000000, -0.0000139300000000 ] - [ 0.0320298900000000, 0.1238028400000000, 0.0000000000000000 ] - [ 0.0032450400000000, -0.0036772700000000, 0.0000392200000000 ] - [ 0.0031840900000000, -0.0042100300000000, 0.0000000000000000 ] - [ 0.0032450400000000, -0.0036772700000000, -0.0000392200000000 ] - [ -0.0010355100000000, -0.0040340000000000, 0.0000000000000000 ] - [ -0.0030409800000000, 0.0044273700000000, 0.0000957800000000 ] - [ -0.0029873500000000, 0.0044670000000000, 0.0000000000000000 ] - [ -0.0030409800000000, 0.0044273700000000, -0.0000957800000000 ] - [ -0.0040112300000000, 0.0049393500000000, 0.0000000000000000 ] - [ -0.0041380300000000, 0.0049869500000000, -0.0000986500000000 ] - [ -0.0040477000000000, 0.0049677400000000, 0.0000000000000000 ] - [ -0.0041380300000000, 0.0049869500000000, 0.0000986500000000 ] - [ 0.0042057000000000, -0.0054202600000000, 0.0000000000000000 ] - [ 0.0039993500000000, -0.0052219400000000, 0.0003104500000000 ] - [ 0.0039961400000000, -0.0050344200000000, 0.0000000000000000 ] - [ 0.0039993500000000, -0.0052219400000000, -0.0003104500000000 ] - [ 0.0009722100000000, -0.0049147000000000, 0.0000000000000000 ] - [ -0.0040235500000000, -0.0048528400000000, -0.0000354200000000 ] - [ -0.0039807800000000, -0.0050259100000000, 0.0000000000000000 ] - [ -0.0040235500000000, -0.0048528400000000, 0.0000354200000000 ] - [ -0.0037544700000000, -0.0047346200000000, 0.0000000000000000 ] - [ 0.0034710000000000, 0.0049292200000000, -0.0000712100000000 ] - [ 0.0041441300000000, 0.0047954300000000, 0.0000000000000000 ] - [ 0.0034710000000000, 0.0049292200000000, 0.0000712100000000 ] - [ -0.0031110700000000, -0.0045196600000000, 0.0000000000000000 ] - [ -0.0030607700000000, -0.0045244100000000, -0.0000782700000000 ] - [ -0.0030605400000000, -0.0044259900000000, 0.0000000000000000 ] - [ -0.0030607700000000, -0.0045244100000000, 0.0000782700000000 ] - [ 0.0028177100000000, 0.0047941500000000, 0.0000000000000000 ] - [ 0.0031258800000000, 0.0045473900000000, 0.0001478900000000 ] - [ 0.0030968300000000, 0.0044954400000000, 0.0000000000000000 ] - [ 0.0031258800000000, 0.0045473900000000, -0.0001478900000000 ] - [ -0.0348882600000000, 0.0107259100000000, 0.0000000000000000 ] - [ -0.0368918400000000, 0.0115316700000000, 0.0000245800000000 ] - [ -0.0367799900000000, 0.0118313600000000, 0.0000000000000000 ] - [ -0.0368918400000000, 0.0115316700000000, -0.0000245800000000 ] - [ 0.0366390200000000, -0.0119714900000000, 0.0000000000000000 ] - [ 0.0368242500000000, -0.0121209100000000, 0.0000580600000000 ] - [ 0.0367458800000000, -0.0120186400000000, 0.0000000000000000 ] - [ 0.0368242500000000, -0.0121209100000000, -0.0000580600000000 ] - [ -0.0477476400000000, -0.0274606900000000, 0.0000000000000000 ] - [ -0.0366356000000000, -0.0118848900000000, 0.0000583900000000 ] - [ -0.0366372700000000, -0.0118375500000000, 0.0000000000000000 ] - [ -0.0366356000000000, -0.0118848900000000, -0.0000583900000000 ] - [ 0.0367639300000000, 0.0116985100000000, 0.0000000000000000 ] - [ 0.0367487200000000, 0.0120085800000000, 0.0000257400000000 ] - [ 0.0367424700000000, 0.0119057600000000, 0.0000000000000000 ] - [ 0.0367487200000000, 0.0120085800000000, -0.0000257400000000 ] - [ 0.0045341900000000, -0.0668422500000000, 0.0000000000000000 ] - [ -0.0001090900000000, 0.0000401700000000, -0.0003479400000000 ] - [ -0.0000712200000000, -0.0001088300000000, 0.0000000000000000 ] - [ -0.0001090900000000, 0.0000401700000000, 0.0003479400000000 ] - [ -0.0002397100000000, 0.0000449000000000, 0.0000000000000000 ] - [ -0.0000004900000000, -0.0000090800000000, -0.0000139400000000 ] - [ 0.0000040300000000, -0.0000750400000000, 0.0000000000000000 ] - [ -0.0000004900000000, -0.0000090800000000, 0.0000139400000000 ] - [ 0.0289647400000000, -0.0535655100000000, -0.0128632500000000 ] - [ 0.0414974300000000, -0.0455990800000000, -0.0000715000000000 ] - [ 0.0414974300000000, -0.0455990800000000, 0.0000715000000000 ] - [ 0.0289647400000000, -0.0535655100000000, 0.0128632500000000 ] - [ -0.0414906100000000, 0.0444224200000000, 0.0000940300000000 ] - [ -0.0412421500000000, 0.0452312400000000, -0.0000428100000000 ] - [ -0.0412421500000000, 0.0452312400000000, 0.0000428100000000 ] - [ -0.0414906100000000, 0.0444224200000000, -0.0000940300000000 ] - [ 0.0406336700000000, 0.0450399100000000, -0.0009696100000000 ] - [ 0.0411472300000000, 0.0452230200000000, 0.0000164800000000 ] - [ 0.0411472300000000, 0.0452230200000000, -0.0000164800000000 ] - [ 0.0406336700000000, 0.0450399100000000, 0.0009696100000000 ] - [ -0.0409237700000000, -0.0451533300000000, 0.0006377000000000 ] - [ -0.0412721100000000, -0.0453672600000000, 0.0000128900000000 ] - [ -0.0412721100000000, -0.0453672600000000, -0.0000128900000000 ] - [ -0.0409237700000000, -0.0451533300000000, -0.0006377000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0206861600000000, 0.0283650400000000, -0.0009407800000000 ] - [ 0.0162631800000000, 0.0286427600000000, -0.0000831500000000 ] - [ 0.0157751900000000, 0.0294737700000000, -0.0000850600000000 ] - [ 0.0113988500000000, 0.0297382800000000, -0.0009262300000000 ] - [ -0.0160048100000000, -0.0291055200000000, 0.0000340000000000 ] - [ -0.0160356100000000, -0.0290284000000000, -0.0000317000000000 ] - [ -0.0160019900000000, -0.0290905100000000, -0.0000282100000000 ] - [ -0.0160287900000000, -0.0290088400000000, 0.0000356500000000 ] - [ 0.0152091300000000, -0.0304135900000000, 0.0002791100000000 ] - [ 0.0160149200000000, -0.0290754600000000, 0.0001118800000000 ] - [ 0.0160352000000000, -0.0290343100000000, 0.0001132300000000 ] - [ 0.0168374900000000, -0.0277129000000000, 0.0002701700000000 ] - [ -0.0160421100000000, 0.0290125300000000, -0.0000248500000000 ] - [ -0.0160027600000000, 0.0290495800000000, 0.0000227300000000 ] - [ -0.0160379800000000, 0.0290536100000000, 0.0000197000000000 ] - [ -0.0160064000000000, 0.0290934800000000, -0.0000274100000000 ] - [ -0.0135291000000000, 0.0019832800000000, 0.0017102700000000 ] - [ -0.0167943300000000, 0.0049073100000000, 0.0002046100000000 ] - [ -0.0168459200000000, 0.0048607600000000, 0.0002037500000000 ] - [ -0.0200767300000000, 0.0077490900000000, 0.0017058200000000 ] - [ 0.0169577000000000, -0.0049997300000000, -0.0001974000000000 ] - [ 0.0168296100000000, -0.0048881500000000, -0.0000119400000000 ] - [ 0.0168120100000000, -0.0048719300000000, -0.0000083300000000 ] - [ 0.0166843200000000, -0.0047705800000000, -0.0001951300000000 ] - [ -0.0187772700000000, -0.0051639600000000, 0.0007789300000000 ] - [ -0.0167578700000000, -0.0048545100000000, -0.0000253400000000 ] - [ -0.0168787400000000, -0.0048814400000000, -0.0000250200000000 ] - [ -0.0148708400000000, -0.0045647100000000, 0.0007810800000000 ] - [ 0.0166423800000000, 0.0048071200000000, -0.0000923900000000 ] - [ 0.0167963000000000, 0.0049080000000000, 0.0000269100000000 ] - [ 0.0168363500000000, 0.0048367800000000, 0.0000245200000000 ] - [ 0.0169970600000000, 0.0049347700000000, -0.0000997300000000 ] - [ 0.0020154600000000, -0.0046434800000000, -0.0821445900000000 ] - [ 0.0043979900000000, -0.0044218100000000, 0.0074447800000000 ] - [ 0.0030739800000000, -0.0044664500000000, -0.0004568000000000 ] - [ 0.0017763700000000, -0.0045146000000000, 0.0072547100000000 ] - [ -0.0030725600000000, 0.0044674200000000, -0.0020892000000000 ] - [ -0.0029776800000000, 0.0043742500000000, -0.0001042900000000 ] - [ -0.0030700000000000, 0.0044723100000000, -0.0000831100000000 ] - [ -0.0031629800000000, 0.0045634900000000, -0.0001009200000000 ] - [ -0.0040100600000000, 0.0049725200000000, 0.0002372600000000 ] - [ -0.0039748600000000, 0.0050455700000000, -0.0001825700000000 ] - [ -0.0040105800000000, 0.0049682200000000, 0.0000334500000000 ] - [ -0.0040448600000000, 0.0048940500000000, -0.0001832100000000 ] - [ 0.0040134500000000, -0.0049691000000000, -0.0001737400000000 ] - [ 0.0039248900000000, -0.0050398000000000, 0.0000918100000000 ] - [ 0.0040112000000000, -0.0049715200000000, 0.0000589400000000 ] - [ 0.0040951500000000, -0.0048989200000000, 0.0000957100000000 ] - [ -0.0040086000000000, -0.0049656500000000, -0.0007856600000000 ] - [ -0.0039864400000000, -0.0049158700000000, -0.0001673000000000 ] - [ -0.0040116900000000, -0.0049639700000000, -0.0000475800000000 ] - [ -0.0040351900000000, -0.0050111700000000, -0.0001679800000000 ] - [ 0.0040200900000000, 0.0049742900000000, -0.0035564800000000 ] - [ 0.0036113000000000, 0.0061884100000000, 0.0015592000000000 ] - [ 0.0040118800000000, 0.0049615900000000, 0.0002431400000000 ] - [ 0.0044113800000000, 0.0037275700000000, 0.0015497000000000 ] - [ -0.0030601000000000, -0.0044758400000000, 0.0000581500000000 ] - [ -0.0030135200000000, -0.0045509600000000, 0.0000863700000000 ] - [ -0.0030633000000000, -0.0044723300000000, -0.0000228300000000 ] - [ -0.0031084600000000, -0.0043973600000000, 0.0000842400000000 ] - [ 0.0030695700000000, 0.0044675500000000, 0.0001743000000000 ] - [ 0.0033957100000000, 0.0043257200000000, 0.0000351200000000 ] - [ 0.0030602800000000, 0.0044749100000000, 0.0000115100000000 ] - [ 0.0027281000000000, 0.0046203400000000, 0.0000362000000000 ] - [ -0.0367400800000000, 0.0119862800000000, -0.0018978700000000 ] - [ -0.0370309700000000, 0.0123285100000000, -0.0001531500000000 ] - [ -0.0367322600000000, 0.0119700600000000, 0.0002189500000000 ] - [ -0.0364396100000000, 0.0116067900000000, -0.0001524200000000 ] - [ 0.0367317000000000, -0.0119715900000000, -0.0000963500000000 ] - [ 0.0367588300000000, -0.0120410700000000, 0.0000208600000000 ] - [ 0.0367322800000000, -0.0119708700000000, -0.0000496200000000 ] - [ 0.0367025300000000, -0.0118985400000000, 0.0000212100000000 ] - [ -0.0367101100000000, -0.0119670600000000, 0.0019146500000000 ] - [ -0.0364884600000000, -0.0118730200000000, -0.0002814300000000 ] - [ -0.0367247700000000, -0.0119662300000000, -0.0000558000000000 ] - [ -0.0369618600000000, -0.0120605600000000, -0.0002839500000000 ] - [ 0.0367226300000000, 0.0119679200000000, 0.0001485600000000 ] - [ 0.0367368700000000, 0.0119353500000000, -0.0000238700000000 ] - [ 0.0367214700000000, 0.0119640400000000, -0.0000364600000000 ] - [ 0.0367079900000000, 0.0119925400000000, -0.0000265500000000 ] - [ 0.0000595100000000, -0.0001376600000000, 0.0032337400000000 ] - [ -0.0004010200000000, 0.0005277000000000, 0.0007149900000000 ] - [ -0.0000006400000000, -0.0000018400000000, 0.0002244100000000 ] - [ 0.0004007700000000, -0.0005238900000000, 0.0007152700000000 ] - [ 0.0000051400000000, 0.0000036400000000, 0.0000403900000000 ] - [ 0.0000584000000000, 0.0000238700000000, 0.0000337800000000 ] - [ -0.0000005200000000, -0.0000002700000000, 0.0000008800000000 ] - [ -0.0000582500000000, -0.0000231000000000, 0.0000353000000000 ] - [ 0.0614159300000000, -0.0382358200000000, 0.0305944500000000 ] - [ 0.0408165700000000, -0.0452548600000000, 0.0000895800000000 ] - [ 0.0417554200000000, -0.0454858400000000, 0.0000681100000000 ] - [ 0.0220240500000000, -0.0521462200000000, 0.0300174900000000 ] - [ -0.0418371700000000, 0.0453095000000000, 0.0008117300000000 ] - [ -0.0411991100000000, 0.0453382500000000, -0.0000047200000000 ] - [ -0.0413778500000000, 0.0453998700000000, -0.0000062300000000 ] - [ -0.0407429300000000, 0.0454256500000000, 0.0008193400000000 ] - [ 0.0408850400000000, 0.0455154600000000, 0.0007183600000000 ] - [ 0.0412588100000000, 0.0453582100000000, -0.0001816300000000 ] - [ 0.0413128300000000, 0.0453707800000000, -0.0001835800000000 ] - [ 0.0416917600000000, 0.0452216400000000, 0.0007061600000000 ] - [ -0.0412485600000000, -0.0451919800000000, 0.0000077100000000 ] - [ -0.0412757900000000, -0.0453655400000000, -0.0000198200000000 ] - [ -0.0412953800000000, -0.0453627200000000, -0.0000214100000000 ] - [ -0.0413236800000000, -0.0455384000000000, 0.0000109100000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0159152200000000, 0.0290704500000000, 0.0000181400000000 ] - [ 0.0159417900000000, 0.0290773100000000, -0.0000511900000000 ] - [ 0.0159417900000000, 0.0290773100000000, 0.0000511900000000 ] - [ 0.0159152200000000, 0.0290704500000000, -0.0000181400000000 ] - [ -0.0161532800000000, -0.0290324200000000, -0.0001593500000000 ] - [ -0.0161154100000000, -0.0290298900000000, 0.0001011500000000 ] - [ -0.0161154100000000, -0.0290298900000000, -0.0001011500000000 ] - [ -0.0161532800000000, -0.0290324200000000, 0.0001593500000000 ] - [ 0.0155463800000000, -0.0286155500000000, 0.0004976100000000 ] - [ 0.0160360600000000, -0.0291290900000000, 0.0000392600000000 ] - [ 0.0160360600000000, -0.0291290900000000, -0.0000392600000000 ] - [ 0.0155463800000000, -0.0286155500000000, -0.0004976100000000 ] - [ -0.0146450000000000, 0.0327032400000000, -0.0029936700000000 ] - [ -0.0159385700000000, 0.0288595400000000, 0.0001003800000000 ] - [ -0.0159385700000000, 0.0288595400000000, -0.0001003800000000 ] - [ -0.0146450000000000, 0.0327032400000000, 0.0029936700000000 ] - [ -0.0172140300000000, 0.0044251300000000, 0.0000753700000000 ] - [ -0.0168634400000000, 0.0048337000000000, 0.0000130500000000 ] - [ -0.0168634400000000, 0.0048337000000000, -0.0000130500000000 ] - [ -0.0172140300000000, 0.0044251300000000, -0.0000753700000000 ] - [ 0.0165815200000000, -0.0048732200000000, -0.0000719600000000 ] - [ 0.0167729000000000, -0.0048408400000000, -0.0000004700000000 ] - [ 0.0167729000000000, -0.0048408400000000, 0.0000004700000000 ] - [ 0.0165815200000000, -0.0048732200000000, 0.0000719600000000 ] - [ -0.0168000100000000, -0.0048268200000000, 0.0000279900000000 ] - [ -0.0170270300000000, -0.0048756700000000, 0.0001591400000000 ] - [ -0.0170270300000000, -0.0048756700000000, -0.0001591400000000 ] - [ -0.0168000100000000, -0.0048268200000000, -0.0000279900000000 ] - [ 0.0169674800000000, 0.0042046400000000, 0.0002694100000000 ] - [ 0.0165015600000000, 0.0050837100000000, -0.0005864700000000 ] - [ 0.0165015600000000, 0.0050837100000000, 0.0005864700000000 ] - [ 0.0169674800000000, 0.0042046400000000, -0.0002694100000000 ] - [ 0.0030528700000000, -0.0044774700000000, 0.0000000000000000 ] - [ 0.0031506900000000, -0.0043480300000000, -0.0000369400000000 ] - [ 0.0030710800000000, -0.0044382100000000, 0.0000000000000000 ] - [ 0.0031506900000000, -0.0043480300000000, 0.0000369400000000 ] - [ -0.0032155400000000, 0.0042832200000000, 0.0000000000000000 ] - [ -0.0031764600000000, 0.0044874300000000, -0.0000881600000000 ] - [ -0.0030450000000000, 0.0044919200000000, 0.0000000000000000 ] - [ -0.0031764600000000, 0.0044874300000000, 0.0000881600000000 ] - [ -0.0996346800000000, 0.0209180600000000, 0.0000000000000000 ] - [ -0.0046731200000000, 0.0048716600000000, 0.0000449700000000 ] - [ -0.0041770400000000, 0.0052144300000000, 0.0000000000000000 ] - [ -0.0046731200000000, 0.0048716600000000, -0.0000449700000000 ] - [ 0.0137477200000000, -0.0038319400000000, 0.0000000000000000 ] - [ 0.0039488100000000, -0.0049370700000000, -0.0000910200000000 ] - [ 0.0040005400000000, -0.0048672100000000, 0.0000000000000000 ] - [ 0.0039488100000000, -0.0049370700000000, 0.0000910200000000 ] - [ -0.0041369600000000, -0.0051870800000000, 0.0000000000000000 ] - [ -0.0040941200000000, -0.0051080200000000, -0.0000070000000000 ] - [ -0.0040302200000000, -0.0049202500000000, 0.0000000000000000 ] - [ -0.0040941200000000, -0.0051080200000000, 0.0000070000000000 ] - [ 0.0038120200000000, 0.0051019000000000, 0.0000000000000000 ] - [ 0.0039506100000000, 0.0049714600000000, 0.0001499700000000 ] - [ 0.0040089200000000, 0.0049452700000000, 0.0000000000000000 ] - [ 0.0039506100000000, 0.0049714600000000, -0.0001499700000000 ] - [ 0.0019118800000000, -0.0123437600000000, 0.0000000000000000 ] - [ -0.0037112500000000, -0.0050241600000000, -0.0004022700000000 ] - [ -0.0029192200000000, -0.0043439600000000, 0.0000000000000000 ] - [ -0.0037112500000000, -0.0050241600000000, 0.0004022700000000 ] - [ 0.0043364400000000, 0.0095649300000000, 0.0000000000000000 ] - [ 0.0029720500000000, 0.0044650300000000, -0.0000277800000000 ] - [ 0.0032179700000000, 0.0045076900000000, 0.0000000000000000 ] - [ 0.0029720500000000, 0.0044650300000000, 0.0000277800000000 ] - [ -0.0363418300000000, 0.0119319100000000, 0.0000000000000000 ] - [ -0.0366684400000000, 0.0120205400000000, 0.0000077700000000 ] - [ -0.0367148100000000, 0.0119884900000000, 0.0000000000000000 ] - [ -0.0366684400000000, 0.0120205400000000, -0.0000077700000000 ] - [ 0.0364381800000000, -0.0117240900000000, 0.0000000000000000 ] - [ 0.0367099100000000, -0.0120596000000000, -0.0000296200000000 ] - [ 0.0367034400000000, -0.0119175500000000, 0.0000000000000000 ] - [ 0.0367099100000000, -0.0120596000000000, 0.0000296200000000 ] - [ -0.0369574600000000, -0.0119597300000000, 0.0000000000000000 ] - [ -0.0365572000000000, -0.0119250100000000, -0.0001031100000000 ] - [ -0.0366465800000000, -0.0120345600000000, 0.0000000000000000 ] - [ -0.0365572000000000, -0.0119250100000000, 0.0001031100000000 ] - [ 0.0387818100000000, 0.0146709200000000, 0.0000000000000000 ] - [ 0.0369063200000000, 0.0118077900000000, 0.0001971600000000 ] - [ 0.0368557700000000, 0.0120113100000000, 0.0000000000000000 ] - [ 0.0369063200000000, 0.0118077900000000, -0.0001971600000000 ] - [ -0.0000042400000000, 0.0001193900000000, 0.0000000000000000 ] - [ 0.0000041700000000, 0.0000592100000000, 0.0000016700000000 ] - [ 0.0000631900000000, 0.0000206500000000, 0.0000000000000000 ] - [ 0.0000041700000000, 0.0000592100000000, -0.0000016700000000 ] - [ 0.0656053300000000, -0.0074857800000000, 0.0000000000000000 ] - [ -0.0001138700000000, -0.0001831400000000, 0.0003998100000000 ] - [ 0.0001778000000000, -0.0001723400000000, 0.0000000000000000 ] - [ -0.0001138700000000, -0.0001831400000000, -0.0003998100000000 ] - [ 0.0415369600000000, -0.0456382600000000, -0.0006463800000000 ] - [ 0.0412936800000000, -0.0453754900000000, 0.0000723200000000 ] - [ 0.0412936800000000, -0.0453754900000000, -0.0000723200000000 ] - [ 0.0415369600000000, -0.0456382600000000, 0.0006463800000000 ] - [ -0.0408777700000000, 0.0454972800000000, -0.0000530000000000 ] - [ -0.0411629600000000, 0.0452684500000000, -0.0001458900000000 ] - [ -0.0411629600000000, 0.0452684500000000, 0.0001458900000000 ] - [ -0.0408777700000000, 0.0454972800000000, 0.0000530000000000 ] - [ 0.0423205900000000, 0.0442016700000000, -0.0008031300000000 ] - [ 0.0414308300000000, 0.0454802100000000, 0.0000550600000000 ] - [ 0.0414308300000000, 0.0454802100000000, -0.0000550600000000 ] - [ 0.0423205900000000, 0.0442016700000000, 0.0008031300000000 ] - [ -0.0353687200000000, -0.0514508000000000, 0.0082035600000000 ] - [ -0.0413075400000000, -0.0451484200000000, 0.0003284300000000 ] - [ -0.0413075400000000, -0.0451484200000000, -0.0003284300000000 ] - [ -0.0353687200000000, -0.0514508000000000, -0.0082035600000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0161122900000000, 0.0290407100000000, -0.0000173400000000 ] - [ 0.0160892900000000, 0.0290347000000000, 0.0000518700000000 ] - [ 0.0160892900000000, 0.0290347000000000, -0.0000518700000000 ] - [ 0.0161122900000000, 0.0290407100000000, 0.0000173400000000 ] - [ -0.0158724400000000, -0.0290799400000000, 0.0001598900000000 ] - [ -0.0159199100000000, -0.0290847900000000, -0.0001025000000000 ] - [ -0.0159199100000000, -0.0290847900000000, 0.0001025000000000 ] - [ -0.0158724400000000, -0.0290799400000000, -0.0001598900000000 ] - [ 0.0164754700000000, -0.0294942500000000, -0.0004965200000000 ] - [ 0.0159978600000000, -0.0289857400000000, -0.0000392200000000 ] - [ 0.0159978600000000, -0.0289857400000000, 0.0000392200000000 ] - [ 0.0164754700000000, -0.0294942500000000, 0.0004965200000000 ] - [ -0.0173919600000000, 0.0253724000000000, 0.0030295700000000 ] - [ -0.0160853900000000, 0.0292530500000000, -0.0001060700000000 ] - [ -0.0160853900000000, 0.0292530500000000, 0.0001060700000000 ] - [ -0.0173919600000000, 0.0253724000000000, -0.0030295700000000 ] - [ -0.0164238200000000, 0.0053327300000000, -0.0000838900000000 ] - [ -0.0167765400000000, 0.0049289100000000, -0.0000125900000000 ] - [ -0.0167765400000000, 0.0049289100000000, 0.0000125900000000 ] - [ -0.0164238200000000, 0.0053327300000000, 0.0000838900000000 ] - [ 0.0170658800000000, -0.0048885800000000, 0.0000735600000000 ] - [ 0.0168684300000000, -0.0049163900000000, -0.0000016100000000 ] - [ 0.0168684300000000, -0.0049163900000000, 0.0000016100000000 ] - [ 0.0170658800000000, -0.0048885800000000, -0.0000735600000000 ] - [ -0.0168451800000000, -0.0049400700000000, -0.0000321100000000 ] - [ -0.0166173100000000, -0.0048800500000000, -0.0001556400000000 ] - [ -0.0166173100000000, -0.0048800500000000, 0.0001556400000000 ] - [ -0.0168451800000000, -0.0049400700000000, 0.0000321100000000 ] - [ 0.0166818500000000, 0.0055656300000000, -0.0002713100000000 ] - [ 0.0171516200000000, 0.0046748300000000, 0.0006002900000000 ] - [ 0.0171516200000000, 0.0046748300000000, -0.0006002900000000 ] - [ 0.0166818500000000, 0.0055656300000000, 0.0002713100000000 ] - [ 0.0030918000000000, -0.0044707500000000, 0.0000000000000000 ] - [ 0.0029923000000000, -0.0045956100000000, 0.0000340800000000 ] - [ 0.0030712400000000, -0.0045056900000000, 0.0000000000000000 ] - [ 0.0029923000000000, -0.0045956100000000, -0.0000340800000000 ] - [ -0.0029334100000000, 0.0046589500000000, 0.0000000000000000 ] - [ -0.0029623200000000, 0.0044551300000000, 0.0000850900000000 ] - [ -0.0030916700000000, 0.0044546400000000, 0.0000000000000000 ] - [ -0.0029623200000000, 0.0044551300000000, -0.0000850900000000 ] - [ 0.0883264600000000, -0.0109560300000000, 0.0000000000000000 ] - [ -0.0033538000000000, 0.0050384100000000, -0.0000572700000000 ] - [ -0.0038406800000000, 0.0047020500000000, 0.0000000000000000 ] - [ -0.0033538000000000, 0.0050384100000000, 0.0000572700000000 ] - [ -0.0055224200000000, -0.0060626400000000, 0.0000000000000000 ] - [ 0.0040701400000000, -0.0049827400000000, 0.0000833000000000 ] - [ 0.0040207400000000, -0.0050567200000000, 0.0000000000000000 ] - [ 0.0040701400000000, -0.0049827400000000, -0.0000833000000000 ] - [ -0.0038811000000000, -0.0047309600000000, 0.0000000000000000 ] - [ -0.0039199400000000, -0.0048136600000000, 0.0000019500000000 ] - [ -0.0039877500000000, -0.0050066100000000, 0.0000000000000000 ] - [ -0.0039199400000000, -0.0048136600000000, -0.0000019500000000 ] - [ 0.0042083400000000, 0.0048151700000000, 0.0000000000000000 ] - [ 0.0040645900000000, 0.0049463400000000, -0.0001522600000000 ] - [ 0.0040073200000000, 0.0049760200000000, 0.0000000000000000 ] - [ 0.0040645900000000, 0.0049463400000000, 0.0001522600000000 ] - [ -0.0080649200000000, 0.0033089500000000, 0.0000000000000000 ] - [ -0.0024420900000000, -0.0039262000000000, 0.0003942200000000 ] - [ -0.0032337300000000, -0.0046035100000000, 0.0000000000000000 ] - [ -0.0024420900000000, -0.0039262000000000, -0.0003942200000000 ] - [ 0.0018379400000000, -0.0005010600000000, 0.0000000000000000 ] - [ 0.0031680900000000, 0.0044837200000000, 0.0000231500000000 ] - [ 0.0029211100000000, 0.0044402600000000, 0.0000000000000000 ] - [ 0.0031680900000000, 0.0044837200000000, -0.0000231500000000 ] - [ -0.0371101600000000, 0.0120032500000000, 0.0000000000000000 ] - [ -0.0367866600000000, 0.0119185800000000, -0.0000064400000000 ] - [ -0.0367353300000000, 0.0119456800000000, 0.0000000000000000 ] - [ -0.0367866600000000, 0.0119185800000000, 0.0000064400000000 ] - [ 0.0370213300000000, -0.0122205600000000, 0.0000000000000000 ] - [ 0.0367418800000000, -0.0118758400000000, 0.0000279700000000 ] - [ 0.0367502800000000, -0.0120177400000000, 0.0000000000000000 ] - [ 0.0367418800000000, -0.0118758400000000, -0.0000279700000000 ] - [ -0.0364955300000000, -0.0119807700000000, 0.0000000000000000 ] - [ -0.0368964600000000, -0.0120113100000000, 0.0001001100000000 ] - [ -0.0368049000000000, -0.0118998100000000, 0.0000000000000000 ] - [ -0.0368964600000000, -0.0120113100000000, -0.0001001100000000 ] - [ 0.0346876100000000, 0.0092593200000000, 0.0000000000000000 ] - [ 0.0365279900000000, 0.0121187100000000, -0.0001728100000000 ] - [ 0.0366004700000000, 0.0119281300000000, 0.0000000000000000 ] - [ 0.0365279900000000, 0.0121187100000000, 0.0001728100000000 ] - [ 0.0000009800000000, -0.0001183900000000, 0.0000000000000000 ] - [ -0.0000060800000000, -0.0000591700000000, -0.0000036600000000 ] - [ -0.0000617700000000, -0.0000211600000000, 0.0000000000000000 ] - [ -0.0000060800000000, -0.0000591700000000, 0.0000036600000000 ] - [ -0.0623366200000000, 0.0072944000000000, 0.0000000000000000 ] - [ 0.0001127900000000, 0.0001792600000000, -0.0004071000000000 ] - [ -0.0001833100000000, 0.0001685500000000, 0.0000000000000000 ] - [ 0.0001127900000000, 0.0001792600000000, 0.0004071000000000 ] - [ 0.0410374600000000, -0.0450953100000000, 0.0006457700000000 ] - [ 0.0412833800000000, -0.0453557700000000, -0.0000706400000000 ] - [ 0.0412833800000000, -0.0453557700000000, 0.0000706400000000 ] - [ 0.0410374600000000, -0.0450953100000000, -0.0006457700000000 ] - [ -0.0416962900000000, 0.0452323700000000, 0.0000528100000000 ] - [ -0.0414135200000000, 0.0454619800000000, 0.0001475700000000 ] - [ -0.0414135200000000, 0.0454619800000000, -0.0001475700000000 ] - [ -0.0416962900000000, 0.0452323700000000, -0.0000528100000000 ] - [ 0.0402819200000000, 0.0465174100000000, 0.0008144700000000 ] - [ 0.0411481600000000, 0.0452525400000000, -0.0000504400000000 ] - [ 0.0411481600000000, 0.0452525400000000, 0.0000504400000000 ] - [ 0.0402819200000000, 0.0465174100000000, -0.0008144700000000 ] - [ -0.0473187100000000, -0.0391442200000000, -0.0083256300000000 ] - [ -0.0412741500000000, -0.0455792400000000, -0.0003178600000000 ] - [ -0.0412741500000000, -0.0455792400000000, 0.0003178600000000 ] - [ -0.0473187100000000, -0.0391442200000000, 0.0083256300000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0160191500000000, 0.0290338500000000, 0.0000115300000000 ] - [ 0.0160270900000000, 0.0291452800000000, 0.0001051200000000 ] - [ 0.0160270900000000, 0.0291452800000000, -0.0001051200000000 ] - [ 0.0160191500000000, 0.0290338500000000, -0.0000115300000000 ] - [ -0.0160373900000000, -0.0290294100000000, 0.0000615700000000 ] - [ -0.0158703200000000, -0.0291181500000000, -0.0000251700000000 ] - [ -0.0158703200000000, -0.0291181500000000, 0.0000251700000000 ] - [ -0.0160373900000000, -0.0290294100000000, -0.0000615700000000 ] - [ 0.0162320900000000, -0.0288688600000000, 0.0000360300000000 ] - [ 0.0159604100000000, -0.0289896600000000, -0.0000225500000000 ] - [ 0.0159604100000000, -0.0289896600000000, 0.0000225500000000 ] - [ 0.0162320900000000, -0.0288688600000000, -0.0000360300000000 ] - [ -0.0133741000000000, 0.0298754800000000, -0.0007170700000000 ] - [ -0.0160268900000000, 0.0291589900000000, 0.0001036300000000 ] - [ -0.0160268900000000, 0.0291589900000000, -0.0001036300000000 ] - [ -0.0133741000000000, 0.0298754800000000, 0.0007170700000000 ] - [ -0.0169408000000000, 0.0057213200000000, 0.0011453100000000 ] - [ -0.0169005600000000, 0.0048765600000000, -0.0000289500000000 ] - [ -0.0169005600000000, 0.0048765600000000, 0.0000289500000000 ] - [ -0.0169408000000000, 0.0057213200000000, -0.0011453100000000 ] - [ 0.0169052000000000, -0.0048279700000000, 0.0000187700000000 ] - [ 0.0168836600000000, -0.0048776200000000, -0.0000323500000000 ] - [ 0.0168836600000000, -0.0048776200000000, 0.0000323500000000 ] - [ 0.0169052000000000, -0.0048279700000000, -0.0000187700000000 ] - [ -0.0167449400000000, -0.0047404300000000, -0.0000931200000000 ] - [ -0.0167841600000000, -0.0049145100000000, -0.0000595700000000 ] - [ -0.0167841600000000, -0.0049145100000000, 0.0000595700000000 ] - [ -0.0167449400000000, -0.0047404300000000, 0.0000931200000000 ] - [ 0.0168166700000000, 0.0062537000000000, 0.0007208400000000 ] - [ 0.0167986100000000, 0.0046476400000000, 0.0000831100000000 ] - [ 0.0167986100000000, 0.0046476400000000, -0.0000831100000000 ] - [ 0.0168166700000000, 0.0062537000000000, -0.0007208400000000 ] - [ 0.0030045000000000, -0.0044465400000000, 0.0000000000000000 ] - [ 0.0032068000000000, -0.0044951700000000, -0.0000799800000000 ] - [ 0.0031190200000000, -0.0044749900000000, 0.0000000000000000 ] - [ 0.0032068000000000, -0.0044951700000000, 0.0000799800000000 ] - [ -0.0024886000000000, 0.0049189600000000, 0.0000000000000000 ] - [ -0.0028282300000000, 0.0047258000000000, -0.0000672600000000 ] - [ -0.0030597100000000, 0.0045437800000000, 0.0000000000000000 ] - [ -0.0028282300000000, 0.0047258000000000, 0.0000672600000000 ] - [ 0.0118205400000000, -0.0972800200000000, 0.0000000000000000 ] - [ -0.0040907700000000, 0.0028348300000000, 0.0009878400000000 ] - [ -0.0037520300000000, 0.0046330600000000, 0.0000000000000000 ] - [ -0.0040907700000000, 0.0028348300000000, -0.0009878400000000 ] - [ 0.0051155800000000, -0.0068415700000000, 0.0000000000000000 ] - [ 0.0040338800000000, -0.0050164000000000, -0.0000099200000000 ] - [ 0.0041075400000000, -0.0049402900000000, 0.0000000000000000 ] - [ 0.0040338800000000, -0.0050164000000000, 0.0000099200000000 ] - [ -0.0037840100000000, -0.0042286500000000, 0.0000000000000000 ] - [ -0.0038661500000000, -0.0046828100000000, -0.0001171700000000 ] - [ -0.0040577900000000, -0.0049574600000000, 0.0000000000000000 ] - [ -0.0038661500000000, -0.0046828100000000, 0.0001171700000000 ] - [ 0.0038662800000000, 0.0044265200000000, 0.0000000000000000 ] - [ 0.0039979100000000, 0.0048488700000000, 0.0000083800000000 ] - [ 0.0040280200000000, 0.0048768200000000, 0.0000000000000000 ] - [ 0.0039979100000000, 0.0048488700000000, -0.0000083800000000 ] - [ -0.0137556800000000, 0.0052146800000000, 0.0000000000000000 ] - [ -0.0050196100000000, -0.0044365900000000, -0.0012282300000000 ] - [ -0.0030651100000000, -0.0042966100000000, 0.0000000000000000 ] - [ -0.0050196100000000, -0.0044365900000000, 0.0012282300000000 ] - [ 0.0058435000000000, 0.0044126300000000, 0.0000000000000000 ] - [ 0.0030591500000000, 0.0043520100000000, 0.0000480700000000 ] - [ 0.0031131200000000, 0.0045264100000000, 0.0000000000000000 ] - [ 0.0030591500000000, 0.0043520100000000, -0.0000480700000000 ] - [ -0.0369053900000000, 0.0119757700000000, 0.0000000000000000 ] - [ -0.0366372300000000, 0.0121709700000000, 0.0000104800000000 ] - [ -0.0367466900000000, 0.0120087500000000, 0.0000000000000000 ] - [ -0.0366372300000000, 0.0121709700000000, -0.0000104800000000 ] - [ 0.0371403200000000, -0.0125954500000000, 0.0000000000000000 ] - [ 0.0366367200000000, -0.0119616400000000, -0.0000778400000000 ] - [ 0.0366333800000000, -0.0119694500000000, 0.0000000000000000 ] - [ 0.0366367200000000, -0.0119616400000000, 0.0000778400000000 ] - [ -0.0364882600000000, -0.0119404100000000, 0.0000000000000000 ] - [ -0.0367441900000000, -0.0120122300000000, 0.0000303700000000 ] - [ -0.0366877200000000, -0.0119480700000000, 0.0000000000000000 ] - [ -0.0367441900000000, -0.0120122300000000, -0.0000303700000000 ] - [ 0.0374608400000000, 0.0159633700000000, 0.0000000000000000 ] - [ 0.0369975300000000, 0.0118718300000000, -0.0009872400000000 ] - [ 0.0367563200000000, 0.0119495400000000, 0.0000000000000000 ] - [ 0.0369975300000000, 0.0118718300000000, 0.0009872400000000 ] - [ 0.0002179600000000, -0.0000109800000000, 0.0000000000000000 ] - [ 0.0000204300000000, 0.0000055000000000, 0.0000129000000000 ] - [ -0.0000709100000000, -0.0000076400000000, 0.0000000000000000 ] - [ 0.0000204300000000, 0.0000055000000000, -0.0000129000000000 ] - [ -0.0048794400000000, 0.0112770300000000, 0.0000000000000000 ] - [ -0.0000960400000000, -0.0003450400000000, 0.0000277300000000 ] - [ 0.0000407900000000, -0.0000243900000000, 0.0000000000000000 ] - [ -0.0000960400000000, -0.0003450400000000, -0.0000277300000000 ] - [ 0.0412460300000000, -0.0446482800000000, -0.0000021600000000 ] - [ 0.0413529200000000, -0.0454604200000000, 0.0001109500000000 ] - [ 0.0413529200000000, -0.0454604200000000, -0.0001109500000000 ] - [ 0.0412460300000000, -0.0446482800000000, 0.0000021600000000 ] - [ -0.0417505100000000, 0.0447890100000000, 0.0007192500000000 ] - [ -0.0414584000000000, 0.0454143100000000, 0.0003249900000000 ] - [ -0.0414584000000000, 0.0454143100000000, -0.0003249900000000 ] - [ -0.0417505100000000, 0.0447890100000000, -0.0007192500000000 ] - [ 0.0408605400000000, 0.0445981500000000, -0.0002219900000000 ] - [ 0.0412414600000000, 0.0453170500000000, 0.0000168600000000 ] - [ 0.0412414600000000, 0.0453170500000000, -0.0000168600000000 ] - [ 0.0408605400000000, 0.0445981500000000, 0.0002219900000000 ] - [ -0.0448174000000000, -0.0071410500000000, -0.0296642300000000 ] - [ -0.0415717200000000, -0.0444573000000000, 0.0002500300000000 ] - [ -0.0415717200000000, -0.0444573000000000, -0.0002500300000000 ] - [ -0.0448174000000000, -0.0071410500000000, 0.0296642300000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0160094700000000, 0.0290745200000000, -0.0000112600000000 ] - [ 0.0160036400000000, 0.0289662400000000, -0.0001038500000000 ] - [ 0.0160036400000000, 0.0289662400000000, 0.0001038500000000 ] - [ 0.0160094700000000, 0.0290745200000000, 0.0000112600000000 ] - [ -0.0159903800000000, -0.0290823400000000, -0.0000624800000000 ] - [ -0.0161667800000000, -0.0289963300000000, 0.0000236700000000 ] - [ -0.0161667800000000, -0.0289963300000000, -0.0000236700000000 ] - [ -0.0159903800000000, -0.0290823400000000, 0.0000624800000000 ] - [ 0.0158005600000000, -0.0292491800000000, -0.0000394200000000 ] - [ 0.0160730000000000, -0.0291243600000000, 0.0000225200000000 ] - [ 0.0160730000000000, -0.0291243600000000, -0.0000225200000000 ] - [ 0.0158005600000000, -0.0292491800000000, 0.0000394200000000 ] - [ -0.0186896800000000, 0.0282276700000000, 0.0007395000000000 ] - [ -0.0159970000000000, 0.0289562400000000, -0.0001055400000000 ] - [ -0.0159970000000000, 0.0289562400000000, 0.0001055400000000 ] - [ -0.0186896800000000, 0.0282276700000000, -0.0007395000000000 ] - [ -0.0167027400000000, 0.0040690300000000, -0.0011136100000000 ] - [ -0.0167411500000000, 0.0048861200000000, 0.0000292500000000 ] - [ -0.0167411500000000, 0.0048861200000000, -0.0000292500000000 ] - [ -0.0167027400000000, 0.0040690300000000, 0.0011136100000000 ] - [ 0.0167312400000000, -0.0049338300000000, -0.0000210600000000 ] - [ 0.0167579700000000, -0.0048771600000000, 0.0000287000000000 ] - [ 0.0167579700000000, -0.0048771600000000, -0.0000287000000000 ] - [ 0.0167312400000000, -0.0049338300000000, 0.0000210600000000 ] - [ -0.0169001200000000, -0.0050213900000000, 0.0000896400000000 ] - [ -0.0168597400000000, -0.0048447900000000, 0.0000590000000000 ] - [ -0.0168597400000000, -0.0048447900000000, -0.0000590000000000 ] - [ -0.0169001200000000, -0.0050213900000000, -0.0000896400000000 ] - [ 0.0168366900000000, 0.0035355700000000, -0.0007102900000000 ] - [ 0.0168464100000000, 0.0051183400000000, -0.0000829500000000 ] - [ 0.0168464100000000, 0.0051183400000000, 0.0000829500000000 ] - [ 0.0168366900000000, 0.0035355700000000, 0.0007102900000000 ] - [ 0.0031381000000000, -0.0045002600000000, 0.0000000000000000 ] - [ 0.0029388100000000, -0.0044492500000000, 0.0000754000000000 ] - [ 0.0030244200000000, -0.0044690200000000, 0.0000000000000000 ] - [ 0.0029388100000000, -0.0044492500000000, -0.0000754000000000 ] - [ -0.0036737900000000, 0.0040080700000000, 0.0000000000000000 ] - [ -0.0033190300000000, 0.0042116000000000, 0.0000675900000000 ] - [ -0.0030788100000000, 0.0044022300000000, 0.0000000000000000 ] - [ -0.0033190300000000, 0.0042116000000000, -0.0000675900000000 ] - [ -0.0200591500000000, 0.1091650800000000, 0.0000000000000000 ] - [ -0.0039237300000000, 0.0070775400000000, -0.0010041100000000 ] - [ -0.0042681400000000, 0.0052845300000000, 0.0000000000000000 ] - [ -0.0039237300000000, 0.0070775400000000, 0.0010041100000000 ] - [ 0.0028880500000000, -0.0030857600000000, 0.0000000000000000 ] - [ 0.0039847200000000, -0.0049048700000000, 0.0000084300000000 ] - [ 0.0039136900000000, -0.0049817400000000, 0.0000000000000000 ] - [ 0.0039847200000000, -0.0049048700000000, -0.0000084300000000 ] - [ -0.0042388300000000, -0.0057023100000000, 0.0000000000000000 ] - [ -0.0041525100000000, -0.0052433100000000, 0.0001153000000000 ] - [ -0.0039612300000000, -0.0049681600000000, 0.0000000000000000 ] - [ -0.0041525100000000, -0.0052433100000000, -0.0001153000000000 ] - [ 0.0041511300000000, 0.0054879300000000, 0.0000000000000000 ] - [ 0.0040171200000000, 0.0050708800000000, -0.0000106400000000 ] - [ 0.0039922400000000, 0.0050409200000000, 0.0000000000000000 ] - [ 0.0040171200000000, 0.0050708800000000, 0.0000106400000000 ] - [ 0.0077602700000000, -0.0143119000000000, 0.0000000000000000 ] - [ -0.0010998600000000, -0.0045118200000000, 0.0012335700000000 ] - [ -0.0030842900000000, -0.0046471500000000, 0.0000000000000000 ] - [ -0.0010998600000000, -0.0045118200000000, -0.0012335700000000 ] - [ 0.0003274100000000, 0.0045426200000000, 0.0000000000000000 ] - [ 0.0030818300000000, 0.0045945800000000, -0.0000484000000000 ] - [ 0.0030275800000000, 0.0044213300000000, 0.0000000000000000 ] - [ 0.0030818300000000, 0.0045945800000000, 0.0000484000000000 ] - [ -0.0365503200000000, 0.0119779200000000, 0.0000000000000000 ] - [ -0.0368121600000000, 0.0117695200000000, -0.0000095900000000 ] - [ -0.0367039300000000, 0.0119256500000000, 0.0000000000000000 ] - [ -0.0368121600000000, 0.0117695200000000, 0.0000095900000000 ] - [ 0.0363157300000000, -0.0113338600000000, 0.0000000000000000 ] - [ 0.0368143400000000, -0.0119740600000000, 0.0000747100000000 ] - [ 0.0368223000000000, -0.0119669100000000, 0.0000000000000000 ] - [ 0.0368143400000000, -0.0119740600000000, -0.0000747100000000 ] - [ -0.0369689400000000, -0.0119974500000000, 0.0000000000000000 ] - [ -0.0367120200000000, -0.0119269600000000, -0.0000315200000000 ] - [ -0.0367673400000000, -0.0119902300000000, 0.0000000000000000 ] - [ -0.0367120200000000, -0.0119269600000000, 0.0000315200000000 ] - [ 0.0360252800000000, 0.0079704300000000, 0.0000000000000000 ] - [ 0.0364420400000000, 0.0120654500000000, 0.0010023700000000 ] - [ 0.0367012200000000, 0.0119867500000000, 0.0000000000000000 ] - [ 0.0364420400000000, 0.0120654500000000, -0.0010023700000000 ] - [ -0.0002197500000000, 0.0000169900000000, 0.0000000000000000 ] - [ -0.0000206500000000, -0.0000045400000000, -0.0000153800000000 ] - [ 0.0000739000000000, 0.0000067700000000, 0.0000000000000000 ] - [ -0.0000206500000000, -0.0000045400000000, 0.0000153800000000 ] - [ 0.0046856500000000, -0.0111993700000000, 0.0000000000000000 ] - [ 0.0000924400000000, 0.0003426200000000, -0.0000347800000000 ] - [ -0.0000427100000000, 0.0000222200000000, 0.0000000000000000 ] - [ 0.0000924400000000, 0.0003426200000000, 0.0000347800000000 ] - [ 0.0413261000000000, -0.0460643200000000, 0.0000044800000000 ] - [ 0.0412240200000000, -0.0452712900000000, -0.0001073000000000 ] - [ 0.0412240200000000, -0.0452712900000000, 0.0001073000000000 ] - [ 0.0413261000000000, -0.0460643200000000, -0.0000044800000000 ] - [ -0.0408123500000000, 0.0459505400000000, -0.0007315700000000 ] - [ -0.0411155000000000, 0.0453152600000000, -0.0003279800000000 ] - [ -0.0411155000000000, 0.0453152600000000, 0.0003279800000000 ] - [ -0.0408123500000000, 0.0459505400000000, 0.0007315700000000 ] - [ 0.0417138800000000, 0.0461354700000000, 0.0002222700000000 ] - [ 0.0413359500000000, 0.0454109000000000, -0.0000152700000000 ] - [ 0.0413359500000000, 0.0454109000000000, 0.0000152700000000 ] - [ 0.0417138800000000, 0.0461354700000000, -0.0002222700000000 ] - [ -0.0376201700000000, -0.0845749900000000, 0.0307870400000000 ] - [ -0.0410095400000000, -0.0462759700000000, -0.0002358600000000 ] - [ -0.0410095400000000, -0.0462759700000000, 0.0002358600000000 ] - [ -0.0376201700000000, -0.0845749900000000, -0.0307870400000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0160891700000000, 0.0290165400000000, 0.0001110300000000 ] - [ 0.0160707600000000, 0.0290550400000000, 0.0000677500000000 ] - [ 0.0159502800000000, 0.0290560300000000, 0.0000705000000000 ] - [ 0.0159349800000000, 0.0290953600000000, 0.0001114300000000 ] - [ -0.0159745800000000, -0.0290651500000000, 0.0000448700000000 ] - [ -0.0159797300000000, -0.0290006000000000, 0.0000483500000000 ] - [ -0.0160422000000000, -0.0291117700000000, 0.0000491600000000 ] - [ -0.0160488300000000, -0.0290478800000000, 0.0000458500000000 ] - [ 0.0161757900000000, -0.0293689200000000, -0.0003185700000000 ] - [ 0.0159907600000000, -0.0290674200000000, -0.0000137000000000 ] - [ 0.0160330000000000, -0.0290446400000000, -0.0000137700000000 ] - [ 0.0158490000000000, -0.0287449900000000, -0.0003171500000000 ] - [ -0.0188398600000000, 0.0264027200000000, 0.0014448100000000 ] - [ -0.0160572700000000, 0.0290787300000000, 0.0001875800000000 ] - [ -0.0159654700000000, 0.0290349900000000, 0.0001849800000000 ] - [ -0.0132166700000000, 0.0316856400000000, 0.0014396800000000 ] - [ -0.0166007600000000, 0.0047724500000000, 0.0006574900000000 ] - [ -0.0168440200000000, 0.0048971400000000, 0.0000129600000000 ] - [ -0.0168006400000000, 0.0048695800000000, 0.0000126500000000 ] - [ -0.0170493600000000, 0.0050063600000000, 0.0006480600000000 ] - [ 0.0170122100000000, -0.0050074000000000, 0.0000711400000000 ] - [ 0.0168110100000000, -0.0049338200000000, 0.0000491400000000 ] - [ 0.0168361500000000, -0.0048314600000000, 0.0000500500000000 ] - [ 0.0166366000000000, -0.0047591600000000, 0.0000711200000000 ] - [ -0.0168360600000000, -0.0049366200000000, 0.0001064800000000 ] - [ -0.0167754800000000, -0.0048974700000000, -0.0001104000000000 ] - [ -0.0168701900000000, -0.0048693800000000, -0.0001109200000000 ] - [ -0.0168082300000000, -0.0048288400000000, 0.0001086300000000 ] - [ 0.0153129300000000, -0.0000578100000000, -0.0008467400000000 ] - [ 0.0163555700000000, 0.0046604000000000, -0.0001144000000000 ] - [ 0.0172879600000000, 0.0050998600000000, -0.0001202000000000 ] - [ 0.0183143100000000, 0.0097512900000000, -0.0008301400000000 ] - [ 0.0030738300000000, -0.0044716100000000, 0.0002353300000000 ] - [ 0.0032156500000000, -0.0045695500000000, -0.0001867100000000 ] - [ 0.0030745500000000, -0.0044712500000000, 0.0000353500000000 ] - [ 0.0029342200000000, -0.0043749600000000, -0.0001853300000000 ] - [ -0.0030797800000000, 0.0044684700000000, -0.0001695200000000 ] - [ -0.0032428500000000, 0.0041613800000000, 0.0000935200000000 ] - [ -0.0030740300000000, 0.0044713200000000, 0.0000610300000000 ] - [ -0.0029069300000000, 0.0047784500000000, 0.0000930800000000 ] - [ -0.0039982300000000, 0.0059532400000000, -0.0769919800000000 ] - [ -0.0040577900000000, 0.0039507900000000, 0.0073312800000000 ] - [ -0.0040027800000000, 0.0049521400000000, -0.0003327500000000 ] - [ -0.0039572700000000, 0.0059425500000000, 0.0071562600000000 ] - [ 0.0039978400000000, -0.0049548000000000, -0.0027152600000000 ] - [ 0.0039195100000000, -0.0049664900000000, -0.0002268100000000 ] - [ 0.0040062900000000, -0.0049548700000000, -0.0001668800000000 ] - [ 0.0040895800000000, -0.0049461200000000, -0.0002228700000000 ] - [ -0.0040048200000000, -0.0049548400000000, -0.0002392500000000 ] - [ -0.0040019800000000, -0.0050718400000000, 0.0000727200000000 ] - [ -0.0040041900000000, -0.0049539600000000, 0.0000379500000000 ] - [ -0.0040065300000000, -0.0048355600000000, 0.0000736200000000 ] - [ 0.0040075800000000, 0.0049525200000000, 0.0000078900000000 ] - [ 0.0041578600000000, 0.0049440800000000, 0.0000376600000000 ] - [ 0.0040046900000000, 0.0049540600000000, -0.0000400300000000 ] - [ 0.0038531800000000, 0.0049621600000000, 0.0000401500000000 ] - [ -0.0030820600000000, -0.0044634200000000, -0.0035570800000000 ] - [ -0.0017436700000000, -0.0045337100000000, 0.0015636100000000 ] - [ -0.0030763600000000, -0.0044715900000000, 0.0002428100000000 ] - [ -0.0044091100000000, -0.0044076700000000, 0.0015504300000000 ] - [ 0.0030756000000000, 0.0044652600000000, -0.0007862900000000 ] - [ 0.0031179500000000, 0.0045072300000000, -0.0001700600000000 ] - [ 0.0030749600000000, 0.0044721600000000, -0.0000472700000000 ] - [ 0.0030334000000000, 0.0044362600000000, -0.0001696900000000 ] - [ -0.0367272600000000, 0.0119659800000000, 0.0002715800000000 ] - [ -0.0366931600000000, 0.0120142500000000, -0.0000497200000000 ] - [ -0.0367265200000000, 0.0119684100000000, -0.0000213100000000 ] - [ -0.0367586700000000, 0.0119230100000000, -0.0000498300000000 ] - [ 0.0367284600000000, -0.0119703900000000, -0.0003520500000000 ] - [ 0.0368577100000000, -0.0119575300000000, 0.0000248000000000 ] - [ 0.0367261400000000, -0.0119692300000000, -0.0000477800000000 ] - [ 0.0365941600000000, -0.0119812000000000, 0.0000241400000000 ] - [ -0.0367260400000000, -0.0119671400000000, -0.0000394800000000 ] - [ -0.0367071200000000, -0.0120009800000000, 0.0000074600000000 ] - [ -0.0367266900000000, -0.0119678700000000, 0.0000424100000000 ] - [ -0.0367468500000000, -0.0119355000000000, 0.0000073600000000 ] - [ 0.0367370700000000, 0.0119818800000000, -0.0020382800000000 ] - [ 0.0369644500000000, 0.0120154900000000, 0.0004013000000000 ] - [ 0.0367277700000000, 0.0119679000000000, 0.0001581800000000 ] - [ 0.0364876200000000, 0.0119243100000000, 0.0004000300000000 ] - [ -0.0000007200000000, -0.0000007100000000, 0.0000230300000000 ] - [ -0.0003301700000000, 0.0000184000000000, -0.0000277000000000 ] - [ -0.0000005400000000, -0.0000000800000000, 0.0000510200000000 ] - [ 0.0003291400000000, -0.0000186200000000, -0.0000273900000000 ] - [ -0.0001011500000000, 0.0000027800000000, 0.0045500000000000 ] - [ 0.0006610100000000, 0.0003863100000000, 0.0008596700000000 ] - [ -0.0000006400000000, 0.0000008800000000, 0.0002822100000000 ] - [ -0.0006549700000000, -0.0003853300000000, 0.0008580600000000 ] - [ 0.0409275600000000, -0.0446889200000000, -0.0001818400000000 ] - [ 0.0412673300000000, -0.0452542900000000, -0.0000892400000000 ] - [ 0.0413104800000000, -0.0454719600000000, -0.0000901300000000 ] - [ 0.0416452500000000, -0.0460253600000000, -0.0001828800000000 ] - [ -0.0413850200000000, 0.0456933800000000, 0.0003865900000000 ] - [ -0.0412384200000000, 0.0454606000000000, -0.0003665300000000 ] - [ -0.0413409500000000, 0.0452691900000000, -0.0003661800000000 ] - [ -0.0411923800000000, 0.0450361000000000, 0.0003891000000000 ] - [ 0.0409232600000000, 0.0462108500000000, 0.0010551300000000 ] - [ 0.0412989800000000, 0.0452185100000000, 0.0000692000000000 ] - [ 0.0412811800000000, 0.0455154900000000, 0.0000656900000000 ] - [ 0.0416436000000000, 0.0445228600000000, 0.0010536300000000 ] - [ -0.0372932400000000, -0.0657888800000000, 0.0294154200000000 ] - [ -0.0412316100000000, -0.0447110300000000, -0.0002132100000000 ] - [ -0.0413533100000000, -0.0460140800000000, -0.0002272700000000 ] - [ -0.0451151800000000, -0.0258661200000000, 0.0287521700000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0279912400000000, 0.0413093100000000, 0.0144972700000000 ] - [ 0.0160286700000000, 0.0296095400000000, -0.0015350000000000 ] - [ 0.0160286700000000, 0.0296095400000000, 0.0015350000000000 ] - [ 0.0279912400000000, 0.0413093100000000, -0.0144972700000000 ] - [ -0.0159026500000000, -0.0292201000000000, -0.0000172800000000 ] - [ -0.0160064100000000, -0.0291328000000000, 0.0000466700000000 ] - [ -0.0160064100000000, -0.0291328000000000, -0.0000466700000000 ] - [ -0.0159026500000000, -0.0292201000000000, 0.0000172800000000 ] - [ 0.0167658800000000, -0.0287356500000000, 0.0001250700000000 ] - [ 0.0158517700000000, -0.0290784200000000, 0.0000007200000000 ] - [ 0.0158517700000000, -0.0290784200000000, -0.0000007200000000 ] - [ 0.0167658800000000, -0.0287356500000000, -0.0001250700000000 ] - [ -0.0160098700000000, 0.0290583900000000, -0.0000372400000000 ] - [ -0.0160001700000000, 0.0290969800000000, 0.0000303600000000 ] - [ -0.0160001700000000, 0.0290969800000000, -0.0000303600000000 ] - [ -0.0160098700000000, 0.0290583900000000, 0.0000372400000000 ] - [ 0.0071533600000000, 0.0202055100000000, -0.0218639500000000 ] - [ -0.0163307600000000, 0.0046100600000000, 0.0010523300000000 ] - [ -0.0163307600000000, 0.0046100600000000, -0.0010523300000000 ] - [ 0.0071533600000000, 0.0202055100000000, 0.0218639500000000 ] - [ 0.0168618800000000, -0.0049207300000000, 0.0000478200000000 ] - [ 0.0168504700000000, -0.0048546600000000, 0.0000435300000000 ] - [ 0.0168504700000000, -0.0048546600000000, -0.0000435300000000 ] - [ 0.0168618800000000, -0.0049207300000000, -0.0000478200000000 ] - [ -0.0169364900000000, -0.0049227500000000, 0.0000763700000000 ] - [ -0.0167963200000000, -0.0048821800000000, -0.0000331300000000 ] - [ -0.0167963200000000, -0.0048821800000000, 0.0000331300000000 ] - [ -0.0169364900000000, -0.0049227500000000, -0.0000763700000000 ] - [ 0.0167911400000000, 0.0049000600000000, -0.0000540400000000 ] - [ 0.0168301800000000, 0.0048490600000000, 0.0000314200000000 ] - [ 0.0168301800000000, 0.0048490600000000, -0.0000314200000000 ] - [ 0.0167911400000000, 0.0049000600000000, 0.0000540400000000 ] - [ 0.0085228500000000, -0.0062812400000000, 0.0000000000000000 ] - [ 0.0030189900000000, -0.0042891100000000, 0.0003004700000000 ] - [ 0.0030148400000000, -0.0044114500000000, 0.0000000000000000 ] - [ 0.0030189900000000, -0.0042891100000000, -0.0003004700000000 ] - [ -0.0029649400000000, 0.0045560900000000, 0.0000000000000000 ] - [ -0.0031732800000000, 0.0043704300000000, 0.0000273200000000 ] - [ -0.0030639800000000, 0.0044535900000000, 0.0000000000000000 ] - [ -0.0031732800000000, 0.0043704300000000, -0.0000273200000000 ] - [ -0.0036243800000000, 0.0047769300000000, 0.0000000000000000 ] - [ -0.0039481200000000, 0.0050435800000000, -0.0000332600000000 ] - [ -0.0039966600000000, 0.0049319500000000, 0.0000000000000000 ] - [ -0.0039481200000000, 0.0050435800000000, 0.0000332600000000 ] - [ 0.0037131300000000, -0.0045452800000000, 0.0000000000000000 ] - [ 0.0039869000000000, -0.0050439600000000, 0.0001331800000000 ] - [ 0.0039794400000000, -0.0050483800000000, 0.0000000000000000 ] - [ 0.0039869000000000, -0.0050439600000000, -0.0001331800000000 ] - [ -0.0042303100000000, -0.0051940200000000, 0.0000000000000000 ] - [ -0.0038364800000000, -0.0049367300000000, -0.0000189300000000 ] - [ -0.0039285800000000, -0.0049931400000000, 0.0000000000000000 ] - [ -0.0038364800000000, -0.0049367300000000, 0.0000189300000000 ] - [ 0.0060641700000000, 0.0042410700000000, 0.0000000000000000 ] - [ 0.0042030900000000, 0.0046791600000000, 0.0002390500000000 ] - [ 0.0041248200000000, 0.0049254900000000, 0.0000000000000000 ] - [ 0.0042030900000000, 0.0046791600000000, -0.0002390500000000 ] - [ -0.0030986200000000, -0.0044383800000000, 0.0000000000000000 ] - [ -0.0030713700000000, -0.0044451900000000, 0.0000168200000000 ] - [ -0.0030656600000000, -0.0044468700000000, 0.0000000000000000 ] - [ -0.0030713700000000, -0.0044451900000000, -0.0000168200000000 ] - [ 0.0206784700000000, -0.0065013800000000, 0.0000000000000000 ] - [ 0.0030949300000000, 0.0045671200000000, -0.0002353300000000 ] - [ 0.0028930300000000, 0.0045682300000000, 0.0000000000000000 ] - [ 0.0030949300000000, 0.0045671200000000, 0.0002353300000000 ] - [ -0.1502118100000000, -0.0158938800000000, 0.0000000000000000 ] - [ -0.0372037300000000, 0.0137894300000000, 0.0014819100000000 ] - [ -0.0374349300000000, 0.0110738800000000, 0.0000000000000000 ] - [ -0.0372037300000000, 0.0137894300000000, -0.0014819100000000 ] - [ 0.0369546100000000, -0.0120212300000000, 0.0000000000000000 ] - [ 0.0367570000000000, -0.0119220200000000, -0.0000795400000000 ] - [ 0.0368474700000000, -0.0120440100000000, 0.0000000000000000 ] - [ 0.0367570000000000, -0.0119220200000000, 0.0000795400000000 ] - [ -0.0368893400000000, -0.0124258700000000, 0.0000000000000000 ] - [ -0.0366378300000000, -0.0120208800000000, 0.0000250600000000 ] - [ -0.0367646000000000, -0.0119305700000000, 0.0000000000000000 ] - [ -0.0366378300000000, -0.0120208800000000, -0.0000250600000000 ] - [ 0.0367020900000000, 0.0118789200000000, 0.0000000000000000 ] - [ 0.0367143100000000, 0.0119382900000000, -0.0000050800000000 ] - [ 0.0367583800000000, 0.0119711600000000, 0.0000000000000000 ] - [ 0.0367143100000000, 0.0119382900000000, 0.0000050800000000 ] - [ 0.0007585300000000, -0.0000525200000000, 0.0000000000000000 ] - [ -0.0001960000000000, 0.0000107500000000, -0.0005248900000000 ] - [ -0.0001983500000000, -0.0000760700000000, 0.0000000000000000 ] - [ -0.0001960000000000, 0.0000107500000000, 0.0005248900000000 ] - [ -0.0017610100000000, -0.0003123900000000, 0.0000000000000000 ] - [ -0.0000636300000000, 0.0000057100000000, -0.0000664300000000 ] - [ -0.0000480600000000, -0.0000069800000000, 0.0000000000000000 ] - [ -0.0000636300000000, 0.0000057100000000, 0.0000664300000000 ] - [ 0.0489645000000000, -0.0537428100000000, -0.0101894800000000 ] - [ 0.0419060800000000, -0.0453879400000000, 0.0001731400000000 ] - [ 0.0419060800000000, -0.0453879400000000, -0.0001731400000000 ] - [ 0.0489645000000000, -0.0537428100000000, 0.0101894800000000 ] - [ -0.0415366400000000, 0.0456459200000000, 0.0001666000000000 ] - [ -0.0414100300000000, 0.0454993500000000, 0.0000294300000000 ] - [ -0.0414100300000000, 0.0454993500000000, -0.0000294300000000 ] - [ -0.0415366400000000, 0.0456459200000000, -0.0001666000000000 ] - [ 0.0416043800000000, 0.0452878700000000, 0.0000953500000000 ] - [ 0.0414071100000000, 0.0453091700000000, -0.0001214200000000 ] - [ 0.0414071100000000, 0.0453091700000000, 0.0001214200000000 ] - [ 0.0416043800000000, 0.0452878700000000, -0.0000953500000000 ] - [ -0.0412118400000000, -0.0452657100000000, -0.0000318300000000 ] - [ -0.0413755600000000, -0.0453609100000000, 0.0000645200000000 ] - [ -0.0413755600000000, -0.0453609100000000, -0.0000645200000000 ] - [ -0.0412118400000000, -0.0452657100000000, 0.0000318300000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0039318900000000, 0.0169212800000000, -0.0144227300000000 ] - [ 0.0160036600000000, 0.0285059700000000, 0.0015635300000000 ] - [ 0.0160036600000000, 0.0285059700000000, -0.0015635300000000 ] - [ 0.0039318900000000, 0.0169212800000000, 0.0144227300000000 ] - [ -0.0161239700000000, -0.0288990200000000, 0.0000149200000000 ] - [ -0.0160152400000000, -0.0289782000000000, -0.0000481600000000 ] - [ -0.0160152400000000, -0.0289782000000000, 0.0000481600000000 ] - [ -0.0161239700000000, -0.0288990200000000, -0.0000149200000000 ] - [ 0.0152857200000000, -0.0293680000000000, -0.0001265400000000 ] - [ 0.0161655300000000, -0.0290323400000000, -0.0000011900000000 ] - [ 0.0161655300000000, -0.0290323400000000, 0.0000011900000000 ] - [ 0.0152857200000000, -0.0293680000000000, 0.0001265400000000 ] - [ -0.0160147800000000, 0.0290521000000000, 0.0000375300000000 ] - [ -0.0160223000000000, 0.0290145100000000, -0.0000303200000000 ] - [ -0.0160223000000000, 0.0290145100000000, 0.0000303200000000 ] - [ -0.0160147800000000, 0.0290521000000000, -0.0000375300000000 ] - [ -0.0413881300000000, -0.0109319300000000, 0.0226106000000000 ] - [ -0.0173356900000000, 0.0051444900000000, -0.0010330800000000 ] - [ -0.0173356900000000, 0.0051444900000000, 0.0010330800000000 ] - [ -0.0413881300000000, -0.0109319300000000, -0.0226106000000000 ] - [ 0.0167840400000000, -0.0048461700000000, -0.0000502000000000 ] - [ 0.0167954100000000, -0.0049137300000000, -0.0000472200000000 ] - [ 0.0167954100000000, -0.0049137300000000, 0.0000472200000000 ] - [ 0.0167840400000000, -0.0048461700000000, 0.0000502000000000 ] - [ -0.0166989200000000, -0.0048539700000000, -0.0000663900000000 ] - [ -0.0168510900000000, -0.0048829800000000, 0.0000349800000000 ] - [ -0.0168510900000000, -0.0048829800000000, -0.0000349800000000 ] - [ -0.0166989200000000, -0.0048539700000000, 0.0000663900000000 ] - [ 0.0168539800000000, 0.0048647800000000, 0.0000531200000000 ] - [ 0.0168144000000000, 0.0049169300000000, -0.0000300400000000 ] - [ 0.0168144000000000, 0.0049169300000000, 0.0000300400000000 ] - [ 0.0168539800000000, 0.0048647800000000, -0.0000531200000000 ] - [ -0.0024643600000000, -0.0025977400000000, 0.0000000000000000 ] - [ 0.0031388700000000, -0.0046534300000000, -0.0002962600000000 ] - [ 0.0031332100000000, -0.0045234600000000, 0.0000000000000000 ] - [ 0.0031388700000000, -0.0046534300000000, 0.0002962600000000 ] - [ -0.0031815600000000, 0.0043894300000000, 0.0000000000000000 ] - [ -0.0029770900000000, 0.0045752800000000, -0.0000289500000000 ] - [ -0.0030841200000000, 0.0044949800000000, 0.0000000000000000 ] - [ -0.0029770900000000, 0.0045752800000000, 0.0000289500000000 ] - [ -0.0043920100000000, 0.0051335800000000, 0.0000000000000000 ] - [ -0.0040642000000000, 0.0048663800000000, 0.0000318000000000 ] - [ -0.0040144600000000, 0.0049736400000000, 0.0000000000000000 ] - [ -0.0040642000000000, 0.0048663800000000, -0.0000318000000000 ] - [ 0.0042993600000000, -0.0053704300000000, 0.0000000000000000 ] - [ 0.0040203100000000, -0.0048649100000000, -0.0001294800000000 ] - [ 0.0040287800000000, -0.0048604800000000, 0.0000000000000000 ] - [ 0.0040203100000000, -0.0048649100000000, 0.0001294800000000 ] - [ -0.0037700800000000, -0.0047160400000000, 0.0000000000000000 ] - [ -0.0041771600000000, -0.0049731300000000, 0.0000213500000000 ] - [ -0.0040873400000000, -0.0049169700000000, 0.0000000000000000 ] - [ -0.0041771600000000, -0.0049731300000000, -0.0000213500000000 ] - [ 0.0019754000000000, 0.0056816800000000, 0.0000000000000000 ] - [ 0.0038305400000000, 0.0052390000000000, -0.0002378000000000 ] - [ 0.0038740000000000, 0.0049854100000000, 0.0000000000000000 ] - [ 0.0038305400000000, 0.0052390000000000, 0.0002378000000000 ] - [ -0.0030531100000000, -0.0045161100000000, 0.0000000000000000 ] - [ -0.0030784400000000, -0.0044965700000000, -0.0000167200000000 ] - [ -0.0030856900000000, -0.0044970300000000, 0.0000000000000000 ] - [ -0.0030784400000000, -0.0044965700000000, 0.0000167200000000 ] - [ -0.0139168000000000, 0.0148806800000000, 0.0000000000000000 ] - [ 0.0030585200000000, 0.0043707600000000, 0.0002391500000000 ] - [ 0.0032521800000000, 0.0043787700000000, 0.0000000000000000 ] - [ 0.0030585200000000, 0.0043707600000000, -0.0002391500000000 ] - [ 0.0780912500000000, 0.0407889200000000, 0.0000000000000000 ] - [ -0.0361892000000000, 0.0101759100000000, -0.0015898500000000 ] - [ -0.0360144100000000, 0.0128634200000000, 0.0000000000000000 ] - [ -0.0361892000000000, 0.0101759100000000, 0.0015898500000000 ] - [ 0.0364983200000000, -0.0119173300000000, 0.0000000000000000 ] - [ 0.0366965000000000, -0.0120191900000000, 0.0000820200000000 ] - [ 0.0366064700000000, -0.0118938200000000, 0.0000000000000000 ] - [ 0.0366965000000000, -0.0120191900000000, -0.0000820200000000 ] - [ -0.0365661100000000, -0.0115072900000000, 0.0000000000000000 ] - [ -0.0368142700000000, -0.0119194400000000, -0.0000321000000000 ] - [ -0.0366874600000000, -0.0120073300000000, 0.0000000000000000 ] - [ -0.0368142700000000, -0.0119194400000000, 0.0000321000000000 ] - [ 0.0367479800000000, 0.0120574000000000, 0.0000000000000000 ] - [ 0.0367372000000000, 0.0119981400000000, 0.0000051800000000 ] - [ 0.0366947400000000, 0.0119631500000000, 0.0000000000000000 ] - [ 0.0367372000000000, 0.0119981400000000, -0.0000051800000000 ] - [ -0.0007749500000000, 0.0000261000000000, 0.0000000000000000 ] - [ 0.0001974600000000, -0.0000133700000000, 0.0005243700000000 ] - [ 0.0001969700000000, 0.0000763500000000, 0.0000000000000000 ] - [ 0.0001974600000000, -0.0000133700000000, -0.0005243700000000 ] - [ 0.0017757400000000, 0.0003087700000000, 0.0000000000000000 ] - [ 0.0000621800000000, -0.0000080200000000, 0.0000666900000000 ] - [ 0.0000482700000000, 0.0000038800000000, 0.0000000000000000 ] - [ 0.0000621800000000, -0.0000080200000000, -0.0000666900000000 ] - [ 0.0332709500000000, -0.0367832000000000, 0.0105266100000000 ] - [ 0.0406701200000000, -0.0453541100000000, -0.0001683700000000 ] - [ 0.0406701200000000, -0.0453541100000000, 0.0001683700000000 ] - [ 0.0332709500000000, -0.0367832000000000, -0.0105266100000000 ] - [ -0.0410447400000000, 0.0450938100000000, -0.0001632800000000 ] - [ -0.0411720200000000, 0.0452282500000000, -0.0000239200000000 ] - [ -0.0411720200000000, 0.0452282500000000, 0.0000239200000000 ] - [ -0.0410447400000000, 0.0450938100000000, 0.0001632800000000 ] - [ 0.0409809000000000, 0.0454020900000000, -0.0001147700000000 ] - [ 0.0411725500000000, 0.0454148400000000, 0.0001235300000000 ] - [ 0.0411725500000000, 0.0454148400000000, -0.0001235300000000 ] - [ 0.0409809000000000, 0.0454020900000000, 0.0001147700000000 ] - [ -0.0413650700000000, -0.0454644500000000, 0.0000304900000000 ] - [ -0.0412035400000000, -0.0453694400000000, -0.0000630000000000 ] - [ -0.0412035400000000, -0.0453694400000000, 0.0000630000000000 ] - [ -0.0413650700000000, -0.0454644500000000, -0.0000304900000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0301593600000000, 0.0577100000000000, 0.0257738200000000 ] - [ 0.0157238400000000, 0.0295752200000000, -0.0014078400000000 ] - [ 0.0157238400000000, 0.0295752200000000, 0.0014078400000000 ] - [ 0.0301593600000000, 0.0577100000000000, -0.0257738200000000 ] - [ -0.0160923500000000, -0.0288677400000000, -0.0000618900000000 ] - [ -0.0160626300000000, -0.0290876700000000, 0.0000690500000000 ] - [ -0.0160626300000000, -0.0290876700000000, -0.0000690500000000 ] - [ -0.0160923500000000, -0.0288677400000000, 0.0000618900000000 ] - [ 0.0163268000000000, -0.0287926000000000, 0.0001780400000000 ] - [ 0.0158606400000000, -0.0291439800000000, -0.0000560800000000 ] - [ 0.0158606400000000, -0.0291439800000000, 0.0000560800000000 ] - [ 0.0163268000000000, -0.0287926000000000, -0.0001780400000000 ] - [ -0.0159604800000000, 0.0290957500000000, -0.0000210000000000 ] - [ -0.0160262800000000, 0.0290808100000000, 0.0000262300000000 ] - [ -0.0160262800000000, 0.0290808100000000, -0.0000262300000000 ] - [ -0.0159604800000000, 0.0290957500000000, 0.0000210000000000 ] - [ -0.0024960400000000, 0.0193493100000000, -0.0170753600000000 ] - [ -0.0160313600000000, 0.0049225300000000, 0.0015694000000000 ] - [ -0.0160313600000000, 0.0049225300000000, -0.0015694000000000 ] - [ -0.0024960400000000, 0.0193493100000000, 0.0170753600000000 ] - [ 0.0167251500000000, -0.0050126600000000, 0.0000254400000000 ] - [ 0.0168138300000000, -0.0048711300000000, -0.0000000800000000 ] - [ 0.0168138300000000, -0.0048711300000000, 0.0000000800000000 ] - [ 0.0167251500000000, -0.0050126600000000, -0.0000254400000000 ] - [ -0.0167694100000000, -0.0046908200000000, -0.0000042300000000 ] - [ -0.0167058500000000, -0.0049296200000000, -0.0000232600000000 ] - [ -0.0167058500000000, -0.0049296200000000, 0.0000232600000000 ] - [ -0.0167694100000000, -0.0046908200000000, 0.0000042300000000 ] - [ 0.0168048800000000, 0.0046734300000000, -0.0000767600000000 ] - [ 0.0168415200000000, 0.0048761400000000, 0.0000320300000000 ] - [ 0.0168415200000000, 0.0048761400000000, -0.0000320300000000 ] - [ 0.0168048800000000, 0.0046734300000000, 0.0000767600000000 ] - [ 0.0019186800000000, -0.0032391200000000, 0.0000000000000000 ] - [ 0.0028240500000000, -0.0040642100000000, -0.0003630300000000 ] - [ 0.0029144800000000, -0.0043350100000000, 0.0000000000000000 ] - [ 0.0028240500000000, -0.0040642100000000, 0.0003630300000000 ] - [ -0.0034303200000000, 0.0044773800000000, 0.0000000000000000 ] - [ -0.0030143500000000, 0.0046318400000000, -0.0000732000000000 ] - [ -0.0030874800000000, 0.0045327300000000, 0.0000000000000000 ] - [ -0.0030143500000000, 0.0046318400000000, 0.0000732000000000 ] - [ -0.0040507000000000, 0.0049533200000000, 0.0000000000000000 ] - [ -0.0039625400000000, 0.0051625300000000, -0.0000431700000000 ] - [ -0.0039887700000000, 0.0049979300000000, 0.0000000000000000 ] - [ -0.0039625400000000, 0.0051625300000000, 0.0000431700000000 ] - [ 0.0042593900000000, -0.0055974400000000, 0.0000000000000000 ] - [ 0.0039206100000000, -0.0049579900000000, 0.0000091400000000 ] - [ 0.0040641500000000, -0.0049672900000000, 0.0000000000000000 ] - [ 0.0039206100000000, -0.0049579900000000, -0.0000091400000000 ] - [ -0.0040229400000000, -0.0049466700000000, 0.0000000000000000 ] - [ -0.0040552000000000, -0.0050157700000000, -0.0000362100000000 ] - [ -0.0039459400000000, -0.0049560500000000, 0.0000000000000000 ] - [ -0.0040552000000000, -0.0050157700000000, 0.0000362100000000 ] - [ 0.0012726600000000, 0.0089858200000000, 0.0000000000000000 ] - [ 0.0041683500000000, 0.0048618200000000, -0.0000482200000000 ] - [ 0.0039671100000000, 0.0049466800000000, 0.0000000000000000 ] - [ 0.0041683500000000, 0.0048618200000000, 0.0000482200000000 ] - [ -0.0029601900000000, -0.0042153400000000, 0.0000000000000000 ] - [ -0.0030493000000000, -0.0045132500000000, 0.0000306300000000 ] - [ -0.0030734500000000, -0.0044143600000000, 0.0000000000000000 ] - [ -0.0030493000000000, -0.0045132500000000, -0.0000306300000000 ] - [ -0.0085356400000000, 0.0193796200000000, 0.0000000000000000 ] - [ 0.0029626200000000, 0.0043829900000000, 0.0000952400000000 ] - [ 0.0031174500000000, 0.0043422000000000, 0.0000000000000000 ] - [ 0.0029626200000000, 0.0043829900000000, -0.0000952400000000 ] - [ -0.0653265900000000, -0.1081897000000000, 0.0000000000000000 ] - [ -0.0349259500000000, 0.0119324100000000, -0.0006295100000000 ] - [ -0.0376225600000000, 0.0108769600000000, 0.0000000000000000 ] - [ -0.0349259500000000, 0.0119324100000000, 0.0006295100000000 ] - [ 0.0366726900000000, -0.0117480000000000, 0.0000000000000000 ] - [ 0.0367718900000000, -0.0118424600000000, -0.0000642400000000 ] - [ 0.0366514800000000, -0.0119010900000000, 0.0000000000000000 ] - [ 0.0367718900000000, -0.0118424600000000, 0.0000642400000000 ] - [ -0.0362692100000000, -0.0121300600000000, 0.0000000000000000 ] - [ -0.0366782100000000, -0.0118542500000000, 0.0000980800000000 ] - [ -0.0367701800000000, -0.0118627600000000, 0.0000000000000000 ] - [ -0.0366782100000000, -0.0118542500000000, -0.0000980800000000 ] - [ 0.0368232400000000, 0.0118511500000000, 0.0000000000000000 ] - [ 0.0367595800000000, 0.0120395900000000, -0.0000365400000000 ] - [ 0.0367276600000000, 0.0119433600000000, 0.0000000000000000 ] - [ 0.0367595800000000, 0.0120395900000000, 0.0000365400000000 ] - [ 0.0000443400000000, 0.0005672100000000, 0.0000000000000000 ] - [ -0.0000398700000000, -0.0002988700000000, 0.0005549400000000 ] - [ -0.0000069400000000, -0.0002011900000000, 0.0000000000000000 ] - [ -0.0000398700000000, -0.0002988700000000, -0.0005549400000000 ] - [ -0.0003692000000000, -0.0000255800000000, 0.0000000000000000 ] - [ -0.0000521800000000, 0.0000856000000000, -0.0000332800000000 ] - [ -0.0000559900000000, 0.0000112000000000, 0.0000000000000000 ] - [ -0.0000521800000000, 0.0000856000000000, 0.0000332800000000 ] - [ 0.0330831100000000, -0.0399702400000000, 0.0094920800000000 ] - [ 0.0413300000000000, -0.0447534200000000, -0.0003054200000000 ] - [ 0.0413300000000000, -0.0447534200000000, 0.0003054200000000 ] - [ 0.0330831100000000, -0.0399702400000000, -0.0094920800000000 ] - [ -0.0409374700000000, 0.0452688600000000, 0.0000953300000000 ] - [ -0.0411569600000000, 0.0453291000000000, -0.0000486100000000 ] - [ -0.0411569600000000, 0.0453291000000000, 0.0000486100000000 ] - [ -0.0409374700000000, 0.0452688600000000, -0.0000953300000000 ] - [ 0.0408416400000000, 0.0455057700000000, -0.0014372100000000 ] - [ 0.0414727000000000, 0.0452729300000000, 0.0002011700000000 ] - [ 0.0414727000000000, 0.0452729300000000, -0.0002011700000000 ] - [ 0.0408416400000000, 0.0455057700000000, 0.0014372100000000 ] - [ -0.0414716700000000, -0.0452345900000000, -0.0001340800000000 ] - [ -0.0413611100000000, -0.0454233000000000, -0.0000081500000000 ] - [ -0.0413611100000000, -0.0454233000000000, 0.0000081500000000 ] - [ -0.0414716700000000, -0.0452345900000000, 0.0001340800000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0023301500000000, 0.0011498600000000, -0.0248704000000000 ] - [ 0.0163160400000000, 0.0285521300000000, 0.0014181600000000 ] - [ 0.0163160400000000, 0.0285521300000000, -0.0014181600000000 ] - [ 0.0023301500000000, 0.0011498600000000, 0.0248704000000000 ] - [ -0.0159411400000000, -0.0292507200000000, 0.0000542100000000 ] - [ -0.0159728700000000, -0.0290239200000000, -0.0000724800000000 ] - [ -0.0159728700000000, -0.0290239200000000, 0.0000724800000000 ] - [ -0.0159411400000000, -0.0292507200000000, -0.0000542100000000 ] - [ 0.0157349000000000, -0.0293160600000000, -0.0001776400000000 ] - [ 0.0161667700000000, -0.0289754000000000, 0.0000557700000000 ] - [ 0.0161667700000000, -0.0289754000000000, -0.0000557700000000 ] - [ 0.0157349000000000, -0.0293160600000000, 0.0001776400000000 ] - [ -0.0160651000000000, 0.0290170700000000, 0.0000234600000000 ] - [ -0.0159951000000000, 0.0290339600000000, -0.0000228700000000 ] - [ -0.0159951000000000, 0.0290339600000000, 0.0000228700000000 ] - [ -0.0160651000000000, 0.0290170700000000, -0.0000234600000000 ] - [ -0.0314275100000000, -0.0095755100000000, 0.0172934000000000 ] - [ -0.0176201300000000, 0.0048269200000000, -0.0015290300000000 ] - [ -0.0176201300000000, 0.0048269200000000, 0.0015290300000000 ] - [ -0.0314275100000000, -0.0095755100000000, -0.0172934000000000 ] - [ 0.0169183000000000, -0.0047383700000000, -0.0000238000000000 ] - [ 0.0168289100000000, -0.0048800400000000, -0.0000065400000000 ] - [ 0.0168289100000000, -0.0048800400000000, 0.0000065400000000 ] - [ 0.0169183000000000, -0.0047383700000000, 0.0000238000000000 ] - [ -0.0168758500000000, -0.0050664000000000, 0.0000000400000000 ] - [ -0.0169380300000000, -0.0048301400000000, 0.0000253900000000 ] - [ -0.0169380300000000, -0.0048301400000000, -0.0000253900000000 ] - [ -0.0168758500000000, -0.0050664000000000, -0.0000000400000000 ] - [ 0.0168348900000000, 0.0050917400000000, 0.0000790700000000 ] - [ 0.0168007500000000, 0.0048924000000000, -0.0000287100000000 ] - [ 0.0168007500000000, 0.0048924000000000, 0.0000287100000000 ] - [ 0.0168348900000000, 0.0050917400000000, -0.0000790700000000 ] - [ 0.0042144900000000, -0.0057388200000000, 0.0000000000000000 ] - [ 0.0033139000000000, -0.0049028400000000, 0.0003626000000000 ] - [ 0.0032244600000000, -0.0045981200000000, 0.0000000000000000 ] - [ 0.0033139000000000, -0.0049028400000000, -0.0003626000000000 ] - [ -0.0027099400000000, 0.0044637300000000, 0.0000000000000000 ] - [ -0.0031200200000000, 0.0043143300000000, 0.0000710000000000 ] - [ -0.0030420900000000, 0.0044217500000000, 0.0000000000000000 ] - [ -0.0031200200000000, 0.0043143300000000, -0.0000710000000000 ] - [ -0.0039714800000000, 0.0049455800000000, 0.0000000000000000 ] - [ -0.0040583800000000, 0.0047575500000000, 0.0000460300000000 ] - [ -0.0040263400000000, 0.0049112200000000, 0.0000000000000000 ] - [ -0.0040583800000000, 0.0047575500000000, -0.0000460300000000 ] - [ 0.0037553700000000, -0.0043263600000000, 0.0000000000000000 ] - [ 0.0040966000000000, -0.0049615400000000, -0.0000128400000000 ] - [ 0.0039561900000000, -0.0049524000000000, 0.0000000000000000 ] - [ 0.0040966000000000, -0.0049615400000000, 0.0000128400000000 ] - [ -0.0039935200000000, -0.0049858800000000, 0.0000000000000000 ] - [ -0.0039636700000000, -0.0049100200000000, 0.0000320300000000 ] - [ -0.0040745300000000, -0.0049756600000000, 0.0000000000000000 ] - [ -0.0039636700000000, -0.0049100200000000, -0.0000320300000000 ] - [ 0.0066772400000000, 0.0009803800000000, 0.0000000000000000 ] - [ 0.0038495200000000, 0.0050416900000000, 0.0000439300000000 ] - [ 0.0040409100000000, 0.0049701300000000, 0.0000000000000000 ] - [ 0.0038495200000000, 0.0050416900000000, -0.0000439300000000 ] - [ -0.0032059600000000, -0.0047566400000000, 0.0000000000000000 ] - [ -0.0031002100000000, -0.0044283500000000, -0.0000263900000000 ] - [ -0.0030815700000000, -0.0045262100000000, 0.0000000000000000 ] - [ -0.0031002100000000, -0.0044283500000000, 0.0000263900000000 ] - [ 0.0152364200000000, -0.0110627000000000, 0.0000000000000000 ] - [ 0.0031855400000000, 0.0045548500000000, -0.0000916500000000 ] - [ 0.0030226100000000, 0.0046063700000000, 0.0000000000000000 ] - [ 0.0031855400000000, 0.0045548500000000, 0.0000916500000000 ] - [ -0.0086482700000000, 0.1310753200000000, 0.0000000000000000 ] - [ -0.0385376200000000, 0.0119364300000000, 0.0005078500000000 ] - [ -0.0358285900000000, 0.0130550400000000, 0.0000000000000000 ] - [ -0.0385376200000000, 0.0119364300000000, -0.0005078500000000 ] - [ 0.0367781600000000, -0.0121946800000000, 0.0000000000000000 ] - [ 0.0366779900000000, -0.0120957600000000, 0.0000648500000000 ] - [ 0.0368021600000000, -0.0120317800000000, 0.0000000000000000 ] - [ 0.0366779900000000, -0.0120957600000000, -0.0000648500000000 ] - [ -0.0371843100000000, -0.0118127500000000, 0.0000000000000000 ] - [ -0.0367760300000000, -0.0120862700000000, -0.0000972400000000 ] - [ -0.0366873000000000, -0.0120766100000000, 0.0000000000000000 ] - [ -0.0367760300000000, -0.0120862700000000, 0.0000972400000000 ] - [ 0.0366382800000000, 0.0120849700000000, 0.0000000000000000 ] - [ 0.0366952100000000, 0.0118973500000000, 0.0000369000000000 ] - [ 0.0367304400000000, 0.0119930600000000, 0.0000000000000000 ] - [ 0.0366952100000000, 0.0118973500000000, -0.0000369000000000 ] - [ -0.0000187200000000, -0.0005481000000000, 0.0000000000000000 ] - [ 0.0000442000000000, 0.0003015600000000, -0.0005554300000000 ] - [ 0.0000077700000000, 0.0001986000000000, 0.0000000000000000 ] - [ 0.0000442000000000, 0.0003015600000000, 0.0005554300000000 ] - [ 0.0004722800000000, 0.0000011100000000, 0.0000000000000000 ] - [ 0.0000506400000000, -0.0000870700000000, 0.0000321700000000 ] - [ 0.0000539800000000, -0.0000133600000000, 0.0000000000000000 ] - [ 0.0000506400000000, -0.0000870700000000, -0.0000321700000000 ] - [ 0.0492831800000000, -0.0505243800000000, -0.0092162000000000 ] - [ 0.0412542100000000, -0.0459781000000000, 0.0003145700000000 ] - [ 0.0412542100000000, -0.0459781000000000, -0.0003145700000000 ] - [ 0.0492831800000000, -0.0505243800000000, 0.0092162000000000 ] - [ -0.0416472100000000, 0.0454648600000000, -0.0000944800000000 ] - [ -0.0414228000000000, 0.0453989900000000, 0.0000531000000000 ] - [ -0.0414228000000000, 0.0453989900000000, -0.0000531000000000 ] - [ -0.0416472100000000, 0.0454648600000000, 0.0000944800000000 ] - [ 0.0417256600000000, 0.0452041700000000, 0.0014249900000000 ] - [ 0.0411059900000000, 0.0454562300000000, -0.0001966300000000 ] - [ 0.0411059900000000, 0.0454562300000000, 0.0001966300000000 ] - [ 0.0417256600000000, 0.0452041700000000, -0.0014249900000000 ] - [ -0.0411004900000000, -0.0455022300000000, 0.0001146700000000 ] - [ -0.0412202300000000, -0.0453125800000000, 0.0000125300000000 ] - [ -0.0412202300000000, -0.0453125800000000, -0.0000125300000000 ] - [ -0.0411004900000000, -0.0455022300000000, -0.0001146700000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0278922800000000, 0.0513137000000000, 0.0336742800000000 ] - [ 0.0162642700000000, 0.0289817400000000, 0.0006383900000000 ] - [ 0.0157808000000000, 0.0291467000000000, 0.0006249300000000 ] - [ 0.0046068300000000, 0.0079225100000000, 0.0325303900000000 ] - [ -0.0161141000000000, -0.0290097700000000, 0.0001252000000000 ] - [ -0.0161374600000000, -0.0291288700000000, -0.0000392000000000 ] - [ -0.0158874800000000, -0.0289853600000000, -0.0000379100000000 ] - [ -0.0159129400000000, -0.0291066000000000, 0.0001245100000000 ] - [ 0.0159311000000000, -0.0291629400000000, -0.0000667400000000 ] - [ 0.0162321800000000, -0.0290526900000000, 0.0000107300000000 ] - [ 0.0157962500000000, -0.0290618200000000, 0.0000102200000000 ] - [ 0.0161094900000000, -0.0289417400000000, -0.0000655800000000 ] - [ -0.0160117500000000, 0.0290317100000000, 0.0000051900000000 ] - [ -0.0160602300000000, 0.0289862300000000, 0.0000120200000000 ] - [ -0.0159617200000000, 0.0291257600000000, 0.0000126900000000 ] - [ -0.0160131200000000, 0.0290807000000000, 0.0000052900000000 ] - [ -0.0359935200000000, -0.0093593600000000, 0.0328418200000000 ] - [ -0.0164894900000000, 0.0045980600000000, 0.0004499100000000 ] - [ -0.0171620000000000, 0.0051498800000000, 0.0004384500000000 ] - [ 0.0013215600000000, 0.0185187100000000, 0.0317244000000000 ] - [ 0.0169156000000000, -0.0048184900000000, 0.0001522600000000 ] - [ 0.0167582300000000, -0.0048418200000000, -0.0001003100000000 ] - [ 0.0168876500000000, -0.0049257200000000, -0.0000992900000000 ] - [ 0.0167309400000000, -0.0049491900000000, 0.0001537500000000 ] - [ -0.0169629300000000, -0.0045350200000000, 0.0001363800000000 ] - [ -0.0168453600000000, -0.0049221200000000, -0.0000378200000000 ] - [ -0.0167998300000000, -0.0048432500000000, -0.0000382500000000 ] - [ -0.0166902000000000, -0.0052204100000000, 0.0001370500000000 ] - [ 0.0168160700000000, 0.0047242500000000, -0.0000533700000000 ] - [ 0.0168261100000000, 0.0048721200000000, 0.0000161900000000 ] - [ 0.0168182500000000, 0.0048955600000000, 0.0000166500000000 ] - [ 0.0168313400000000, 0.0050416600000000, -0.0000544200000000 ] - [ 0.0030844200000000, -0.0044741200000000, -0.0019004100000000 ] - [ 0.0025083500000000, -0.0044537900000000, -0.0001465400000000 ] - [ 0.0030731400000000, -0.0044718300000000, 0.0002176600000000 ] - [ 0.0036411600000000, -0.0044761000000000, -0.0001603200000000 ] - [ -0.0030769100000000, 0.0044727000000000, -0.0000959500000000 ] - [ -0.0031105100000000, 0.0044155800000000, 0.0000186000000000 ] - [ -0.0030748700000000, 0.0044714000000000, -0.0000502900000000 ] - [ -0.0030394300000000, 0.0045318800000000, 0.0000203500000000 ] - [ -0.0040086000000000, 0.0049525700000000, 0.0002726300000000 ] - [ -0.0040134400000000, 0.0049458900000000, -0.0000517500000000 ] - [ -0.0040060100000000, 0.0049538800000000, -0.0000210600000000 ] - [ -0.0039985500000000, 0.0049661400000000, -0.0000480100000000 ] - [ 0.0040102000000000, -0.0049601100000000, -0.0003541600000000 ] - [ 0.0039764400000000, -0.0050303500000000, 0.0000212600000000 ] - [ 0.0040061400000000, -0.0049547900000000, -0.0000506600000000 ] - [ 0.0040326000000000, -0.0048748800000000, 0.0000233900000000 ] - [ -0.0040057400000000, -0.0049546600000000, -0.0000390200000000 ] - [ -0.0039080800000000, -0.0049233500000000, 0.0000069700000000 ] - [ -0.0040058500000000, -0.0049541100000000, 0.0000424600000000 ] - [ -0.0041084600000000, -0.0049845100000000, 0.0000084500000000 ] - [ 0.0040122700000000, 0.0049357600000000, -0.0020400400000000 ] - [ 0.0041834200000000, 0.0059440400000000, 0.0004053700000000 ] - [ 0.0040054600000000, 0.0049554800000000, 0.0001563300000000 ] - [ 0.0038139200000000, 0.0039540400000000, 0.0003917000000000 ] - [ -0.0030736800000000, -0.0044706000000000, 0.0001475400000000 ] - [ -0.0030930800000000, -0.0044466200000000, -0.0000275900000000 ] - [ -0.0030756600000000, -0.0044714900000000, -0.0000356000000000 ] - [ -0.0030576700000000, -0.0044968200000000, -0.0000273800000000 ] - [ 0.0030595500000000, 0.0044824800000000, 0.0019158300000000 ] - [ 0.0032484600000000, 0.0044115300000000, -0.0002812500000000 ] - [ 0.0030731100000000, 0.0044728100000000, -0.0000569500000000 ] - [ 0.0029068300000000, 0.0045238600000000, -0.0002878300000000 ] - [ -0.0359873100000000, 0.0113009800000000, -0.1667948400000000 ] - [ -0.0382719600000000, 0.0125401500000000, 0.0092094900000000 ] - [ -0.0367293500000000, 0.0119696800000000, 0.0000671900000000 ] - [ -0.0352004500000000, 0.0114038800000000, 0.0090851700000000 ] - [ 0.0367263400000000, -0.0119681800000000, -0.0004122700000000 ] - [ 0.0366454200000000, -0.0120329100000000, 0.0000099900000000 ] - [ 0.0367262400000000, -0.0119682700000000, 0.0002095700000000 ] - [ 0.0368069100000000, -0.0119051800000000, 0.0000095400000000 ] - [ -0.0367214400000000, -0.0119727600000000, -0.0007051800000000 ] - [ -0.0367560900000000, -0.0118695700000000, 0.0003788900000000 ] - [ -0.0367285500000000, -0.0119673500000000, -0.0001258700000000 ] - [ -0.0366996600000000, -0.0120665500000000, 0.0003799200000000 ] - [ 0.0367274100000000, 0.0119688900000000, -0.0000233900000000 ] - [ 0.0367211000000000, 0.0120046500000000, 0.0000549400000000 ] - [ 0.0367266000000000, 0.0119683800000000, -0.0000313700000000 ] - [ 0.0367314200000000, 0.0119301800000000, 0.0000545200000000 ] - [ 0.0000080500000000, -0.0000052100000000, -0.0002331800000000 ] - [ -0.0001756200000000, 0.0000625300000000, 0.0002477500000000 ] - [ -0.0000004200000000, -0.0000000400000000, -0.0003415300000000 ] - [ 0.0001671200000000, -0.0000556200000000, 0.0002352500000000 ] - [ 0.0000072400000000, -0.0000014700000000, 0.0001967900000000 ] - [ -0.0000292500000000, -0.0000206300000000, -0.0000321800000000 ] - [ -0.0000000100000000, 0.0000004200000000, 0.0000207600000000 ] - [ 0.0000305100000000, 0.0000179200000000, -0.0000312400000000 ] - [ 0.0345223400000000, -0.0394452100000000, 0.0100200900000000 ] - [ 0.0409636000000000, -0.0449369900000000, -0.0010704200000000 ] - [ 0.0416152800000000, -0.0457959600000000, -0.0010380700000000 ] - [ 0.0478648800000000, -0.0511043600000000, 0.0097082600000000 ] - [ -0.0412894800000000, 0.0454149900000000, 0.0000802900000000 ] - [ -0.0409984000000000, 0.0453675600000000, -0.0000768300000000 ] - [ -0.0415775500000000, 0.0453605300000000, -0.0000755200000000 ] - [ -0.0412877800000000, 0.0453150300000000, 0.0000759200000000 ] - [ 0.0413643700000000, 0.0451445400000000, -0.0001052300000000 ] - [ 0.0411493400000000, 0.0454377700000000, 0.0000303000000000 ] - [ 0.0414264700000000, 0.0452928100000000, 0.0000276700000000 ] - [ 0.0412231900000000, 0.0455641500000000, -0.0001004500000000 ] - [ -0.0412628100000000, -0.0453442800000000, -0.0001080400000000 ] - [ -0.0413382600000000, -0.0453653700000000, 0.0000463700000000 ] - [ -0.0412400600000000, -0.0453676100000000, 0.0000463400000000 ] - [ -0.0413151300000000, -0.0453875200000000, -0.0001109300000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0163752100000000, 0.0290596100000000, -0.0000647100000000 ] - [ 0.0161569100000000, 0.0291672700000000, 0.0001538800000000 ] - [ 0.0161569100000000, 0.0291672700000000, -0.0001538800000000 ] - [ 0.0163752100000000, 0.0290596100000000, 0.0000647100000000 ] - [ -0.0156609000000000, -0.0290570200000000, 0.0000572700000000 ] - [ -0.0158812800000000, -0.0289548900000000, -0.0001617300000000 ] - [ -0.0158812800000000, -0.0289548900000000, 0.0001617300000000 ] - [ -0.0156609000000000, -0.0290570200000000, -0.0000572700000000 ] - [ 0.0165259300000000, -0.0290392600000000, 0.0000558900000000 ] - [ 0.0159784700000000, -0.0290566800000000, -0.0000180900000000 ] - [ 0.0159784700000000, -0.0290566800000000, 0.0000180900000000 ] - [ 0.0165259300000000, -0.0290392600000000, -0.0000558900000000 ] - [ -0.0155289200000000, 0.0290632800000000, -0.0000544900000000 ] - [ -0.0160669100000000, 0.0290513600000000, 0.0000170900000000 ] - [ -0.0160669100000000, 0.0290513600000000, -0.0000170900000000 ] - [ -0.0155289200000000, 0.0290632800000000, 0.0000544900000000 ] - [ -0.0161630100000000, 0.0051482200000000, 0.0004956100000000 ] - [ -0.0167132300000000, 0.0049026800000000, -0.0001155600000000 ] - [ -0.0167132300000000, 0.0049026800000000, 0.0001155600000000 ] - [ -0.0161630100000000, 0.0051482200000000, -0.0004956100000000 ] - [ 0.0174726300000000, -0.0046110000000000, -0.0004958400000000 ] - [ 0.0169310400000000, -0.0048585100000000, 0.0001104700000000 ] - [ 0.0169310400000000, -0.0048585100000000, -0.0001104700000000 ] - [ 0.0174726300000000, -0.0046110000000000, 0.0004958400000000 ] - [ -0.0172396200000000, -0.0049121800000000, 0.0003505000000000 ] - [ -0.0168369400000000, -0.0049162700000000, -0.0000573700000000 ] - [ -0.0168369400000000, -0.0049162700000000, 0.0000573700000000 ] - [ -0.0172396200000000, -0.0049121800000000, -0.0003505000000000 ] - [ 0.0163994800000000, 0.0048114500000000, -0.0003494000000000 ] - [ 0.0167987800000000, 0.0048238800000000, 0.0000544700000000 ] - [ 0.0167987800000000, 0.0048238800000000, -0.0000544700000000 ] - [ 0.0163994800000000, 0.0048114500000000, 0.0003494000000000 ] - [ 0.0183070000000000, -0.0092449700000000, 0.0000000000000000 ] - [ 0.0027136300000000, -0.0043560400000000, 0.0004034600000000 ] - [ 0.0030348200000000, -0.0043937000000000, 0.0000000000000000 ] - [ 0.0027136300000000, -0.0043560400000000, -0.0004034600000000 ] - [ 0.0122168300000000, -0.0002713700000000, 0.0000000000000000 ] - [ -0.0034134600000000, 0.0045813200000000, -0.0004004600000000 ] - [ -0.0031112000000000, 0.0045428400000000, 0.0000000000000000 ] - [ -0.0034134600000000, 0.0045813200000000, 0.0004004600000000 ] - [ -0.0040132600000000, 0.0051875100000000, 0.0000000000000000 ] - [ -0.0040057800000000, 0.0049912500000000, 0.0003275200000000 ] - [ -0.0039499200000000, 0.0048980600000000, 0.0000000000000000 ] - [ -0.0040057800000000, 0.0049912500000000, -0.0003275200000000 ] - [ 0.0040111200000000, -0.0047493100000000, 0.0000000000000000 ] - [ 0.0040173100000000, -0.0049500800000000, -0.0003318200000000 ] - [ 0.0040758300000000, -0.0050431300000000, 0.0000000000000000 ] - [ 0.0040173100000000, -0.0049500800000000, 0.0003318200000000 ] - [ 0.0582748100000000, -0.0002238200000000, 0.0000000000000000 ] - [ -0.0041232700000000, -0.0048675800000000, -0.0006580900000000 ] - [ -0.0038288400000000, -0.0050038900000000, 0.0000000000000000 ] - [ -0.0041232700000000, -0.0048675800000000, 0.0006580900000000 ] - [ 0.0696724400000000, 0.0097901400000000, 0.0000000000000000 ] - [ 0.0039002700000000, 0.0050569900000000, 0.0006590200000000 ] - [ 0.0041963900000000, 0.0049209600000000, 0.0000000000000000 ] - [ 0.0039002700000000, 0.0050569900000000, -0.0006590200000000 ] - [ -0.0029471400000000, -0.0047154400000000, 0.0000000000000000 ] - [ -0.0030855300000000, -0.0044775100000000, 0.0000584100000000 ] - [ -0.0030350800000000, -0.0044696800000000, 0.0000000000000000 ] - [ -0.0030855300000000, -0.0044775100000000, -0.0000584100000000 ] - [ 0.0031771000000000, 0.0042355100000000, 0.0000000000000000 ] - [ 0.0030344900000000, 0.0044740400000000, -0.0000602700000000 ] - [ 0.0030903300000000, 0.0044785300000000, 0.0000000000000000 ] - [ 0.0030344900000000, 0.0044740400000000, 0.0000602700000000 ] - [ -0.0359624000000000, 0.0120011400000000, 0.0000000000000000 ] - [ -0.0369227900000000, 0.0119254900000000, 0.0001752300000000 ] - [ -0.0369288300000000, 0.0119629400000000, 0.0000000000000000 ] - [ -0.0369227900000000, 0.0119254900000000, -0.0001752300000000 ] - [ 0.0375015300000000, -0.0119410900000000, 0.0000000000000000 ] - [ 0.0365316000000000, -0.0120105400000000, -0.0001680400000000 ] - [ 0.0365369000000000, -0.0119785000000000, 0.0000000000000000 ] - [ 0.0365316000000000, -0.0120105400000000, 0.0001680400000000 ] - [ -0.0384938500000000, -0.0115690300000000, 0.0000000000000000 ] - [ -0.0367847400000000, -0.0119163300000000, 0.0000290100000000 ] - [ -0.0367731000000000, -0.0119126500000000, 0.0000000000000000 ] - [ -0.0367847400000000, -0.0119163300000000, -0.0000290100000000 ] - [ 0.0349638300000000, 0.0124113200000000, 0.0000000000000000 ] - [ 0.0366604200000000, 0.0120164300000000, -0.0000287100000000 ] - [ 0.0366741600000000, 0.0120169400000000, 0.0000000000000000 ] - [ 0.0366604200000000, 0.0120164300000000, 0.0000287100000000 ] - [ -0.1569873200000000, 0.0102366700000000, 0.0000000000000000 ] - [ -0.0012036200000000, 0.0010707500000000, 0.0000092200000000 ] - [ -0.0004706000000000, 0.0000079500000000, 0.0000000000000000 ] - [ -0.0012036200000000, 0.0010707500000000, -0.0000092200000000 ] - [ 0.0009713100000000, 0.0002155600000000, 0.0000000000000000 ] - [ 0.0001678500000000, 0.0000743800000000, -0.0000003600000000 ] - [ 0.0000103500000000, 0.0000693000000000, 0.0000000000000000 ] - [ 0.0001678500000000, 0.0000743800000000, 0.0000003600000000 ] - [ 0.0416645700000000, -0.0491611400000000, -0.0024266300000000 ] - [ 0.0413119600000000, -0.0453701300000000, -0.0003154500000000 ] - [ 0.0413119600000000, -0.0453701300000000, 0.0003154500000000 ] - [ 0.0416645700000000, -0.0491611400000000, 0.0024266300000000 ] - [ -0.0410041500000000, 0.0415948300000000, 0.0024189400000000 ] - [ -0.0412667800000000, 0.0453730600000000, 0.0003194200000000 ] - [ -0.0412667800000000, 0.0453730600000000, -0.0003194200000000 ] - [ -0.0410041500000000, 0.0415948300000000, -0.0024189400000000 ] - [ 0.0407676900000000, 0.0450668900000000, 0.0013100800000000 ] - [ 0.0413745700000000, 0.0454505900000000, 0.0001393600000000 ] - [ 0.0413745700000000, 0.0454505900000000, -0.0001393600000000 ] - [ 0.0407676900000000, 0.0450668900000000, -0.0013100800000000 ] - [ -0.0417882900000000, -0.0456419000000000, -0.0012846000000000 ] - [ -0.0412001900000000, -0.0452761100000000, -0.0001362200000000 ] - [ -0.0412001900000000, -0.0452761100000000, 0.0001362200000000 ] - [ -0.0417882900000000, -0.0456419000000000, 0.0012846000000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0159758200000000, 0.0296179300000000, -0.0003239300000000 ] - [ 0.0160756200000000, 0.0291627000000000, 0.0001547000000000 ] - [ 0.0160756200000000, 0.0291627000000000, -0.0001547000000000 ] - [ 0.0159758200000000, 0.0296179300000000, 0.0003239300000000 ] - [ -0.0160584100000000, -0.0284881600000000, 0.0003219900000000 ] - [ -0.0159461700000000, -0.0289515100000000, -0.0001604900000000 ] - [ -0.0159461700000000, -0.0289515100000000, 0.0001604900000000 ] - [ -0.0160584100000000, -0.0284881600000000, -0.0003219900000000 ] - [ 0.0160060600000000, -0.0291144000000000, -0.0000575100000000 ] - [ 0.0160528300000000, -0.0290546100000000, -0.0000274100000000 ] - [ 0.0160528300000000, -0.0290546100000000, 0.0000274100000000 ] - [ 0.0160060600000000, -0.0291144000000000, 0.0000575100000000 ] - [ -0.0160161800000000, 0.0289876500000000, 0.0000556600000000 ] - [ -0.0159726800000000, 0.0290510400000000, 0.0000232300000000 ] - [ -0.0159726800000000, 0.0290510400000000, -0.0000232300000000 ] - [ -0.0160161800000000, 0.0289876500000000, -0.0000556600000000 ] - [ -0.0168299200000000, 0.0051503300000000, -0.0001396800000000 ] - [ -0.0166992000000000, 0.0050201900000000, -0.0002121300000000 ] - [ -0.0166992000000000, 0.0050201900000000, 0.0002121300000000 ] - [ -0.0168299200000000, 0.0051503300000000, 0.0001396800000000 ] - [ 0.0168190300000000, -0.0046208000000000, 0.0001290200000000 ] - [ 0.0169433200000000, -0.0047427900000000, 0.0002051500000000 ] - [ 0.0169433200000000, -0.0047427900000000, -0.0002051500000000 ] - [ 0.0168190300000000, -0.0046208000000000, -0.0001290200000000 ] - [ -0.0168977000000000, -0.0052383200000000, 0.0003215600000000 ] - [ -0.0167811200000000, -0.0048774000000000, -0.0000375400000000 ] - [ -0.0167811200000000, -0.0048774000000000, 0.0000375400000000 ] - [ -0.0168977000000000, -0.0052383200000000, -0.0003215600000000 ] - [ 0.0167409400000000, 0.0045283200000000, -0.0003243100000000 ] - [ 0.0168590300000000, 0.0048847800000000, 0.0000364800000000 ] - [ 0.0168590300000000, 0.0048847800000000, -0.0000364800000000 ] - [ 0.0167409400000000, 0.0045283200000000, 0.0003243100000000 ] - [ -0.0046893400000000, 0.0623237600000000, 0.0000000000000000 ] - [ 0.0031718800000000, -0.0045099300000000, -0.0005275900000000 ] - [ 0.0029748500000000, -0.0043581800000000, 0.0000000000000000 ] - [ 0.0031718800000000, -0.0045099300000000, 0.0005275900000000 ] - [ -0.0114080200000000, 0.0747777500000000, 0.0000000000000000 ] - [ -0.0029801700000000, 0.0044324500000000, 0.0005254600000000 ] - [ -0.0031721200000000, 0.0045809500000000, 0.0000000000000000 ] - [ -0.0029801700000000, 0.0044324500000000, -0.0005254600000000 ] - [ -0.0038878000000000, 0.0049480200000000, 0.0000000000000000 ] - [ -0.0039472800000000, 0.0049641600000000, -0.0000170900000000 ] - [ -0.0039842300000000, 0.0049507300000000, 0.0000000000000000 ] - [ -0.0039472800000000, 0.0049641600000000, 0.0000170900000000 ] - [ 0.0041259000000000, -0.0049738900000000, 0.0000000000000000 ] - [ 0.0040663300000000, -0.0049543500000000, 0.0000196500000000 ] - [ 0.0040268800000000, -0.0049649100000000, 0.0000000000000000 ] - [ 0.0040663300000000, -0.0049543500000000, -0.0000196500000000 ] - [ 0.0034277000000000, 0.0062671600000000, 0.0000000000000000 ] - [ -0.0038219100000000, -0.0053064700000000, 0.0003844100000000 ] - [ -0.0038345300000000, -0.0049786000000000, 0.0000000000000000 ] - [ -0.0038219100000000, -0.0053064700000000, -0.0003844100000000 ] - [ 0.0113506400000000, 0.0162080300000000, 0.0000000000000000 ] - [ 0.0041835000000000, 0.0046199100000000, -0.0003868900000000 ] - [ 0.0041741100000000, 0.0049316700000000, 0.0000000000000000 ] - [ 0.0041835000000000, 0.0046199100000000, 0.0003868900000000 ] - [ -0.0032381100000000, -0.0045134500000000, 0.0000000000000000 ] - [ -0.0031031100000000, -0.0044586000000000, -0.0000231500000000 ] - [ -0.0030963000000000, -0.0043918100000000, 0.0000000000000000 ] - [ -0.0031031100000000, -0.0044586000000000, 0.0000231500000000 ] - [ 0.0029037200000000, 0.0044307600000000, 0.0000000000000000 ] - [ 0.0030403500000000, 0.0044816300000000, 0.0000240100000000 ] - [ 0.0030526800000000, 0.0045447000000000, 0.0000000000000000 ] - [ 0.0030403500000000, 0.0044816300000000, -0.0000240100000000 ] - [ -0.0367667700000000, 0.0125388600000000, 0.0000000000000000 ] - [ -0.0367158500000000, 0.0116731700000000, -0.0000563300000000 ] - [ -0.0368013400000000, 0.0117732400000000, 0.0000000000000000 ] - [ -0.0367158500000000, 0.0116731700000000, 0.0000563300000000 ] - [ 0.0366882400000000, -0.0114209100000000, 0.0000000000000000 ] - [ 0.0367401000000000, -0.0122702700000000, 0.0000612000000000 ] - [ 0.0366493200000000, -0.0121691500000000, 0.0000000000000000 ] - [ 0.0367401000000000, -0.0122702700000000, -0.0000612000000000 ] - [ -0.0363936600000000, -0.0119846600000000, 0.0000000000000000 ] - [ -0.0367351800000000, -0.0118808500000000, -0.0000187700000000 ] - [ -0.0367204400000000, -0.0119528600000000, 0.0000000000000000 ] - [ -0.0367351800000000, -0.0118808500000000, 0.0000187700000000 ] - [ 0.0370095000000000, 0.0119538700000000, 0.0000000000000000 ] - [ 0.0367204200000000, 0.0120551800000000, 0.0000219700000000 ] - [ 0.0367308900000000, 0.0119804600000000, 0.0000000000000000 ] - [ 0.0367204200000000, 0.0120551800000000, -0.0000219700000000 ] - [ 0.0102491900000000, -0.1596681400000000, 0.0000000000000000 ] - [ 0.0010710800000000, -0.0007664900000000, 0.0000053800000000 ] - [ 0.0000086100000000, -0.0002776500000000, 0.0000000000000000 ] - [ 0.0010710800000000, -0.0007664900000000, -0.0000053800000000 ] - [ -0.0002153900000000, 0.0002408700000000, 0.0000000000000000 ] - [ -0.0000744700000000, 0.0000445200000000, 0.0000022700000000 ] - [ -0.0000690700000000, -0.0000538000000000, 0.0000000000000000 ] - [ -0.0000744700000000, 0.0000445200000000, -0.0000022700000000 ] - [ 0.0380993300000000, -0.0455931000000000, 0.0021524900000000 ] - [ 0.0412886000000000, -0.0453112200000000, 0.0003759900000000 ] - [ 0.0412886000000000, -0.0453112200000000, -0.0003759900000000 ] - [ 0.0380993300000000, -0.0455931000000000, -0.0021524900000000 ] - [ -0.0444908700000000, 0.0452089100000000, -0.0021123200000000 ] - [ -0.0412954700000000, 0.0454140200000000, -0.0003754100000000 ] - [ -0.0412954700000000, 0.0454140200000000, 0.0003754100000000 ] - [ -0.0444908700000000, 0.0452089100000000, 0.0021123200000000 ] - [ 0.0413617300000000, 0.0456210000000000, -0.0001727100000000 ] - [ 0.0411926900000000, 0.0453434800000000, -0.0000297900000000 ] - [ 0.0411926900000000, 0.0453434800000000, 0.0000297900000000 ] - [ 0.0413617300000000, 0.0456210000000000, 0.0001727100000000 ] - [ -0.0412069800000000, -0.0451072300000000, 0.0001617600000000 ] - [ -0.0413835400000000, -0.0453862800000000, 0.0000268200000000 ] - [ -0.0413835400000000, -0.0453862800000000, -0.0000268200000000 ] - [ -0.0412069800000000, -0.0451072300000000, -0.0001617600000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0156066000000000, 0.0285084300000000, 0.0006021000000000 ] - [ 0.0161265500000000, 0.0291305100000000, 0.0001622500000000 ] - [ 0.0158985100000000, 0.0289854500000000, 0.0001612700000000 ] - [ 0.0164216300000000, 0.0296133700000000, 0.0006108900000000 ] - [ -0.0156066000000000, -0.0285084300000000, 0.0006021000000000 ] - [ -0.0161265500000000, -0.0291305100000000, 0.0001622500000000 ] - [ -0.0158985100000000, -0.0289854500000000, 0.0001612700000000 ] - [ -0.0164216300000000, -0.0296133700000000, 0.0006108900000000 ] - [ 0.0159534800000000, -0.0289960600000000, 0.0000311600000000 ] - [ 0.0159611600000000, -0.0290444000000000, 0.0000188600000000 ] - [ 0.0160625900000000, -0.0290680400000000, 0.0000186200000000 ] - [ 0.0160724200000000, -0.0291143700000000, 0.0000325800000000 ] - [ -0.0159534800000000, 0.0289960600000000, 0.0000311600000000 ] - [ -0.0159611600000000, 0.0290444000000000, 0.0000188600000000 ] - [ -0.0160625900000000, 0.0290680400000000, 0.0000186200000000 ] - [ -0.0160724200000000, 0.0291143700000000, 0.0000325800000000 ] - [ -0.0161975000000000, 0.0054871200000000, 0.0006794500000000 ] - [ -0.0168404700000000, 0.0047966900000000, 0.0001888600000000 ] - [ -0.0168070100000000, 0.0049680300000000, 0.0001878300000000 ] - [ -0.0174601400000000, 0.0042758800000000, 0.0006882200000000 ] - [ 0.0161975000000000, -0.0054871200000000, 0.0006794500000000 ] - [ 0.0168404700000000, -0.0047966900000000, 0.0001888600000000 ] - [ 0.0168070100000000, -0.0049680300000000, 0.0001878300000000 ] - [ 0.0174601400000000, -0.0042758800000000, 0.0006882200000000 ] - [ -0.0167799700000000, -0.0049492600000000, -0.0001490700000000 ] - [ -0.0168545100000000, -0.0048707000000000, -0.0000147700000000 ] - [ -0.0167912800000000, -0.0048955500000000, -0.0000149800000000 ] - [ -0.0168668600000000, -0.0048186400000000, -0.0001482300000000 ] - [ 0.0167799700000000, 0.0049492600000000, -0.0001490700000000 ] - [ 0.0168545100000000, 0.0048707000000000, -0.0000147700000000 ] - [ 0.0167912800000000, 0.0048955500000000, -0.0000149800000000 ] - [ 0.0168668600000000, 0.0048186400000000, -0.0001482300000000 ] - [ 0.0030456300000000, -0.0043338300000000, 0.0032340800000000 ] - [ 0.0030668700000000, -0.0048168700000000, 0.0007171900000000 ] - [ 0.0030742300000000, -0.0044704200000000, 0.0002250800000000 ] - [ 0.0030802900000000, -0.0041283900000000, 0.0007135100000000 ] - [ -0.0030456300000000, 0.0043338300000000, 0.0032340800000000 ] - [ -0.0030668700000000, 0.0048168700000000, 0.0007171900000000 ] - [ -0.0030742300000000, 0.0044704200000000, 0.0002250800000000 ] - [ -0.0030802900000000, 0.0041283900000000, 0.0007135100000000 ] - [ -0.0040060600000000, 0.0049533000000000, 0.0000238500000000 ] - [ -0.0040088900000000, 0.0049409200000000, -0.0000276900000000 ] - [ -0.0040055300000000, 0.0049541800000000, 0.0000506000000000 ] - [ -0.0040022600000000, 0.0049680200000000, -0.0000273500000000 ] - [ 0.0040060600000000, -0.0049533000000000, 0.0000238500000000 ] - [ 0.0040088900000000, -0.0049409200000000, -0.0000276900000000 ] - [ 0.0040055300000000, -0.0049541800000000, 0.0000506000000000 ] - [ 0.0040022600000000, -0.0049680200000000, -0.0000273500000000 ] - [ -0.0038736900000000, -0.0049461200000000, 0.0045510500000000 ] - [ -0.0044096600000000, -0.0049238200000000, 0.0008596400000000 ] - [ -0.0040038700000000, -0.0049541600000000, 0.0002824100000000 ] - [ -0.0036025800000000, -0.0049857200000000, 0.0008584700000000 ] - [ 0.0038736900000000, 0.0049461200000000, 0.0045510500000000 ] - [ 0.0044096600000000, 0.0049238200000000, 0.0008596400000000 ] - [ 0.0040038700000000, 0.0049541600000000, 0.0002824100000000 ] - [ 0.0036025800000000, 0.0049857200000000, 0.0008584700000000 ] - [ -0.0030753300000000, -0.0044717600000000, 0.0000421000000000 ] - [ -0.0030976000000000, -0.0044854600000000, 0.0000343500000000 ] - [ -0.0030745900000000, -0.0044714800000000, 0.0000013400000000 ] - [ -0.0030497000000000, -0.0044592200000000, 0.0000358800000000 ] - [ 0.0030753300000000, 0.0044717600000000, 0.0000421000000000 ] - [ 0.0030976000000000, 0.0044854600000000, 0.0000343500000000 ] - [ 0.0030745900000000, 0.0044714800000000, 0.0000013400000000 ] - [ 0.0030497000000000, 0.0044592200000000, 0.0000358800000000 ] - [ -0.0367299000000000, 0.0119735900000000, -0.0002316800000000 ] - [ -0.0361992400000000, 0.0114106800000000, 0.0002466200000000 ] - [ -0.0367279500000000, 0.0119699000000000, -0.0003403300000000 ] - [ -0.0372487900000000, 0.0125223800000000, 0.0002390000000000 ] - [ 0.0367299000000000, -0.0119735900000000, -0.0002316800000000 ] - [ 0.0361992400000000, -0.0114106800000000, 0.0002466200000000 ] - [ 0.0367279500000000, -0.0119699000000000, -0.0003403300000000 ] - [ 0.0372487900000000, -0.0125223800000000, 0.0002390000000000 ] - [ -0.0367222300000000, -0.0119735000000000, 0.0001983100000000 ] - [ -0.0366596400000000, -0.0120009000000000, -0.0000307800000000 ] - [ -0.0367270800000000, -0.0119681600000000, 0.0000222500000000 ] - [ -0.0367924600000000, -0.0119351600000000, -0.0000300100000000 ] - [ 0.0367222300000000, 0.0119735000000000, 0.0001983100000000 ] - [ 0.0366596400000000, 0.0120009000000000, -0.0000307800000000 ] - [ 0.0367270800000000, 0.0119681600000000, 0.0000222500000000 ] - [ 0.0367924600000000, 0.0119351600000000, -0.0000300100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0126973500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001308300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003444900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000962000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000679300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000514300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000457600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000515900000000 ] - [ 0.0421284000000000, -0.0456618100000000, -0.0032781000000000 ] - [ 0.0410641100000000, -0.0450706200000000, -0.0009914600000000 ] - [ 0.0415194600000000, -0.0456622500000000, -0.0009933800000000 ] - [ 0.0404595700000000, -0.0450723400000000, -0.0032762600000000 ] - [ -0.0421284000000000, 0.0456618100000000, -0.0032781000000000 ] - [ -0.0410641100000000, 0.0450706200000000, -0.0009914600000000 ] - [ -0.0415194600000000, 0.0456622500000000, -0.0009933800000000 ] - [ -0.0404595700000000, 0.0450723400000000, -0.0032762600000000 ] - [ 0.0412466400000000, 0.0452001000000000, 0.0002510000000000 ] - [ 0.0412984500000000, 0.0454366500000000, -0.0001481900000000 ] - [ 0.0412818400000000, 0.0452949300000000, -0.0001478800000000 ] - [ 0.0413274700000000, 0.0455283000000000, 0.0002483100000000 ] - [ -0.0412466400000000, -0.0452001000000000, 0.0002510000000000 ] - [ -0.0412984500000000, -0.0454366500000000, -0.0001481900000000 ] - [ -0.0412818400000000, -0.0452949300000000, -0.0001478800000000 ] - [ -0.0413274700000000, -0.0455283000000000, 0.0002483100000000 ]- atom: 89 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0864363500000000, 0.0370647400000000, 0.0000000000000000 ] - [ 0.0171775200000000, 0.0283277600000000, 0.0005766000000000 ] - [ 0.0160593500000000, 0.0285509900000000, 0.0000000000000000 ] - [ 0.0171775200000000, 0.0283277600000000, -0.0005766000000000 ] - [ -0.0164218500000000, -0.0287663900000000, 0.0000000000000000 ] - [ -0.0160639000000000, -0.0290692100000000, 0.0001201100000000 ] - [ -0.0161064600000000, -0.0289882600000000, 0.0000000000000000 ] - [ -0.0160639000000000, -0.0290692100000000, -0.0001201100000000 ] - [ 0.0161662900000000, -0.0300314800000000, 0.0000000000000000 ] - [ 0.0161722200000000, -0.0285311300000000, -0.0002399600000000 ] - [ 0.0160020400000000, -0.0289003700000000, 0.0000000000000000 ] - [ 0.0161722200000000, -0.0285311300000000, 0.0002399600000000 ] - [ -0.0159390800000000, 0.0290998300000000, 0.0000000000000000 ] - [ -0.0159957200000000, 0.0289826900000000, 0.0000052200000000 ] - [ -0.0160497100000000, 0.0290516300000000, 0.0000000000000000 ] - [ -0.0159957200000000, 0.0289826900000000, -0.0000052200000000 ] - [ -0.0156969100000000, -0.0102806300000000, 0.0000000000000000 ] - [ -0.0163960800000000, 0.0062208400000000, -0.0001619400000000 ] - [ -0.0167333900000000, 0.0051385400000000, 0.0000000000000000 ] - [ -0.0163960800000000, 0.0062208400000000, 0.0001619400000000 ] - [ 0.0161503700000000, -0.0048804500000000, 0.0000000000000000 ] - [ 0.0166986300000000, -0.0051971400000000, -0.0001246800000000 ] - [ 0.0167734800000000, -0.0049398100000000, 0.0000000000000000 ] - [ 0.0166986300000000, -0.0051971400000000, 0.0001246800000000 ] - [ -0.0148215400000000, -0.0065100500000000, 0.0000000000000000 ] - [ -0.0159913200000000, -0.0047286700000000, -0.0002323300000000 ] - [ -0.0167246800000000, -0.0047941700000000, 0.0000000000000000 ] - [ -0.0159913200000000, -0.0047286700000000, 0.0002323300000000 ] - [ 0.0167851900000000, 0.0046867500000000, 0.0000000000000000 ] - [ 0.0169591800000000, 0.0048225300000000, 0.0000889000000000 ] - [ 0.0169118400000000, 0.0049569600000000, 0.0000000000000000 ] - [ 0.0169591800000000, 0.0048225300000000, -0.0000889000000000 ] - [ 0.0372854900000000, 0.0076353400000000, 0.0192170400000000 ] - [ 0.0372854900000000, 0.0076353400000000, -0.0192170400000000 ] - [ 0.0038045300000000, -0.0046829900000000, 0.0004775500000000 ] - [ 0.0038045300000000, -0.0046829900000000, -0.0004775500000000 ] - [ -0.0038701300000000, 0.0046749200000000, 0.0005422400000000 ] - [ -0.0038701300000000, 0.0046749200000000, -0.0005422400000000 ] - [ -0.0030714500000000, 0.0044242500000000, 0.0000887700000000 ] - [ -0.0030714500000000, 0.0044242500000000, -0.0000887700000000 ] - [ -0.0037600500000000, 0.0049169700000000, -0.0003557800000000 ] - [ -0.0037600500000000, 0.0049169700000000, 0.0003557800000000 ] - [ -0.0039992300000000, 0.0050195300000000, 0.0000230900000000 ] - [ -0.0039992300000000, 0.0050195300000000, -0.0000230900000000 ] - [ 0.0044128400000000, -0.0054258400000000, 0.0000932500000000 ] - [ 0.0044128400000000, -0.0054258400000000, -0.0000932500000000 ] - [ 0.0041277600000000, -0.0051263700000000, 0.0000505100000000 ] - [ 0.0041277600000000, -0.0051263700000000, -0.0000505100000000 ] - [ -0.0029865600000000, -0.0045261800000000, -0.0003542900000000 ] - [ -0.0029865600000000, -0.0045261800000000, 0.0003542900000000 ] - [ -0.0038618500000000, -0.0049078900000000, -0.0000102000000000 ] - [ -0.0038618500000000, -0.0049078900000000, 0.0000102000000000 ] - [ 0.0099920400000000, 0.0085791500000000, -0.0039051000000000 ] - [ 0.0099920400000000, 0.0085791500000000, 0.0039051000000000 ] - [ 0.0039883000000000, 0.0052302000000000, 0.0000634400000000 ] - [ 0.0039883000000000, 0.0052302000000000, -0.0000634400000000 ] - [ -0.0030505700000000, -0.0041121100000000, -0.0000391200000000 ] - [ -0.0030505700000000, -0.0041121100000000, 0.0000391200000000 ] - [ -0.0031131000000000, -0.0044524400000000, 0.0000096600000000 ] - [ -0.0031131000000000, -0.0044524400000000, -0.0000096600000000 ] - [ 0.0042194200000000, 0.0037978900000000, -0.0004057400000000 ] - [ 0.0042194200000000, 0.0037978900000000, 0.0004057400000000 ] - [ 0.0033008600000000, 0.0043304500000000, 0.0000271400000000 ] - [ 0.0033008600000000, 0.0043304500000000, -0.0000271400000000 ] - [ -0.0287941700000000, 0.0037898200000000, -0.0068396600000000 ] - [ -0.0287941700000000, 0.0037898200000000, 0.0068396600000000 ] - [ -0.0361088000000000, 0.0120058200000000, 0.0003283500000000 ] - [ -0.0361088000000000, 0.0120058200000000, -0.0003283500000000 ] - [ 0.0364835200000000, -0.0116204800000000, 0.0000005000000000 ] - [ 0.0364835200000000, -0.0116204800000000, -0.0000005000000000 ] - [ 0.0366118400000000, -0.0118426000000000, 0.0002881200000000 ] - [ 0.0366118400000000, -0.0118426000000000, -0.0002881200000000 ] - [ -0.0364220800000000, -0.0115275300000000, 0.0000476300000000 ] - [ -0.0364220800000000, -0.0115275300000000, -0.0000476300000000 ] - [ -0.0366125600000000, -0.0121508100000000, 0.0001368200000000 ] - [ -0.0366125600000000, -0.0121508100000000, -0.0001368200000000 ] - [ 0.0368049700000000, 0.0121537400000000, -0.0000278600000000 ] - [ 0.0368049700000000, 0.0121537400000000, 0.0000278600000000 ] - [ 0.0366430400000000, 0.0120406000000000, -0.0000477900000000 ] - [ 0.0366430400000000, 0.0120406000000000, 0.0000477900000000 ] - [ 0.0003097900000000, -0.0031838500000000, 0.0008183000000000 ] - [ 0.0003097900000000, -0.0031838500000000, -0.0008183000000000 ] - [ 0.0000203700000000, -0.0000046800000000, 0.0002262100000000 ] - [ 0.0000203700000000, -0.0000046800000000, -0.0002262100000000 ] - [ -0.0004939500000000, -0.0000759500000000, -0.0000410000000000 ] - [ -0.0004939500000000, -0.0000759500000000, 0.0000410000000000 ] - [ 0.0000855300000000, 0.0000944000000000, -0.0000076200000000 ] - [ 0.0000855300000000, 0.0000944000000000, 0.0000076200000000 ] - [ -0.1304982600000000, -0.0395724500000000, 0.0000000000000000 ] - [ 0.0351918100000000, -0.0488920600000000, 0.0004644500000000 ] - [ 0.0397719300000000, -0.0449425300000000, 0.0000000000000000 ] - [ 0.0351918100000000, -0.0488920600000000, -0.0004644500000000 ] - [ -0.0382605200000000, 0.0452991700000000, 0.0000000000000000 ] - [ -0.0408071100000000, 0.0451590500000000, -0.0004122000000000 ] - [ -0.0409922200000000, 0.0451442800000000, 0.0000000000000000 ] - [ -0.0408071100000000, 0.0451590500000000, 0.0004122000000000 ] - [ 0.0419043800000000, 0.0458637700000000, 0.0000000000000000 ] - [ 0.0407565800000000, 0.0452561400000000, -0.0003681500000000 ] - [ 0.0413306300000000, 0.0452682000000000, 0.0000000000000000 ] - [ 0.0407565800000000, 0.0452561400000000, 0.0003681500000000 ] - [ -0.0409820100000000, -0.0459313300000000, 0.0000000000000000 ] - [ -0.0415769000000000, -0.0454312600000000, -0.0000950300000000 ] - [ -0.0412067000000000, -0.0455327300000000, 0.0000000000000000 ] - [ -0.0415769000000000, -0.0454312600000000, 0.0000950300000000 ]- atom: 89 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0510405400000000, 0.0211456100000000, 0.0000000000000000 ] - [ 0.0148433600000000, 0.0297712600000000, -0.0005564400000000 ] - [ 0.0159597900000000, 0.0295380500000000, 0.0000000000000000 ] - [ 0.0148433600000000, 0.0297712600000000, 0.0005564400000000 ] - [ -0.0155995800000000, -0.0293175600000000, 0.0000000000000000 ] - [ -0.0159578800000000, -0.0290377000000000, -0.0001315900000000 ] - [ -0.0159226500000000, -0.0291207900000000, 0.0000000000000000 ] - [ -0.0159578800000000, -0.0290377000000000, 0.0001315900000000 ] - [ 0.0158536000000000, -0.0280710400000000, 0.0000000000000000 ] - [ 0.0158651800000000, -0.0295781800000000, 0.0002382900000000 ] - [ 0.0160278900000000, -0.0292186800000000, 0.0000000000000000 ] - [ 0.0158651800000000, -0.0295781800000000, -0.0002382900000000 ] - [ -0.0160827400000000, 0.0290018900000000, 0.0000000000000000 ] - [ -0.0160272100000000, 0.0291249200000000, -0.0000076700000000 ] - [ -0.0159820800000000, 0.0290591700000000, 0.0000000000000000 ] - [ -0.0160272100000000, 0.0291249200000000, 0.0000076700000000 ] - [ -0.0181982200000000, 0.0202400800000000, 0.0000000000000000 ] - [ -0.0172108300000000, 0.0035444200000000, 0.0001326100000000 ] - [ -0.0169011600000000, 0.0046245800000000, 0.0000000000000000 ] - [ -0.0172108300000000, 0.0035444200000000, -0.0001326100000000 ] - [ 0.0174901600000000, -0.0048909100000000, 0.0000000000000000 ] - [ 0.0169437900000000, -0.0045671800000000, 0.0001209100000000 ] - [ 0.0168706400000000, -0.0048221400000000, 0.0000000000000000 ] - [ 0.0169437900000000, -0.0045671800000000, -0.0001209100000000 ] - [ -0.0188273600000000, -0.0032118400000000, 0.0000000000000000 ] - [ -0.0176514800000000, -0.0050314500000000, 0.0002297200000000 ] - [ -0.0169208000000000, -0.0049685200000000, 0.0000000000000000 ] - [ -0.0176514800000000, -0.0050314500000000, -0.0002297200000000 ] - [ 0.0168564700000000, 0.0050845100000000, 0.0000000000000000 ] - [ 0.0166828500000000, 0.0049466300000000, -0.0000948100000000 ] - [ 0.0167335700000000, 0.0048032200000000, 0.0000000000000000 ] - [ 0.0166828500000000, 0.0049466300000000, 0.0000948100000000 ] - [ -0.0320738200000000, -0.0169688600000000, -0.0201739800000000 ] - [ -0.0320738200000000, -0.0169688600000000, 0.0201739800000000 ] - [ 0.0023373100000000, -0.0042581500000000, -0.0004602500000000 ] - [ 0.0023373100000000, -0.0042581500000000, 0.0004602500000000 ] - [ -0.0022681200000000, 0.0042695900000000, -0.0005517300000000 ] - [ -0.0022681200000000, 0.0042695900000000, 0.0005517300000000 ] - [ -0.0030749900000000, 0.0045149000000000, -0.0000932400000000 ] - [ -0.0030749900000000, 0.0045149000000000, 0.0000932400000000 ] - [ -0.0042631100000000, 0.0049958700000000, 0.0003617300000000 ] - [ -0.0042631100000000, 0.0049958700000000, -0.0003617300000000 ] - [ -0.0040131400000000, 0.0048910300000000, -0.0000204800000000 ] - [ -0.0040131400000000, 0.0048910300000000, 0.0000204800000000 ] - [ 0.0035978900000000, -0.0044878200000000, -0.0001002200000000 ] - [ 0.0035978900000000, -0.0044878200000000, 0.0001002200000000 ] - [ 0.0038802900000000, -0.0047823800000000, -0.0000525600000000 ] - [ 0.0038802900000000, -0.0047823800000000, 0.0000525600000000 ] - [ -0.0050306700000000, -0.0053853200000000, 0.0003655300000000 ] - [ -0.0050306700000000, -0.0053853200000000, -0.0003655300000000 ] - [ -0.0041485400000000, -0.0050085800000000, 0.0000064900000000 ] - [ -0.0041485400000000, -0.0050085800000000, -0.0000064900000000 ] - [ -0.0019540100000000, 0.0013907200000000, 0.0039154400000000 ] - [ -0.0019540100000000, 0.0013907200000000, -0.0039154400000000 ] - [ 0.0040261500000000, 0.0046729500000000, -0.0000562800000000 ] - [ 0.0040261500000000, 0.0046729500000000, 0.0000562800000000 ] - [ -0.0030934800000000, -0.0048423900000000, 0.0000363300000000 ] - [ -0.0030934800000000, -0.0048423900000000, -0.0000363300000000 ] - [ -0.0030345900000000, -0.0044853300000000, -0.0000119600000000 ] - [ -0.0030345900000000, -0.0044853300000000, 0.0000119600000000 ] - [ 0.0019794600000000, 0.0050716100000000, 0.0003988700000000 ] - [ 0.0019794600000000, 0.0050716100000000, -0.0003988700000000 ] - [ 0.0028424000000000, 0.0046111500000000, -0.0000285600000000 ] - [ 0.0028424000000000, 0.0046111500000000, 0.0000285600000000 ] - [ -0.0444880600000000, 0.0199842100000000, 0.0065026400000000 ] - [ -0.0444880600000000, 0.0199842100000000, -0.0065026400000000 ] - [ -0.0373468500000000, 0.0119252400000000, -0.0003206900000000 ] - [ -0.0373468500000000, 0.0119252400000000, 0.0003206900000000 ] - [ 0.0369709100000000, -0.0123213400000000, -0.0000002900000000 ] - [ 0.0369709100000000, -0.0123213400000000, 0.0000002900000000 ] - [ 0.0368447600000000, -0.0120993700000000, -0.0002929600000000 ] - [ 0.0368447600000000, -0.0120993700000000, 0.0002929600000000 ] - [ -0.0370457900000000, -0.0124173900000000, -0.0000930800000000 ] - [ -0.0370457900000000, -0.0124173900000000, 0.0000930800000000 ] - [ -0.0368478400000000, -0.0117898800000000, -0.0001419000000000 ] - [ -0.0368478400000000, -0.0117898800000000, 0.0001419000000000 ] - [ 0.0366500400000000, 0.0117864500000000, 0.0000246500000000 ] - [ 0.0366500400000000, 0.0117864500000000, -0.0000246500000000 ] - [ 0.0368135200000000, 0.0119051400000000, 0.0000483500000000 ] - [ 0.0368135200000000, 0.0119051400000000, -0.0000483500000000 ] - [ -0.0003461300000000, 0.0032081900000000, -0.0008492900000000 ] - [ -0.0003461300000000, 0.0032081900000000, 0.0008492900000000 ] - [ -0.0000214800000000, 0.0000037800000000, -0.0002297600000000 ] - [ -0.0000214800000000, 0.0000037800000000, 0.0002297600000000 ] - [ 0.0005293900000000, 0.0000765300000000, 0.0000389100000000 ] - [ 0.0005293900000000, 0.0000765300000000, -0.0000389100000000 ] - [ -0.0000872600000000, -0.0000938600000000, 0.0000074000000000 ] - [ -0.0000872600000000, -0.0000938600000000, -0.0000074000000000 ] - [ 0.2114025400000000, -0.0504676500000000, 0.0000000000000000 ] - [ 0.0473784300000000, -0.0417443500000000, -0.0005669800000000 ] - [ 0.0428060600000000, -0.0457778800000000, 0.0000000000000000 ] - [ 0.0473784300000000, -0.0417443500000000, 0.0005669800000000 ] - [ -0.0443434500000000, 0.0454131300000000, 0.0000000000000000 ] - [ -0.0417781500000000, 0.0455813000000000, 0.0004138100000000 ] - [ -0.0415828800000000, 0.0455884100000000, 0.0000000000000000 ] - [ -0.0417781500000000, 0.0455813000000000, -0.0004138100000000 ] - [ 0.0406601600000000, 0.0448412600000000, 0.0000000000000000 ] - [ 0.0418090400000000, 0.0454528700000000, 0.0003616400000000 ] - [ 0.0412502100000000, 0.0454542300000000, 0.0000000000000000 ] - [ 0.0418090400000000, 0.0454528700000000, -0.0003616400000000 ] - [ -0.0416067200000000, -0.0447928300000000, 0.0000000000000000 ] - [ -0.0409981600000000, -0.0453024300000000, 0.0000854900000000 ] - [ -0.0413693400000000, -0.0451878500000000, 0.0000000000000000 ] - [ -0.0409981600000000, -0.0453024300000000, -0.0000854900000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0114054900000000, 0.0290638900000000, 0.0000000000000000 ] - [ 0.0176836200000000, 0.0299747000000000, 0.0004425000000000 ] - [ 0.0162636700000000, 0.0291021400000000, 0.0000000000000000 ] - [ 0.0176836200000000, 0.0299747000000000, -0.0004425000000000 ] - [ -0.0158384000000000, -0.0300235200000000, 0.0000000000000000 ] - [ -0.0161222800000000, -0.0291876300000000, -0.0000303700000000 ] - [ -0.0159128600000000, -0.0290605000000000, 0.0000000000000000 ] - [ -0.0161222800000000, -0.0291876300000000, 0.0000303700000000 ] - [ 0.0158412200000000, -0.0301833700000000, 0.0000000000000000 ] - [ 0.0158729800000000, -0.0290121800000000, 0.0000040500000000 ] - [ 0.0161287200000000, -0.0289044000000000, 0.0000000000000000 ] - [ 0.0158729800000000, -0.0290121800000000, -0.0000040500000000 ] - [ -0.0160713800000000, 0.0290021200000000, 0.0000000000000000 ] - [ -0.0161326200000000, 0.0289672700000000, -0.0000412900000000 ] - [ -0.0160012000000000, 0.0289946900000000, 0.0000000000000000 ] - [ -0.0161326200000000, 0.0289672700000000, 0.0000412900000000 ] - [ -0.0188389400000000, 0.0741750400000000, 0.0000000000000000 ] - [ -0.0177876700000000, 0.0065703300000000, -0.0006112000000000 ] - [ -0.0173558600000000, 0.0050604300000000, 0.0000000000000000 ] - [ -0.0177876700000000, 0.0065703300000000, 0.0006112000000000 ] - [ 0.0169000600000000, -0.0053242600000000, 0.0000000000000000 ] - [ 0.0167841700000000, -0.0048267400000000, -0.0002546600000000 ] - [ 0.0167855000000000, -0.0049605200000000, 0.0000000000000000 ] - [ 0.0167841700000000, -0.0048267400000000, 0.0002546600000000 ] - [ -0.0171077100000000, -0.0048693800000000, 0.0000000000000000 ] - [ -0.0166794500000000, -0.0048086800000000, -0.0001075400000000 ] - [ -0.0168852400000000, -0.0047350600000000, 0.0000000000000000 ] - [ -0.0166794500000000, -0.0048086800000000, 0.0001075400000000 ] - [ 0.0163835100000000, 0.0044539800000000, 0.0000000000000000 ] - [ 0.0167570700000000, 0.0053380800000000, 0.0000649400000000 ] - [ 0.0167342300000000, 0.0050182700000000, 0.0000000000000000 ] - [ 0.0167570700000000, 0.0053380800000000, -0.0000649400000000 ] - [ 0.0115739100000000, 0.0036439500000000, 0.0069454400000000 ] - [ 0.0115739100000000, 0.0036439500000000, -0.0069454400000000 ] - [ 0.0036907500000000, -0.0042397800000000, -0.0001142200000000 ] - [ 0.0036907500000000, -0.0042397800000000, 0.0001142200000000 ] - [ -0.0033368600000000, 0.0054264900000000, 0.0000597700000000 ] - [ -0.0033368600000000, 0.0054264900000000, -0.0000597700000000 ] - [ -0.0030083600000000, 0.0046035200000000, -0.0000323500000000 ] - [ -0.0030083600000000, 0.0046035200000000, 0.0000323500000000 ] - [ -0.0042923700000000, 0.0056810500000000, 0.0006738600000000 ] - [ -0.0042923700000000, 0.0056810500000000, -0.0006738600000000 ] - [ -0.0040210900000000, 0.0048771200000000, -0.0001103800000000 ] - [ -0.0040210900000000, 0.0048771200000000, 0.0001103800000000 ] - [ 0.0041440400000000, -0.0055638000000000, -0.0003330400000000 ] - [ 0.0041440400000000, -0.0055638000000000, 0.0003330400000000 ] - [ 0.0039139200000000, -0.0049217900000000, 0.0000965600000000 ] - [ 0.0039139200000000, -0.0049217900000000, -0.0000965600000000 ] - [ -0.0028451100000000, -0.0057375200000000, -0.0008518000000000 ] - [ -0.0028451100000000, -0.0057375200000000, 0.0008518000000000 ] - [ -0.0041252800000000, -0.0050116800000000, -0.0001507000000000 ] - [ -0.0041252800000000, -0.0050116800000000, 0.0001507000000000 ] - [ 0.0102505800000000, 0.0441633100000000, -0.0204794900000000 ] - [ 0.0102505800000000, 0.0441633100000000, 0.0204794900000000 ] - [ 0.0037986600000000, 0.0058741500000000, -0.0006456600000000 ] - [ 0.0037986600000000, 0.0058741500000000, 0.0006456600000000 ] - [ -0.0029815700000000, -0.0046964800000000, 0.0001707100000000 ] - [ -0.0029815700000000, -0.0046964800000000, -0.0001707100000000 ] - [ -0.0029370000000000, -0.0044713500000000, -0.0000013200000000 ] - [ -0.0029370000000000, -0.0044713500000000, 0.0000013200000000 ] - [ 0.0031739800000000, 0.0047511400000000, -0.0001500500000000 ] - [ 0.0031739800000000, 0.0047511400000000, 0.0001500500000000 ] - [ 0.0028402500000000, 0.0046144500000000, -0.0000058900000000 ] - [ 0.0028402500000000, 0.0046144500000000, 0.0000058900000000 ] - [ -0.0451312300000000, 0.0172121100000000, 0.0056722200000000 ] - [ -0.0451312300000000, 0.0172121100000000, -0.0056722200000000 ] - [ -0.0367475200000000, 0.0125820200000000, -0.0004287800000000 ] - [ -0.0367475200000000, 0.0125820200000000, 0.0004287800000000 ] - [ 0.0369975200000000, -0.0120606500000000, -0.0000480000000000 ] - [ 0.0369975200000000, -0.0120606500000000, 0.0000480000000000 ] - [ 0.0368655600000000, -0.0120044600000000, 0.0000026700000000 ] - [ 0.0368655600000000, -0.0120044600000000, -0.0000026700000000 ] - [ -0.0366753100000000, -0.0118112700000000, 0.0001950400000000 ] - [ -0.0366753100000000, -0.0118112700000000, -0.0001950400000000 ] - [ -0.0366737000000000, -0.0120623800000000, 0.0000729700000000 ] - [ -0.0366737000000000, -0.0120623800000000, -0.0000729700000000 ] - [ 0.0366198100000000, 0.0120987900000000, 0.0000213300000000 ] - [ 0.0366198100000000, 0.0120987900000000, -0.0000213300000000 ] - [ 0.0367198000000000, 0.0119137400000000, -0.0000009600000000 ] - [ 0.0367198000000000, 0.0119137400000000, 0.0000009600000000 ] - [ -0.0037985400000000, -0.0001668100000000, -0.0003005200000000 ] - [ -0.0037985400000000, -0.0001668100000000, 0.0003005200000000 ] - [ 0.0000045300000000, 0.0000492000000000, -0.0002996400000000 ] - [ 0.0000045300000000, 0.0000492000000000, 0.0002996400000000 ] - [ 0.0003049300000000, 0.0002574500000000, 0.0001641400000000 ] - [ 0.0003049300000000, 0.0002574500000000, -0.0001641400000000 ] - [ -0.0000883800000000, -0.0000213400000000, 0.0000710800000000 ] - [ -0.0000883800000000, -0.0000213400000000, -0.0000710800000000 ] - [ 0.0464392000000000, -0.2142249000000000, 0.0000000000000000 ] - [ 0.0376904100000000, -0.0550103700000000, 0.0013248600000000 ] - [ 0.0417029000000000, -0.0470640500000000, 0.0000000000000000 ] - [ 0.0376904100000000, -0.0550103700000000, -0.0013248600000000 ] - [ -0.0413359800000000, 0.0488220600000000, 0.0000000000000000 ] - [ -0.0414980100000000, 0.0456664500000000, 0.0005507200000000 ] - [ -0.0415043300000000, 0.0454548900000000, 0.0000000000000000 ] - [ -0.0414980100000000, 0.0456664500000000, -0.0005507200000000 ] - [ 0.0407801700000000, 0.0477043100000000, 0.0000000000000000 ] - [ 0.0413805200000000, 0.0453740300000000, -0.0009240900000000 ] - [ 0.0413798800000000, 0.0451872300000000, 0.0000000000000000 ] - [ 0.0413805200000000, 0.0453740300000000, 0.0009240900000000 ] - [ -0.0407085400000000, -0.0450541000000000, 0.0000000000000000 ] - [ -0.0412184600000000, -0.0451438400000000, 0.0003283500000000 ] - [ -0.0411165300000000, -0.0453961900000000, 0.0000000000000000 ] - [ -0.0412184600000000, -0.0451438400000000, -0.0003283500000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0203470800000000, 0.0292076200000000, 0.0000000000000000 ] - [ 0.0143407000000000, 0.0281104900000000, -0.0004750600000000 ] - [ 0.0157621100000000, 0.0290140900000000, 0.0000000000000000 ] - [ 0.0143407000000000, 0.0281104900000000, 0.0004750600000000 ] - [ -0.0161843400000000, -0.0280885300000000, 0.0000000000000000 ] - [ -0.0159029300000000, -0.0289293600000000, 0.0000273300000000 ] - [ -0.0161180100000000, -0.0290530100000000, 0.0000000000000000 ] - [ -0.0159029300000000, -0.0289293600000000, -0.0000273300000000 ] - [ 0.0161694500000000, -0.0279506800000000, 0.0000000000000000 ] - [ 0.0161671000000000, -0.0290987000000000, -0.0000044700000000 ] - [ 0.0159184100000000, -0.0292115800000000, 0.0000000000000000 ] - [ 0.0161671000000000, -0.0290987000000000, 0.0000044700000000 ] - [ -0.0159694100000000, 0.0290981400000000, 0.0000000000000000 ] - [ -0.0159038900000000, 0.0291398000000000, 0.0000400200000000 ] - [ -0.0160424900000000, 0.0291199600000000, 0.0000000000000000 ] - [ -0.0159038900000000, 0.0291398000000000, -0.0000400200000000 ] - [ -0.0144063700000000, -0.0677623700000000, 0.0000000000000000 ] - [ -0.0158487800000000, 0.0032050700000000, 0.0006329300000000 ] - [ -0.0162704000000000, 0.0047056900000000, 0.0000000000000000 ] - [ -0.0158487800000000, 0.0032050700000000, -0.0006329300000000 ] - [ 0.0167384800000000, -0.0044408600000000, 0.0000000000000000 ] - [ 0.0168602700000000, -0.0049428200000000, 0.0002463200000000 ] - [ 0.0168565800000000, -0.0047993800000000, 0.0000000000000000 ] - [ 0.0168602700000000, -0.0049428200000000, -0.0002463200000000 ] - [ -0.0165510400000000, -0.0048670300000000, 0.0000000000000000 ] - [ -0.0169604900000000, -0.0049435500000000, 0.0001079300000000 ] - [ -0.0167559000000000, -0.0050122500000000, 0.0000000000000000 ] - [ -0.0169604900000000, -0.0049435500000000, -0.0001079300000000 ] - [ 0.0172520300000000, 0.0052937100000000, 0.0000000000000000 ] - [ 0.0168806300000000, 0.0044078600000000, -0.0000693100000000 ] - [ 0.0169105700000000, 0.0047304200000000, 0.0000000000000000 ] - [ 0.0168806300000000, 0.0044078600000000, 0.0000693100000000 ] - [ -0.0055187500000000, -0.0126503500000000, -0.0069655300000000 ] - [ -0.0055187500000000, -0.0126503500000000, 0.0069655300000000 ] - [ 0.0024662300000000, -0.0047017700000000, 0.0001137900000000 ] - [ 0.0024662300000000, -0.0047017700000000, -0.0001137900000000 ] - [ -0.0028244600000000, 0.0035237900000000, -0.0000527700000000 ] - [ -0.0028244600000000, 0.0035237900000000, 0.0000527700000000 ] - [ -0.0031395900000000, 0.0043373700000000, 0.0000304400000000 ] - [ -0.0031395900000000, 0.0043373700000000, -0.0000304400000000 ] - [ -0.0037428700000000, 0.0042475100000000, -0.0006606800000000 ] - [ -0.0037428700000000, 0.0042475100000000, 0.0006606800000000 ] - [ -0.0039956700000000, 0.0050495600000000, 0.0001091300000000 ] - [ -0.0039956700000000, 0.0050495600000000, -0.0001091300000000 ] - [ 0.0038730000000000, -0.0043859200000000, 0.0003255300000000 ] - [ 0.0038730000000000, -0.0043859200000000, -0.0003255300000000 ] - [ 0.0041009100000000, -0.0050028000000000, -0.0000925600000000 ] - [ 0.0041009100000000, -0.0050028000000000, 0.0000925600000000 ] - [ -0.0051537000000000, -0.0041910300000000, 0.0008388700000000 ] - [ -0.0051537000000000, -0.0041910300000000, -0.0008388700000000 ] - [ -0.0038918600000000, -0.0049072400000000, 0.0001480800000000 ] - [ -0.0038918600000000, -0.0049072400000000, -0.0001480800000000 ] - [ -0.0020661200000000, -0.0332767300000000, 0.0194429700000000 ] - [ -0.0020661200000000, -0.0332767300000000, -0.0194429700000000 ] - [ 0.0042234200000000, 0.0040492100000000, 0.0006566900000000 ] - [ 0.0042234200000000, 0.0040492100000000, -0.0006566900000000 ] - [ -0.0031482300000000, -0.0042649600000000, -0.0001735200000000 ] - [ -0.0031482300000000, -0.0042649600000000, 0.0001735200000000 ] - [ -0.0031960200000000, -0.0044737600000000, -0.0000020600000000 ] - [ -0.0031960200000000, -0.0044737600000000, 0.0000020600000000 ] - [ 0.0030321200000000, 0.0041225100000000, 0.0001460000000000 ] - [ 0.0030321200000000, 0.0041225100000000, -0.0001460000000000 ] - [ 0.0032953900000000, 0.0043275200000000, 0.0000089700000000 ] - [ 0.0032953900000000, 0.0043275200000000, -0.0000089700000000 ] - [ -0.0281652000000000, 0.0066562400000000, -0.0059876100000000 ] - [ -0.0281652000000000, 0.0066562400000000, 0.0059876100000000 ] - [ -0.0367099600000000, 0.0113563900000000, 0.0004300000000000 ] - [ -0.0367099600000000, 0.0113563900000000, -0.0004300000000000 ] - [ 0.0364503000000000, -0.0118734500000000, 0.0000530900000000 ] - [ 0.0364503000000000, -0.0118734500000000, -0.0000530900000000 ] - [ 0.0365916200000000, -0.0119366400000000, -0.0000022500000000 ] - [ 0.0365916200000000, -0.0119366400000000, 0.0000022500000000 ] - [ -0.0367906900000000, -0.0121130200000000, -0.0002234000000000 ] - [ -0.0367906900000000, -0.0121130200000000, 0.0002234000000000 ] - [ -0.0367800700000000, -0.0118772300000000, -0.0000716100000000 ] - [ -0.0367800700000000, -0.0118772300000000, 0.0000716100000000 ] - [ 0.0368243800000000, 0.0118332100000000, -0.0000219600000000 ] - [ 0.0368243800000000, 0.0118332100000000, 0.0000219600000000 ] - [ 0.0367294400000000, 0.0120227000000000, 0.0000024100000000 ] - [ 0.0367294400000000, 0.0120227000000000, -0.0000024100000000 ] - [ 0.0037666500000000, 0.0002193000000000, 0.0002873000000000 ] - [ 0.0037666500000000, 0.0002193000000000, -0.0002873000000000 ] - [ -0.0000003300000000, -0.0000519700000000, 0.0002926500000000 ] - [ -0.0000003300000000, -0.0000519700000000, -0.0002926500000000 ] - [ -0.0002719600000000, -0.0002545600000000, -0.0001639100000000 ] - [ -0.0002719600000000, -0.0002545600000000, 0.0001639100000000 ] - [ 0.0000850300000000, 0.0000216800000000, -0.0000704000000000 ] - [ 0.0000850300000000, 0.0000216800000000, 0.0000704000000000 ] - [ 0.0355405800000000, 0.1252162900000000, 0.0000000000000000 ] - [ 0.0448437200000000, -0.0357702600000000, -0.0013477600000000 ] - [ 0.0408750100000000, -0.0436713300000000, 0.0000000000000000 ] - [ 0.0448437200000000, -0.0357702600000000, 0.0013477600000000 ] - [ -0.0412291700000000, 0.0419384500000000, 0.0000000000000000 ] - [ -0.0410828400000000, 0.0450725800000000, -0.0005457100000000 ] - [ -0.0410675900000000, 0.0452763600000000, 0.0000000000000000 ] - [ -0.0410828400000000, 0.0450725800000000, 0.0005457100000000 ] - [ 0.0418009900000000, 0.0430442700000000, 0.0000000000000000 ] - [ 0.0411819800000000, 0.0453548900000000, 0.0008751900000000 ] - [ 0.0411919800000000, 0.0455348600000000, 0.0000000000000000 ] - [ 0.0411819800000000, 0.0453548900000000, -0.0008751900000000 ] - [ -0.0418500700000000, -0.0456561200000000, 0.0000000000000000 ] - [ -0.0413476200000000, -0.0455815000000000, -0.0003323300000000 ] - [ -0.0414601500000000, -0.0453268500000000, 0.0000000000000000 ] - [ -0.0413476200000000, -0.0455815000000000, 0.0003323300000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0161576800000000, 0.0290257100000000, 0.0044148900000000 ] - [ 0.0163819400000000, 0.0302536600000000, 0.0001167100000000 ] - [ 0.0160153000000000, 0.0290547500000000, -0.0006244200000000 ] - [ 0.0156782100000000, 0.0278841700000000, 0.0001010600000000 ] - [ -0.0160174000000000, -0.0290586300000000, 0.0003120800000000 ] - [ -0.0161548500000000, -0.0292587400000000, 0.0000400000000000 ] - [ -0.0160200500000000, -0.0290608900000000, -0.0001051600000000 ] - [ -0.0158800600000000, -0.0288602600000000, 0.0000451900000000 ] - [ 0.0160315700000000, -0.0290498300000000, 0.0000842400000000 ] - [ 0.0163043600000000, -0.0294096400000000, 0.0002293100000000 ] - [ 0.0160270800000000, -0.0290557700000000, -0.0005524200000000 ] - [ 0.0157492200000000, -0.0287062900000000, 0.0002180500000000 ] - [ -0.0160255400000000, 0.0290490500000000, 0.0000923900000000 ] - [ -0.0161470500000000, 0.0292588800000000, 0.0000677500000000 ] - [ -0.0160255400000000, 0.0290544300000000, -0.0002782900000000 ] - [ -0.0158951800000000, 0.0288436100000000, 0.0000733100000000 ] - [ -0.0167800000000000, 0.0047316500000000, 0.0053029500000000 ] - [ -0.0183642200000000, 0.0044078000000000, -0.0001638300000000 ] - [ -0.0168144400000000, 0.0048827100000000, -0.0005661100000000 ] - [ -0.0152926500000000, 0.0053364600000000, -0.0001808600000000 ] - [ 0.0168182200000000, -0.0048844500000000, 0.0004855100000000 ] - [ 0.0170485300000000, -0.0046503600000000, 0.0000292600000000 ] - [ 0.0168214800000000, -0.0048787300000000, -0.0002671800000000 ] - [ 0.0165917700000000, -0.0051113900000000, 0.0000355000000000 ] - [ -0.0168286600000000, -0.0048458100000000, -0.0003550800000000 ] - [ -0.0173566900000000, -0.0046509400000000, 0.0002209000000000 ] - [ -0.0168180600000000, -0.0048662500000000, -0.0000773000000000 ] - [ -0.0162823300000000, -0.0050831300000000, 0.0002194000000000 ] - [ 0.0168190600000000, 0.0048637200000000, -0.0002765400000000 ] - [ 0.0172773000000000, 0.0051709700000000, 0.0003212700000000 ] - [ 0.0168186500000000, 0.0048689300000000, -0.0000418200000000 ] - [ 0.0163592500000000, 0.0045738200000000, 0.0003217600000000 ] - [ 0.0310510000000000, 0.0081830000000000, 0.0299830300000000 ] - [ -0.0258565800000000, -0.0175652600000000, 0.0306276900000000 ] - [ 0.0037561800000000, -0.0045496800000000, 0.0000807800000000 ] - [ 0.0023950200000000, -0.0043947100000000, 0.0000763800000000 ] - [ -0.0029214800000000, 0.0045610100000000, 0.0008156700000000 ] - [ -0.0032216400000000, 0.0043820400000000, 0.0008161300000000 ] - [ -0.0031770800000000, 0.0045175200000000, -0.0000078300000000 ] - [ -0.0029683000000000, 0.0044254100000000, -0.0000042500000000 ] - [ -0.0046605900000000, 0.0049656200000000, -0.0001697700000000 ] - [ -0.0033693900000000, 0.0049715500000000, -0.0001924800000000 ] - [ -0.0040829700000000, 0.0048585400000000, -0.0000897700000000 ] - [ -0.0039398000000000, 0.0050805500000000, -0.0000881900000000 ] - [ 0.0040621100000000, -0.0057007300000000, 0.0003821100000000 ] - [ 0.0039584700000000, -0.0042520300000000, 0.0003898000000000 ] - [ 0.0038635900000000, -0.0046442000000000, -0.0003698800000000 ] - [ 0.0041564800000000, -0.0052973600000000, -0.0003671700000000 ] - [ -0.0048144700000000, -0.0047475700000000, 0.0010559100000000 ] - [ -0.0031986100000000, -0.0051929200000000, 0.0010544100000000 ] - [ -0.0040668500000000, -0.0049475400000000, 0.0000661000000000 ] - [ -0.0039598300000000, -0.0049810400000000, 0.0000706200000000 ] - [ -0.0041374600000000, -0.0247606900000000, 0.0287367800000000 ] - [ 0.0123972400000000, 0.0356897100000000, 0.0294272000000000 ] - [ 0.0043359100000000, 0.0047179300000000, -0.0002203400000000 ] - [ 0.0036906900000000, 0.0052053100000000, -0.0002239200000000 ] - [ -0.0030008100000000, -0.0051170500000000, 0.0000094900000000 ] - [ -0.0031161900000000, -0.0038416500000000, 0.0000085800000000 ] - [ -0.0029959800000000, -0.0044605400000000, -0.0000221000000000 ] - [ -0.0031273600000000, -0.0044861500000000, -0.0000189200000000 ] - [ 0.0041013000000000, 0.0034804900000000, 0.0007141700000000 ] - [ 0.0020406300000000, 0.0054369400000000, 0.0007105800000000 ] - [ 0.0029748100000000, 0.0044570900000000, -0.0001843200000000 ] - [ 0.0031438500000000, 0.0044896800000000, -0.0001838600000000 ] - [ -0.0470690800000000, 0.0213134700000000, 0.0097827500000000 ] - [ -0.0263524800000000, 0.0026041300000000, 0.0099464700000000 ] - [ -0.0368999000000000, 0.0122763500000000, -0.0010624400000000 ] - [ -0.0365568300000000, 0.0116547600000000, -0.0010439100000000 ] - [ 0.0365630600000000, -0.0120624400000000, 0.0000777800000000 ] - [ 0.0368940800000000, -0.0118722000000000, 0.0000791200000000 ] - [ 0.0367569200000000, -0.0120187200000000, -0.0000759600000000 ] - [ 0.0367024400000000, -0.0119159700000000, -0.0000746700000000 ] - [ -0.0366163500000000, -0.0105377400000000, -0.0001146700000000 ] - [ -0.0368257500000000, -0.0133993400000000, -0.0000900400000000 ] - [ -0.0366022400000000, -0.0117651500000000, 0.0000272800000000 ] - [ -0.0368460200000000, -0.0121613900000000, 0.0000319000000000 ] - [ 0.0367547000000000, 0.0118413600000000, -0.0001077100000000 ] - [ 0.0366831100000000, 0.0120839100000000, -0.0001079300000000 ] - [ 0.0367827200000000, 0.0119747500000000, 0.0000465700000000 ] - [ 0.0366584400000000, 0.0119545100000000, 0.0000470400000000 ] - [ -0.0024205800000000, 0.0021287100000000, -0.0032798600000000 ] - [ 0.0024268800000000, -0.0021365100000000, -0.0032754500000000 ] - [ 0.0003235600000000, -0.0003821800000000, -0.0009938000000000 ] - [ -0.0003119400000000, 0.0003697600000000, -0.0009925600000000 ] - [ 0.0013045200000000, 0.0001698500000000, 0.0002503500000000 ] - [ -0.0012926600000000, -0.0001622800000000, 0.0002488800000000 ] - [ -0.0001391100000000, -0.0000283400000000, -0.0001482800000000 ] - [ 0.0001371500000000, 0.0000278700000000, -0.0001493800000000 ] - [ 0.0417456300000000, -0.0456779700000000, -0.1608598700000000 ] - [ 0.0407726800000000, -0.0467115100000000, 0.0095920600000000 ] - [ 0.0412703600000000, -0.0453531800000000, 0.0018673500000000 ] - [ 0.0418074700000000, -0.0440391800000000, 0.0093810400000000 ] - [ -0.0412895400000000, 0.0453770600000000, -0.0047031700000000 ] - [ -0.0416997000000000, 0.0459186800000000, 0.0009102600000000 ] - [ -0.0412852100000000, 0.0453688400000000, 0.0008504600000000 ] - [ -0.0408714200000000, 0.0448228000000000, 0.0009046100000000 ] - [ 0.0412712600000000, 0.0453780500000000, -0.0043560100000000 ] - [ 0.0416473800000000, 0.0444608500000000, 0.0018377300000000 ] - [ 0.0412867600000000, 0.0453639600000000, 0.0009573800000000 ] - [ 0.0409165200000000, 0.0462600700000000, 0.0018386500000000 ] - [ -0.0412869000000000, -0.0453493400000000, -0.0007241400000000 ] - [ -0.0413746600000000, -0.0456937800000000, 0.0004707200000000 ] - [ -0.0412839500000000, -0.0453634000000000, 0.0004140200000000 ] - [ -0.0411900800000000, -0.0450316000000000, 0.0004722400000000 ]