# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b661ed1f-2bc7-43f8-ba81-b02d6c925320/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 Rb2AgBr3 / Pnma (62) / materials id 567714](https://mdr.nims.go.jp/datasets/ae63ff36-be5a-48e2-b429-ff28ff4c0464) ## 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: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 9.532562280000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.601927860000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 18.532927290000000 ] # c points: - symbol: Rb # 1 coordinates: [ 0.421824560000000, 0.750000000000000, 0.787473560000000 ] mass: 85.467800 - symbol: Rb # 2 coordinates: [ 0.750499910000000, 0.750000000000000, 0.458359780000000 ] mass: 85.467800 - symbol: Rb # 3 coordinates: [ 0.921824560000000, 0.750000000000000, 0.712526440000000 ] mass: 85.467800 - symbol: Rb # 4 coordinates: [ 0.078175440000000, 0.250000000000000, 0.287473560000000 ] mass: 85.467800 - symbol: Rb # 5 coordinates: [ 0.249500090000000, 0.250000000000000, 0.541640220000000 ] mass: 85.467800 - symbol: Rb # 6 coordinates: [ 0.250499910000000, 0.750000000000000, 0.041640220000000 ] mass: 85.467800 - symbol: Rb # 7 coordinates: [ 0.749500090000000, 0.250000000000000, 0.958359780000000 ] mass: 85.467800 - symbol: Rb # 8 coordinates: [ 0.578175440000000, 0.250000000000000, 0.212526440000000 ] mass: 85.467800 - symbol: Ag # 9 coordinates: [ 0.631308230000000, 0.250000000000000, 0.634715360000000 ] mass: 107.868200 - symbol: Ag # 10 coordinates: [ 0.868691770000000, 0.750000000000000, 0.134715360000000 ] mass: 107.868200 - symbol: Ag # 11 coordinates: [ 0.368691770000000, 0.750000000000000, 0.365284640000000 ] mass: 107.868200 - symbol: Ag # 12 coordinates: [ 0.131308230000000, 0.250000000000000, 0.865284640000000 ] mass: 107.868200 - symbol: Br # 13 coordinates: [ 0.618105090000000, 0.750000000000000, 0.071934930000000 ] mass: 79.904000 - symbol: Br # 14 coordinates: [ 0.686472470000000, 0.250000000000000, 0.775777400000000 ] mass: 79.904000 - symbol: Br # 15 coordinates: [ 0.881894910000000, 0.250000000000000, 0.571934930000000 ] mass: 79.904000 - symbol: Br # 16 coordinates: [ 0.498628210000000, 0.250000000000000, 0.399661950000000 ] mass: 79.904000 - symbol: Br # 17 coordinates: [ 0.001371790000000, 0.750000000000000, 0.899661950000000 ] mass: 79.904000 - symbol: Br # 18 coordinates: [ 0.813527530000000, 0.750000000000000, 0.275777400000000 ] mass: 79.904000 - symbol: Br # 19 coordinates: [ 0.998628210000000, 0.250000000000000, 0.100338050000000 ] mass: 79.904000 - symbol: Br # 20 coordinates: [ 0.501371790000000, 0.750000000000000, 0.600338050000000 ] mass: 79.904000 - symbol: Br # 21 coordinates: [ 0.381894910000000, 0.250000000000000, 0.928065070000000 ] mass: 79.904000 - symbol: Br # 22 coordinates: [ 0.186472470000000, 0.250000000000000, 0.724222600000000 ] mass: 79.904000 - symbol: Br # 23 coordinates: [ 0.118105090000000, 0.750000000000000, 0.428065070000000 ] mass: 79.904000 - symbol: Br # 24 coordinates: [ 0.313527530000000, 0.750000000000000, 0.224222600000000 ] mass: 79.904000 reciprocal_lattice: # without 2pi - [ 0.104903589468077, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.217300233819832, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.053958016688469 ] # c*unit_cell: lattice: - [ 9.532562280000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.601927860000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 18.532927290000000 ] # c points: - symbol: Rb # 1 coordinates: [ 0.421824560000000, 0.750000000000000, 0.787473560000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 2 coordinates: [ 0.750499910000000, 0.750000000000000, 0.458359780000000 ] mass: 85.467800 reduced_to: 2 - symbol: Rb # 3 coordinates: [ 0.921824560000000, 0.750000000000000, 0.712526440000000 ] mass: 85.467800 reduced_to: 3 - symbol: Rb # 4 coordinates: [ 0.078175440000000, 0.250000000000000, 0.287473560000000 ] mass: 85.467800 reduced_to: 4 - symbol: Rb # 5 coordinates: [ 0.249500090000000, 0.250000000000000, 0.541640220000000 ] mass: 85.467800 reduced_to: 5 - symbol: Rb # 6 coordinates: [ 0.250499910000000, 0.750000000000000, 0.041640220000000 ] mass: 85.467800 reduced_to: 6 - symbol: Rb # 7 coordinates: [ 0.749500090000000, 0.250000000000000, 0.958359780000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 8 coordinates: [ 0.578175440000000, 0.250000000000000, 0.212526440000000 ] mass: 85.467800 reduced_to: 8 - symbol: Ag # 9 coordinates: [ 0.631308230000000, 0.250000000000000, 0.634715360000000 ] mass: 107.868200 reduced_to: 9 - symbol: Ag # 10 coordinates: [ 0.868691770000000, 0.750000000000000, 0.134715360000000 ] mass: 107.868200 reduced_to: 10 - symbol: Ag # 11 coordinates: [ 0.368691770000000, 0.750000000000000, 0.365284640000000 ] mass: 107.868200 reduced_to: 11 - symbol: Ag # 12 coordinates: [ 0.131308230000000, 0.250000000000000, 0.865284640000000 ] mass: 107.868200 reduced_to: 12 - symbol: Br # 13 coordinates: [ 0.618105090000000, 0.750000000000000, 0.071934930000000 ] mass: 79.904000 reduced_to: 13 - symbol: Br # 14 coordinates: [ 0.686472470000000, 0.250000000000000, 0.775777400000000 ] mass: 79.904000 reduced_to: 14 - symbol: Br # 15 coordinates: [ 0.881894910000000, 0.250000000000000, 0.571934930000000 ] mass: 79.904000 reduced_to: 15 - symbol: Br # 16 coordinates: [ 0.498628210000000, 0.250000000000000, 0.399661950000000 ] mass: 79.904000 reduced_to: 16 - symbol: Br # 17 coordinates: [ 0.001371790000000, 0.750000000000000, 0.899661950000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 18 coordinates: [ 0.813527530000000, 0.750000000000000, 0.275777400000000 ] mass: 79.904000 reduced_to: 18 - symbol: Br # 19 coordinates: [ 0.998628210000000, 0.250000000000000, 0.100338050000000 ] mass: 79.904000 reduced_to: 19 - symbol: Br # 20 coordinates: [ 0.501371790000000, 0.750000000000000, 0.600338050000000 ] mass: 79.904000 reduced_to: 20 - symbol: Br # 21 coordinates: [ 0.381894910000000, 0.250000000000000, 0.928065070000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 22 coordinates: [ 0.186472470000000, 0.250000000000000, 0.724222600000000 ] mass: 79.904000 reduced_to: 22 - symbol: Br # 23 coordinates: [ 0.118105090000000, 0.750000000000000, 0.428065070000000 ] mass: 79.904000 reduced_to: 23 - symbol: Br # 24 coordinates: [ 0.313527530000000, 0.750000000000000, 0.224222600000000 ] mass: 79.904000 reduced_to: 24supercell: lattice: - [ 19.065124560000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 13.805783580000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 18.532927290000000 ] # c points: - symbol: Rb # 1 coordinates: [ 0.210912280000000, 0.250000000000000, 0.787473560000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 2 coordinates: [ 0.710912280000000, 0.250000000000000, 0.787473560000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 3 coordinates: [ 0.210912280000000, 0.583333333333333, 0.787473560000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 4 coordinates: [ 0.710912280000000, 0.583333333333333, 0.787473560000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 5 coordinates: [ 0.210912280000000, 0.916666666666667, 0.787473560000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 6 coordinates: [ 0.710912280000000, 0.916666666666667, 0.787473560000000 ] mass: 85.467800 reduced_to: 1 - symbol: Rb # 7 coordinates: [ 0.375249955000000, 0.250000000000000, 0.458359780000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 8 coordinates: [ 0.875249955000000, 0.250000000000000, 0.458359780000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 9 coordinates: [ 0.375249955000000, 0.583333333333333, 0.458359780000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 10 coordinates: [ 0.875249955000000, 0.583333333333333, 0.458359780000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 11 coordinates: [ 0.375249955000000, 0.916666666666667, 0.458359780000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 12 coordinates: [ 0.875249955000000, 0.916666666666667, 0.458359780000000 ] mass: 85.467800 reduced_to: 7 - symbol: Rb # 13 coordinates: [ 0.460912280000000, 0.250000000000000, 0.712526440000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 14 coordinates: [ 0.960912280000000, 0.250000000000000, 0.712526440000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 15 coordinates: [ 0.460912280000000, 0.583333333333333, 0.712526440000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 16 coordinates: [ 0.960912280000000, 0.583333333333333, 0.712526440000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 17 coordinates: [ 0.460912280000000, 0.916666666666667, 0.712526440000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 18 coordinates: [ 0.960912280000000, 0.916666666666667, 0.712526440000000 ] mass: 85.467800 reduced_to: 13 - symbol: Rb # 19 coordinates: [ 0.039087720000000, 0.083333333333333, 0.287473560000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 20 coordinates: [ 0.539087720000000, 0.083333333333333, 0.287473560000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 21 coordinates: [ 0.039087720000000, 0.416666666666667, 0.287473560000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 22 coordinates: [ 0.539087720000000, 0.416666666666667, 0.287473560000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 23 coordinates: [ 0.039087720000000, 0.750000000000000, 0.287473560000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 24 coordinates: [ 0.539087720000000, 0.750000000000000, 0.287473560000000 ] mass: 85.467800 reduced_to: 19 - symbol: Rb # 25 coordinates: [ 0.124750045000000, 0.083333333333333, 0.541640220000000 ] mass: 85.467800 reduced_to: 25 - symbol: Rb # 26 coordinates: [ 0.624750045000000, 0.083333333333333, 0.541640220000000 ] mass: 85.467800 reduced_to: 25 - symbol: Rb # 27 coordinates: [ 0.124750045000000, 0.416666666666667, 0.541640220000000 ] mass: 85.467800 reduced_to: 25 - symbol: Rb # 28 coordinates: [ 0.624750045000000, 0.416666666666667, 0.541640220000000 ] mass: 85.467800 reduced_to: 25 - symbol: Rb # 29 coordinates: [ 0.124750045000000, 0.750000000000000, 0.541640220000000 ] mass: 85.467800 reduced_to: 25 - symbol: Rb # 30 coordinates: [ 0.624750045000000, 0.750000000000000, 0.541640220000000 ] mass: 85.467800 reduced_to: 25 - symbol: Rb # 31 coordinates: [ 0.125249955000000, 0.250000000000000, 0.041640220000000 ] mass: 85.467800 reduced_to: 31 - symbol: Rb # 32 coordinates: [ 0.625249955000000, 0.250000000000000, 0.041640220000000 ] mass: 85.467800 reduced_to: 31 - symbol: Rb # 33 coordinates: [ 0.125249955000000, 0.583333333333333, 0.041640220000000 ] mass: 85.467800 reduced_to: 31 - symbol: Rb # 34 coordinates: [ 0.625249955000000, 0.583333333333333, 0.041640220000000 ] mass: 85.467800 reduced_to: 31 - symbol: Rb # 35 coordinates: [ 0.125249955000000, 0.916666666666667, 0.041640220000000 ] mass: 85.467800 reduced_to: 31 - symbol: Rb # 36 coordinates: [ 0.625249955000000, 0.916666666666667, 0.041640220000000 ] mass: 85.467800 reduced_to: 31 - symbol: Rb # 37 coordinates: [ 0.374750045000000, 0.083333333333333, 0.958359780000000 ] mass: 85.467800 reduced_to: 37 - symbol: Rb # 38 coordinates: [ 0.874750045000000, 0.083333333333333, 0.958359780000000 ] mass: 85.467800 reduced_to: 37 - symbol: Rb # 39 coordinates: [ 0.374750045000000, 0.416666666666667, 0.958359780000000 ] mass: 85.467800 reduced_to: 37 - symbol: Rb # 40 coordinates: [ 0.874750045000000, 0.416666666666667, 0.958359780000000 ] mass: 85.467800 reduced_to: 37 - symbol: Rb # 41 coordinates: [ 0.374750045000000, 0.750000000000000, 0.958359780000000 ] mass: 85.467800 reduced_to: 37 - symbol: Rb # 42 coordinates: [ 0.874750045000000, 0.750000000000000, 0.958359780000000 ] mass: 85.467800 reduced_to: 37 - symbol: Rb # 43 coordinates: [ 0.289087720000000, 0.083333333333333, 0.212526440000000 ] mass: 85.467800 reduced_to: 43 - symbol: Rb # 44 coordinates: [ 0.789087720000000, 0.083333333333333, 0.212526440000000 ] mass: 85.467800 reduced_to: 43 - symbol: Rb # 45 coordinates: [ 0.289087720000000, 0.416666666666667, 0.212526440000000 ] mass: 85.467800 reduced_to: 43 - symbol: Rb # 46 coordinates: [ 0.789087720000000, 0.416666666666667, 0.212526440000000 ] mass: 85.467800 reduced_to: 43 - symbol: Rb # 47 coordinates: [ 0.289087720000000, 0.750000000000000, 0.212526440000000 ] mass: 85.467800 reduced_to: 43 - symbol: Rb # 48 coordinates: [ 0.789087720000000, 0.750000000000000, 0.212526440000000 ] mass: 85.467800 reduced_to: 43 - symbol: Ag # 49 coordinates: [ 0.315654115000000, 0.083333333333333, 0.634715360000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 50 coordinates: [ 0.815654115000000, 0.083333333333333, 0.634715360000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 51 coordinates: [ 0.315654115000000, 0.416666666666667, 0.634715360000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 52 coordinates: [ 0.815654115000000, 0.416666666666667, 0.634715360000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 53 coordinates: [ 0.315654115000000, 0.750000000000000, 0.634715360000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 54 coordinates: [ 0.815654115000000, 0.750000000000000, 0.634715360000000 ] mass: 107.868200 reduced_to: 49 - symbol: Ag # 55 coordinates: [ 0.434345885000000, 0.250000000000000, 0.134715360000000 ] mass: 107.868200 reduced_to: 55 - symbol: Ag # 56 coordinates: [ 0.934345885000000, 0.250000000000000, 0.134715360000000 ] mass: 107.868200 reduced_to: 55 - symbol: Ag # 57 coordinates: [ 0.434345885000000, 0.583333333333333, 0.134715360000000 ] mass: 107.868200 reduced_to: 55 - symbol: Ag # 58 coordinates: [ 0.934345885000000, 0.583333333333333, 0.134715360000000 ] mass: 107.868200 reduced_to: 55 - symbol: Ag # 59 coordinates: [ 0.434345885000000, 0.916666666666667, 0.134715360000000 ] mass: 107.868200 reduced_to: 55 - symbol: Ag # 60 coordinates: [ 0.934345885000000, 0.916666666666667, 0.134715360000000 ] mass: 107.868200 reduced_to: 55 - symbol: Ag # 61 coordinates: [ 0.184345885000000, 0.250000000000000, 0.365284640000000 ] mass: 107.868200 reduced_to: 61 - symbol: Ag # 62 coordinates: [ 0.684345885000000, 0.250000000000000, 0.365284640000000 ] mass: 107.868200 reduced_to: 61 - symbol: Ag # 63 coordinates: [ 0.184345885000000, 0.583333333333333, 0.365284640000000 ] mass: 107.868200 reduced_to: 61 - symbol: Ag # 64 coordinates: [ 0.684345885000000, 0.583333333333333, 0.365284640000000 ] mass: 107.868200 reduced_to: 61 - symbol: Ag # 65 coordinates: [ 0.184345885000000, 0.916666666666667, 0.365284640000000 ] mass: 107.868200 reduced_to: 61 - symbol: Ag # 66 coordinates: [ 0.684345885000000, 0.916666666666667, 0.365284640000000 ] mass: 107.868200 reduced_to: 61 - symbol: Ag # 67 coordinates: [ 0.065654115000000, 0.083333333333333, 0.865284640000000 ] mass: 107.868200 reduced_to: 67 - symbol: Ag # 68 coordinates: [ 0.565654115000000, 0.083333333333333, 0.865284640000000 ] mass: 107.868200 reduced_to: 67 - symbol: Ag # 69 coordinates: [ 0.065654115000000, 0.416666666666667, 0.865284640000000 ] mass: 107.868200 reduced_to: 67 - symbol: Ag # 70 coordinates: [ 0.565654115000000, 0.416666666666667, 0.865284640000000 ] mass: 107.868200 reduced_to: 67 - symbol: Ag # 71 coordinates: [ 0.065654115000000, 0.750000000000000, 0.865284640000000 ] mass: 107.868200 reduced_to: 67 - symbol: Ag # 72 coordinates: [ 0.565654115000000, 0.750000000000000, 0.865284640000000 ] mass: 107.868200 reduced_to: 67 - symbol: Br # 73 coordinates: [ 0.309052545000000, 0.250000000000000, 0.071934930000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 74 coordinates: [ 0.809052545000000, 0.250000000000000, 0.071934930000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 75 coordinates: [ 0.309052545000000, 0.583333333333333, 0.071934930000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 76 coordinates: [ 0.809052545000000, 0.583333333333333, 0.071934930000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 77 coordinates: [ 0.309052545000000, 0.916666666666667, 0.071934930000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 78 coordinates: [ 0.809052545000000, 0.916666666666667, 0.071934930000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 79 coordinates: [ 0.343236235000000, 0.083333333333333, 0.775777400000000 ] mass: 79.904000 reduced_to: 79 - symbol: Br # 80 coordinates: [ 0.843236235000000, 0.083333333333333, 0.775777400000000 ] mass: 79.904000 reduced_to: 79 - symbol: Br # 81 coordinates: [ 0.343236235000000, 0.416666666666667, 0.775777400000000 ] mass: 79.904000 reduced_to: 79 - symbol: Br # 82 coordinates: [ 0.843236235000000, 0.416666666666667, 0.775777400000000 ] mass: 79.904000 reduced_to: 79 - symbol: Br # 83 coordinates: [ 0.343236235000000, 0.750000000000000, 0.775777400000000 ] mass: 79.904000 reduced_to: 79 - symbol: Br # 84 coordinates: [ 0.843236235000000, 0.750000000000000, 0.775777400000000 ] mass: 79.904000 reduced_to: 79 - symbol: Br # 85 coordinates: [ 0.440947455000000, 0.083333333333333, 0.571934930000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 86 coordinates: [ 0.940947455000000, 0.083333333333333, 0.571934930000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 87 coordinates: [ 0.440947455000000, 0.416666666666667, 0.571934930000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 88 coordinates: [ 0.940947455000000, 0.416666666666667, 0.571934930000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 89 coordinates: [ 0.440947455000000, 0.750000000000000, 0.571934930000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 90 coordinates: [ 0.940947455000000, 0.750000000000000, 0.571934930000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 91 coordinates: [ 0.249314105000000, 0.083333333333333, 0.399661950000000 ] mass: 79.904000 reduced_to: 91 - symbol: Br # 92 coordinates: [ 0.749314105000000, 0.083333333333333, 0.399661950000000 ] mass: 79.904000 reduced_to: 91 - symbol: Br # 93 coordinates: [ 0.249314105000000, 0.416666666666667, 0.399661950000000 ] mass: 79.904000 reduced_to: 91 - symbol: Br # 94 coordinates: [ 0.749314105000000, 0.416666666666667, 0.399661950000000 ] mass: 79.904000 reduced_to: 91 - symbol: Br # 95 coordinates: [ 0.249314105000000, 0.750000000000000, 0.399661950000000 ] mass: 79.904000 reduced_to: 91 - symbol: Br # 96 coordinates: [ 0.749314105000000, 0.750000000000000, 0.399661950000000 ] mass: 79.904000 reduced_to: 91 - symbol: Br # 97 coordinates: [ 0.000685895000000, 0.250000000000000, 0.899661950000000 ] mass: 79.904000 reduced_to: 97 - symbol: Br # 98 coordinates: [ 0.500685895000000, 0.250000000000000, 0.899661950000000 ] mass: 79.904000 reduced_to: 97 - symbol: Br # 99 coordinates: [ 0.000685895000000, 0.583333333333333, 0.899661950000000 ] mass: 79.904000 reduced_to: 97 - symbol: Br # 100 coordinates: [ 0.500685895000000, 0.583333333333333, 0.899661950000000 ] mass: 79.904000 reduced_to: 97 - symbol: Br # 101 coordinates: [ 0.000685895000000, 0.916666666666667, 0.899661950000000 ] mass: 79.904000 reduced_to: 97 - symbol: Br # 102 coordinates: [ 0.500685895000000, 0.916666666666667, 0.899661950000000 ] mass: 79.904000 reduced_to: 97 - symbol: Br # 103 coordinates: [ 0.406763765000000, 0.250000000000000, 0.275777400000000 ] mass: 79.904000 reduced_to: 103 - symbol: Br # 104 coordinates: [ 0.906763765000000, 0.250000000000000, 0.275777400000000 ] mass: 79.904000 reduced_to: 103 - symbol: Br # 105 coordinates: [ 0.406763765000000, 0.583333333333333, 0.275777400000000 ] mass: 79.904000 reduced_to: 103 - symbol: Br # 106 coordinates: [ 0.906763765000000, 0.583333333333333, 0.275777400000000 ] mass: 79.904000 reduced_to: 103 - symbol: Br # 107 coordinates: [ 0.406763765000000, 0.916666666666667, 0.275777400000000 ] mass: 79.904000 reduced_to: 103 - symbol: Br # 108 coordinates: [ 0.906763765000000, 0.916666666666667, 0.275777400000000 ] mass: 79.904000 reduced_to: 103 - symbol: Br # 109 coordinates: [ 0.499314105000000, 0.083333333333333, 0.100338050000000 ] mass: 79.904000 reduced_to: 109 - symbol: Br # 110 coordinates: [ 0.999314105000000, 0.083333333333333, 0.100338050000000 ] mass: 79.904000 reduced_to: 109 - symbol: Br # 111 coordinates: [ 0.499314105000000, 0.416666666666667, 0.100338050000000 ] mass: 79.904000 reduced_to: 109 - symbol: Br # 112 coordinates: [ 0.999314105000000, 0.416666666666667, 0.100338050000000 ] mass: 79.904000 reduced_to: 109 - symbol: Br # 113 coordinates: [ 0.499314105000000, 0.750000000000000, 0.100338050000000 ] mass: 79.904000 reduced_to: 109 - symbol: Br # 114 coordinates: [ 0.999314105000000, 0.750000000000000, 0.100338050000000 ] mass: 79.904000 reduced_to: 109 - symbol: Br # 115 coordinates: [ 0.250685895000000, 0.250000000000000, 0.600338050000000 ] mass: 79.904000 reduced_to: 115 - symbol: Br # 116 coordinates: [ 0.750685895000000, 0.250000000000000, 0.600338050000000 ] mass: 79.904000 reduced_to: 115 - symbol: Br # 117 coordinates: [ 0.250685895000000, 0.583333333333333, 0.600338050000000 ] mass: 79.904000 reduced_to: 115 - symbol: Br # 118 coordinates: [ 0.750685895000000, 0.583333333333333, 0.600338050000000 ] mass: 79.904000 reduced_to: 115 - symbol: Br # 119 coordinates: [ 0.250685895000000, 0.916666666666667, 0.600338050000000 ] mass: 79.904000 reduced_to: 115 - symbol: Br # 120 coordinates: [ 0.750685895000000, 0.916666666666667, 0.600338050000000 ] mass: 79.904000 reduced_to: 115 - symbol: Br # 121 coordinates: [ 0.190947455000000, 0.083333333333333, 0.928065070000000 ] mass: 79.904000 reduced_to: 121 - symbol: Br # 122 coordinates: [ 0.690947455000000, 0.083333333333333, 0.928065070000000 ] mass: 79.904000 reduced_to: 121 - symbol: Br # 123 coordinates: [ 0.190947455000000, 0.416666666666667, 0.928065070000000 ] mass: 79.904000 reduced_to: 121 - symbol: Br # 124 coordinates: [ 0.690947455000000, 0.416666666666667, 0.928065070000000 ] mass: 79.904000 reduced_to: 121 - symbol: Br # 125 coordinates: [ 0.190947455000000, 0.750000000000000, 0.928065070000000 ] mass: 79.904000 reduced_to: 121 - symbol: Br # 126 coordinates: [ 0.690947455000000, 0.750000000000000, 0.928065070000000 ] mass: 79.904000 reduced_to: 121 - symbol: Br # 127 coordinates: [ 0.093236235000000, 0.083333333333333, 0.724222600000000 ] mass: 79.904000 reduced_to: 127 - symbol: Br # 128 coordinates: [ 0.593236235000000, 0.083333333333333, 0.724222600000000 ] mass: 79.904000 reduced_to: 127 - symbol: Br # 129 coordinates: [ 0.093236235000000, 0.416666666666667, 0.724222600000000 ] mass: 79.904000 reduced_to: 127 - symbol: Br # 130 coordinates: [ 0.593236235000000, 0.416666666666667, 0.724222600000000 ] mass: 79.904000 reduced_to: 127 - symbol: Br # 131 coordinates: [ 0.093236235000000, 0.750000000000000, 0.724222600000000 ] mass: 79.904000 reduced_to: 127 - symbol: Br # 132 coordinates: [ 0.593236235000000, 0.750000000000000, 0.724222600000000 ] mass: 79.904000 reduced_to: 127 - symbol: Br # 133 coordinates: [ 0.059052545000000, 0.250000000000000, 0.428065070000000 ] mass: 79.904000 reduced_to: 133 - symbol: Br # 134 coordinates: [ 0.559052545000000, 0.250000000000000, 0.428065070000000 ] mass: 79.904000 reduced_to: 133 - symbol: Br # 135 coordinates: [ 0.059052545000000, 0.583333333333333, 0.428065070000000 ] mass: 79.904000 reduced_to: 133 - symbol: Br # 136 coordinates: [ 0.559052545000000, 0.583333333333333, 0.428065070000000 ] mass: 79.904000 reduced_to: 133 - symbol: Br # 137 coordinates: [ 0.059052545000000, 0.916666666666667, 0.428065070000000 ] mass: 79.904000 reduced_to: 133 - symbol: Br # 138 coordinates: [ 0.559052545000000, 0.916666666666667, 0.428065070000000 ] mass: 79.904000 reduced_to: 133 - symbol: Br # 139 coordinates: [ 0.156763765000000, 0.250000000000000, 0.224222600000000 ] mass: 79.904000 reduced_to: 139 - symbol: Br # 140 coordinates: [ 0.656763765000000, 0.250000000000000, 0.224222600000000 ] mass: 79.904000 reduced_to: 139 - symbol: Br # 141 coordinates: [ 0.156763765000000, 0.583333333333333, 0.224222600000000 ] mass: 79.904000 reduced_to: 139 - symbol: Br # 142 coordinates: [ 0.656763765000000, 0.583333333333333, 0.224222600000000 ] mass: 79.904000 reduced_to: 139 - symbol: Br # 143 coordinates: [ 0.156763765000000, 0.916666666666667, 0.224222600000000 ] mass: 79.904000 reduced_to: 139 - symbol: Br # 144 coordinates: [ 0.656763765000000, 0.916666666666667, 0.224222600000000 ] mass: 79.904000 reduced_to: 139born_effective_charge:- # 1 (Rb) - [ 1.192718600000000, 0.000000000000000, -0.175887080000000 ] - [ 0.000000000000000, 1.299914240000000, 0.000000000000000 ] - [ -0.222359080000000, 0.000000000000000, 1.065711420000000 ]- # 2 (Rb) - [ 1.315183560000000, 0.000000000000000, 0.041283670000000 ] - [ 0.000000000000000, 1.105451930000000, 0.000000000000000 ] - [ 0.023134560000000, 0.000000000000000, 1.421706030000000 ]- # 3 (Rb) - [ 1.192718600000000, 0.000000000000000, 0.175887080000000 ] - [ 0.000000000000000, 1.299914240000000, 0.000000000000000 ] - [ 0.222359080000000, 0.000000000000000, 1.065711420000000 ]- # 4 (Rb) - [ 1.192718600000000, 0.000000000000000, 0.175887080000000 ] - [ 0.000000000000000, 1.299914240000000, 0.000000000000000 ] - [ 0.222359080000000, 0.000000000000000, 1.065711420000000 ]- # 5 (Rb) - [ 1.315183560000000, 0.000000000000000, 0.041283670000000 ] - [ 0.000000000000000, 1.105451930000000, 0.000000000000000 ] - [ 0.023134560000000, 0.000000000000000, 1.421706030000000 ]- # 6 (Rb) - [ 1.315183560000000, 0.000000000000000, -0.041283670000000 ] - [ 0.000000000000000, 1.105451930000000, 0.000000000000000 ] - [ -0.023134560000000, 0.000000000000000, 1.421706030000000 ]- # 7 (Rb) - [ 1.315183560000000, 0.000000000000000, -0.041283670000000 ] - [ 0.000000000000000, 1.105451930000000, 0.000000000000000 ] - [ -0.023134560000000, 0.000000000000000, 1.421706030000000 ]- # 8 (Rb) - [ 1.192718600000000, 0.000000000000000, -0.175887080000000 ] - [ 0.000000000000000, 1.299914240000000, 0.000000000000000 ] - [ -0.222359080000000, 0.000000000000000, 1.065711420000000 ]- # 9 (Ag) - [ 0.935369400000000, 0.000000000000000, -0.024855330000000 ] - [ 0.000000000000000, 1.342763570000000, 0.000000000000000 ] - [ -0.040728040000000, 0.000000000000000, 0.974580480000000 ]- # 10 (Ag) - [ 0.935369400000000, 0.000000000000000, 0.024855330000000 ] - [ 0.000000000000000, 1.342763570000000, 0.000000000000000 ] - [ 0.040728040000000, 0.000000000000000, 0.974580480000000 ]- # 11 (Ag) - [ 0.935369400000000, 0.000000000000000, -0.024855330000000 ] - [ 0.000000000000000, 1.342763570000000, 0.000000000000000 ] - [ -0.040728040000000, 0.000000000000000, 0.974580480000000 ]- # 12 (Ag) - [ 0.935369400000000, 0.000000000000000, 0.024855330000000 ] - [ 0.000000000000000, 1.342763570000000, 0.000000000000000 ] - [ 0.040728040000000, 0.000000000000000, 0.974580480000000 ]- # 13 (Br) - [ -1.343147120000000, 0.000000000000000, -0.099636940000000 ] - [ 0.000000000000000, -0.998494170000000, 0.000000000000000 ] - [ -0.119722390000000, 0.000000000000000, -1.149194820000000 ]- # 14 (Br) - [ -1.066842730000000, 0.000000000000000, -0.019429770000000 ] - [ 0.000000000000000, -1.008487250000000, 0.000000000000000 ] - [ -0.073890340000000, 0.000000000000000, -1.376349890000000 ]- # 15 (Br) - [ -1.343147120000000, 0.000000000000000, 0.099636940000000 ] - [ 0.000000000000000, -0.998494170000000, 0.000000000000000 ] - [ 0.119722390000000, 0.000000000000000, -1.149194820000000 ]- # 16 (Br) - [ -1.033281710000000, 0.000000000000000, -0.116451370000000 ] - [ 0.000000000000000, -1.741148330000000, 0.000000000000000 ] - [ -0.067129080000000, 0.000000000000000, -0.936453200000000 ]- # 17 (Br) - [ -1.033281710000000, 0.000000000000000, 0.116451370000000 ] - [ 0.000000000000000, -1.741148330000000, 0.000000000000000 ] - [ 0.067129080000000, 0.000000000000000, -0.936453200000000 ]- # 18 (Br) - [ -1.066842730000000, 0.000000000000000, 0.019429770000000 ] - [ 0.000000000000000, -1.008487250000000, 0.000000000000000 ] - [ 0.073890340000000, 0.000000000000000, -1.376349890000000 ]- # 19 (Br) - [ -1.033281710000000, 0.000000000000000, 0.116451370000000 ] - [ 0.000000000000000, -1.741148330000000, 0.000000000000000 ] - [ 0.067129080000000, 0.000000000000000, -0.936453200000000 ]- # 20 (Br) - [ -1.033281710000000, 0.000000000000000, -0.116451370000000 ] - [ 0.000000000000000, -1.741148330000000, 0.000000000000000 ] - [ -0.067129080000000, 0.000000000000000, -0.936453200000000 ]- # 21 (Br) - [ -1.343147120000000, 0.000000000000000, -0.099636940000000 ] - [ 0.000000000000000, -0.998494170000000, 0.000000000000000 ] - [ -0.119722390000000, 0.000000000000000, -1.149194820000000 ]- # 22 (Br) - [ -1.066842730000000, 0.000000000000000, 0.019429770000000 ] - [ 0.000000000000000, -1.008487250000000, 0.000000000000000 ] - [ 0.073890340000000, 0.000000000000000, -1.376349890000000 ]- # 23 (Br) - [ -1.343147120000000, 0.000000000000000, 0.099636940000000 ] - [ 0.000000000000000, -0.998494170000000, 0.000000000000000 ] - [ 0.119722390000000, 0.000000000000000, -1.149194820000000 ]- # 24 (Br) - [ -1.066842730000000, 0.000000000000000, -0.019429770000000 ] - [ 0.000000000000000, -1.008487250000000, 0.000000000000000 ] - [ -0.073890340000000, 0.000000000000000, -1.376349890000000 ]dielectric_constant: - [ 3.178741070000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.443876130000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.187002720000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0171358700000000, 0.0000000000000000, -0.0000641000000000 ] - [ 0.0004614900000000, 0.0000000000000000, 0.0001898400000000 ] - [ -0.0008243900000000, 0.0000035400000000, 0.0002789200000000 ] - [ 0.0003951900000000, -0.0000002500000000, 0.0001930500000000 ] - [ -0.0008243900000000, -0.0000035400000000, 0.0002789200000000 ] - [ 0.0003951900000000, 0.0000002500000000, 0.0001930500000000 ] - [ -0.0037759800000000, 0.0000000000000000, -0.0014844300000000 ] - [ -0.0036959200000000, 0.0000000000000000, -0.0011170200000000 ] - [ -0.0038096200000000, 0.0000694400000000, -0.0013792000000000 ] - [ -0.0037138700000000, -0.0000288900000000, -0.0011437700000000 ] - [ -0.0038096200000000, -0.0000694400000000, -0.0013792000000000 ] - [ -0.0037138700000000, 0.0000288900000000, -0.0011437700000000 ] - [ 0.0013396200000000, 0.0000000000000000, -0.0006460400000000 ] - [ 0.0013296200000000, 0.0000000000000000, 0.0002206500000000 ] - [ 0.0004763200000000, 0.0003257900000000, -0.0003130200000000 ] - [ 0.0004765900000000, -0.0002852200000000, -0.0000961100000000 ] - [ 0.0004763200000000, -0.0003257900000000, -0.0003130200000000 ] - [ 0.0004765900000000, 0.0002852200000000, -0.0000961100000000 ] - [ -0.0002115200000000, 0.0000071100000000, 0.0001728900000000 ] - [ -0.0001047900000000, -0.0000111700000000, 0.0001951800000000 ] - [ -0.0002115200000000, -0.0000071100000000, 0.0001728900000000 ] - [ -0.0001047900000000, 0.0000111700000000, 0.0001951800000000 ] - [ -0.0002052800000000, 0.0000000000000000, 0.0001804600000000 ] - [ -0.0001142500000000, 0.0000000000000000, 0.0001957500000000 ] - [ 0.0033791100000000, 0.0000222200000000, 0.0016641700000000 ] - [ 0.0040010000000000, -0.0000104400000000, 0.0011641200000000 ] - [ 0.0033791100000000, -0.0000222200000000, 0.0016641700000000 ] - [ 0.0040010000000000, 0.0000104400000000, 0.0011641200000000 ] - [ 0.0035508400000000, 0.0000000000000000, 0.0012814200000000 ] - [ 0.0039229000000000, 0.0000000000000000, 0.0011891800000000 ] - [ -0.0039958600000000, 0.0000000000000000, 0.0006792500000000 ] - [ -0.0036150300000000, 0.0000000000000000, 0.0013131100000000 ] - [ -0.0038867000000000, -0.0000781800000000, 0.0010357400000000 ] - [ -0.0036591200000000, 0.0000115900000000, 0.0012784300000000 ] - [ -0.0038867000000000, 0.0000781800000000, 0.0010357400000000 ] - [ -0.0036591200000000, -0.0000115900000000, 0.0012784300000000 ] - [ 0.0038513900000000, -0.0004131200000000, -0.0004081800000000 ] - [ 0.0041214500000000, 0.0001350600000000, -0.0013867000000000 ] - [ 0.0038513900000000, 0.0004131200000000, -0.0004081800000000 ] - [ 0.0041214500000000, -0.0001350600000000, -0.0013867000000000 ] - [ 0.0036444400000000, 0.0000000000000000, -0.0010836000000000 ] - [ 0.0039756500000000, 0.0000000000000000, -0.0012988400000000 ] - [ -0.0002277600000000, -0.0000203500000000, -0.0002169400000000 ] - [ -0.0000710700000000, 0.0000066100000000, -0.0002515600000000 ] - [ -0.0002277600000000, 0.0000203500000000, -0.0002169400000000 ] - [ -0.0000710700000000, -0.0000066100000000, -0.0002515600000000 ] - [ -0.0002109400000000, 0.0000000000000000, -0.0002230400000000 ] - [ -0.0000803500000000, 0.0000000000000000, -0.0002452100000000 ] - [ 0.0153039900000000, -0.0002994300000000, 0.0071118300000000 ] - [ 0.0155129400000000, 0.0000096800000000, 0.0082271900000000 ] - [ 0.0153039900000000, 0.0002994300000000, 0.0071118300000000 ] - [ 0.0155129400000000, -0.0000096800000000, 0.0082271900000000 ] - [ 0.0153678300000000, 0.0000000000000000, 0.0081206300000000 ] - [ 0.0154262500000000, 0.0000000000000000, 0.0082069900000000 ] - [ -0.0153636100000000, 0.0000000000000000, 0.0081665300000000 ] - [ -0.0152949500000000, 0.0000000000000000, 0.0080944800000000 ] - [ -0.0154079900000000, 0.0000233500000000, 0.0081497100000000 ] - [ -0.0152884000000000, -0.0000311300000000, 0.0081132100000000 ] - [ -0.0154079900000000, -0.0000233500000000, 0.0081497100000000 ] - [ -0.0152884000000000, 0.0000311300000000, 0.0081132100000000 ] - [ -0.0154782400000000, 0.0000000000000000, -0.0081997600000000 ] - [ -0.0152517300000000, 0.0000000000000000, -0.0081763400000000 ] - [ -0.0154599800000000, 0.0000128800000000, -0.0081883100000000 ] - [ -0.0152719300000000, -0.0000019600000000, -0.0081707300000000 ] - [ -0.0154599800000000, -0.0000128800000000, -0.0081883100000000 ] - [ -0.0152719300000000, 0.0000019600000000, -0.0081707300000000 ] - [ 0.0159013900000000, 0.0011756600000000, -0.0092548700000000 ] - [ 0.0155708200000000, -0.0001043600000000, -0.0081095900000000 ] - [ 0.0159013900000000, -0.0011756600000000, -0.0092548700000000 ] - [ 0.0155708200000000, 0.0001043600000000, -0.0081095900000000 ] - [ 0.0150986600000000, 0.0000000000000000, -0.0081168100000000 ] - [ 0.0155185500000000, 0.0000000000000000, -0.0081555300000000 ] - [ 0.0006702700000000, 0.0000000000000000, -0.0006023000000000 ] - [ 0.0003225200000000, 0.0000000000000000, -0.0003354100000000 ] - [ 0.0006457800000000, -0.0000278900000000, -0.0004317800000000 ] - [ 0.0003582900000000, 0.0000196700000000, -0.0003614800000000 ] - [ 0.0006457800000000, 0.0000278900000000, -0.0004317800000000 ] - [ 0.0003582900000000, -0.0000196700000000, -0.0003614800000000 ] - [ 0.0024672500000000, -0.0026674400000000, 0.0002898100000000 ] - [ -0.0015498800000000, -0.0000745400000000, 0.0001760300000000 ] - [ 0.0024672500000000, 0.0026674400000000, 0.0002898100000000 ] - [ -0.0015498800000000, 0.0000745400000000, 0.0001760300000000 ] - [ -0.0010584500000000, 0.0000000000000000, 0.0002022300000000 ] - [ -0.0014253300000000, 0.0000000000000000, 0.0002080000000000 ] - [ -0.0007046600000000, 0.0000749600000000, -0.0000500200000000 ] - [ -0.0006932900000000, -0.0000569700000000, -0.0006199800000000 ] - [ -0.0007046600000000, -0.0000749600000000, -0.0000500200000000 ] - [ -0.0006932900000000, 0.0000569700000000, -0.0006199800000000 ] - [ -0.0004947600000000, 0.0000000000000000, -0.0003207800000000 ] - [ -0.0005367200000000, 0.0000000000000000, -0.0005060900000000 ] - [ 0.0147357700000000, 0.0000273400000000, 0.0086474600000000 ] - [ 0.0145042000000000, 0.0000020900000000, 0.0085569900000000 ] - [ 0.0147357700000000, -0.0000273400000000, 0.0086474600000000 ] - [ 0.0145042000000000, -0.0000020900000000, 0.0085569900000000 ] - [ 0.0146989100000000, 0.0000000000000000, 0.0086326100000000 ] - [ 0.0145175200000000, 0.0000000000000000, 0.0085573500000000 ] - [ -0.0152419800000000, 0.0000000000000000, 0.0091608600000000 ] - [ -0.0150073900000000, 0.0000000000000000, 0.0084079200000000 ] - [ -0.0146389200000000, 0.0002868500000000, 0.0087236300000000 ] - [ -0.0147576800000000, -0.0001145400000000, 0.0084848000000000 ] - [ -0.0146389200000000, -0.0002868500000000, 0.0087236300000000 ] - [ -0.0147576800000000, 0.0001145400000000, 0.0084848000000000 ] - [ 0.0012436500000000, 0.0000000000000000, 0.0002553900000000 ] - [ 0.0012053600000000, 0.0000000000000000, 0.0002850100000000 ] - [ 0.0012485400000000, -0.0000091400000000, 0.0002631100000000 ] - [ 0.0012064400000000, 0.0000077400000000, 0.0002833200000000 ] - [ 0.0012485400000000, 0.0000091400000000, 0.0002631100000000 ] - [ 0.0012064400000000, -0.0000077400000000, 0.0002833200000000 ] - [ 0.0145805800000000, 0.0000267400000000, -0.0086361100000000 ] - [ 0.0145690000000000, -0.0000532300000000, -0.0084359800000000 ] - [ 0.0145805800000000, -0.0000267400000000, -0.0086361100000000 ] - [ 0.0145690000000000, 0.0000532300000000, -0.0084359800000000 ] - [ 0.0146089200000000, 0.0000000000000000, -0.0085994100000000 ] - [ 0.0145873900000000, 0.0000000000000000, -0.0084893200000000 ] - [ -0.0137365900000000, 0.0000000000000000, -0.0089101200000000 ] - [ -0.0147860600000000, 0.0000000000000000, -0.0086137100000000 ] - [ -0.0142495800000000, -0.0002260100000000, -0.0084309200000000 ] - [ -0.0147514200000000, 0.0000302700000000, -0.0086063400000000 ] - [ -0.0142495800000000, 0.0002260100000000, -0.0084309200000000 ] - [ -0.0147514200000000, -0.0000302700000000, -0.0086063400000000 ] - [ 0.0006099000000000, 0.0002303500000000, 0.0002512100000000 ] - [ -0.0007560900000000, 0.0000184200000000, 0.0003627400000000 ] - [ 0.0006099000000000, -0.0002303500000000, 0.0002512100000000 ] - [ -0.0007560900000000, -0.0000184200000000, 0.0003627400000000 ] - [ -0.0002151700000000, 0.0000000000000000, 0.0004228300000000 ] - [ -0.0006928600000000, 0.0000000000000000, 0.0003750600000000 ] - [ 0.0016799300000000, 0.0023009000000000, 0.0011217800000000 ] - [ -0.0015308800000000, 0.0000654900000000, -0.0002330400000000 ] - [ 0.0016799300000000, -0.0023009000000000, 0.0011217800000000 ] - [ -0.0015308800000000, -0.0000654900000000, -0.0002330400000000 ] - [ -0.0010198600000000, 0.0000000000000000, -0.0003126200000000 ] - [ -0.0014322100000000, 0.0000000000000000, -0.0002319100000000 ] - [ 0.0006079700000000, 0.0000000000000000, 0.0003424300000000 ] - [ 0.0003396000000000, 0.0000000000000000, 0.0004934200000000 ] - [ 0.0005858700000000, 0.0000261300000000, 0.0003755200000000 ] - [ 0.0003715900000000, -0.0000215300000000, 0.0004716700000000 ] - [ 0.0005858700000000, -0.0000261300000000, 0.0003755200000000 ] - [ 0.0003715900000000, 0.0000215300000000, 0.0004716700000000 ] - [ 0.0013388900000000, 0.0000000000000000, -0.0001591800000000 ] - [ 0.0011542900000000, 0.0000000000000000, -0.0002239600000000 ] - [ 0.0013190500000000, 0.0000004000000000, -0.0001738900000000 ] - [ 0.0011643400000000, -0.0000023400000000, -0.0002269400000000 ] - [ 0.0013190500000000, -0.0000004000000000, -0.0001738900000000 ] - [ 0.0011643400000000, 0.0000023400000000, -0.0002269400000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0173782900000000, 0.0000000000000000, 0.0006004800000000 ] - [ -0.0001568000000000, 0.0000000000000000, 0.0002294900000000 ] - [ 0.0011284400000000, -0.0000076400000000, 0.0001416500000000 ] - [ -0.0000904800000000, 0.0000006000000000, 0.0002263600000000 ] - [ 0.0011284400000000, 0.0000076400000000, 0.0001416500000000 ] - [ -0.0000904800000000, -0.0000006000000000, 0.0002263600000000 ] - [ -0.0037696400000000, 0.0000000000000000, -0.0009472600000000 ] - [ -0.0038488900000000, 0.0000000000000000, -0.0013147500000000 ] - [ -0.0037354400000000, -0.0000692900000000, -0.0010525700000000 ] - [ -0.0038309100000000, 0.0000289600000000, -0.0012878200000000 ] - [ -0.0037354400000000, 0.0000692900000000, -0.0010525700000000 ] - [ -0.0038309100000000, -0.0000289600000000, -0.0012878200000000 ] - [ -0.0010244100000000, 0.0000000000000000, 0.0002218600000000 ] - [ -0.0010345200000000, 0.0000000000000000, -0.0006445700000000 ] - [ -0.0001715500000000, -0.0003253500000000, -0.0001062700000000 ] - [ -0.0001714000000000, 0.0002853100000000, -0.0003237400000000 ] - [ -0.0001715500000000, 0.0003253500000000, -0.0001062700000000 ] - [ -0.0001714000000000, -0.0002853100000000, -0.0003237400000000 ] - [ -0.0000930200000000, -0.0000071500000000, 0.0002464600000000 ] - [ -0.0001999900000000, 0.0000111700000000, 0.0002241300000000 ] - [ -0.0000930200000000, 0.0000071500000000, 0.0002464600000000 ] - [ -0.0001999900000000, -0.0000111700000000, 0.0002241300000000 ] - [ -0.0000993200000000, 0.0000000000000000, 0.0002390000000000 ] - [ -0.0001905200000000, 0.0000000000000000, 0.0002235100000000 ] - [ 0.0041661200000000, -0.0000224100000000, 0.0007677400000000 ] - [ 0.0035439900000000, 0.0000103100000000, 0.0012672500000000 ] - [ 0.0041661200000000, 0.0000224100000000, 0.0007677400000000 ] - [ 0.0035439900000000, -0.0000103100000000, 0.0012672500000000 ] - [ 0.0039937800000000, 0.0000000000000000, 0.0011503300000000 ] - [ 0.0036219300000000, 0.0000000000000000, 0.0012424200000000 ] - [ -0.0035457500000000, 0.0000000000000000, 0.0017507800000000 ] - [ -0.0039298900000000, 0.0000000000000000, 0.0011191200000000 ] - [ -0.0036572600000000, 0.0000773500000000, 0.0013948900000000 ] - [ -0.0038859800000000, -0.0000114200000000, 0.0011533700000000 ] - [ -0.0036572600000000, -0.0000773500000000, 0.0013948900000000 ] - [ -0.0038859800000000, 0.0000114200000000, 0.0011533700000000 ] - [ 0.0036927300000000, 0.0004103300000000, -0.0020200300000000 ] - [ 0.0034227000000000, -0.0001361700000000, -0.0010442500000000 ] - [ 0.0036927300000000, -0.0004103300000000, -0.0020200300000000 ] - [ 0.0034227000000000, 0.0001361700000000, -0.0010442500000000 ] - [ 0.0038999100000000, 0.0000000000000000, -0.0013478800000000 ] - [ 0.0035694300000000, 0.0000000000000000, -0.0011327400000000 ] - [ -0.0000771400000000, 0.0000203200000000, -0.0002027200000000 ] - [ -0.0002335800000000, -0.0000066700000000, -0.0001676800000000 ] - [ -0.0000771400000000, -0.0000203200000000, -0.0002027200000000 ] - [ -0.0002335800000000, 0.0000066700000000, -0.0001676800000000 ] - [ -0.0000938500000000, 0.0000000000000000, -0.0001965100000000 ] - [ -0.0002242800000000, 0.0000000000000000, -0.0001741000000000 ] - [ 0.0154140500000000, 0.0002987000000000, 0.0091954600000000 ] - [ 0.0152055200000000, -0.0000097200000000, 0.0080845300000000 ] - [ 0.0154140500000000, -0.0002987000000000, 0.0091954600000000 ] - [ 0.0152055200000000, 0.0000097200000000, 0.0080845300000000 ] - [ 0.0153507300000000, 0.0000000000000000, 0.0081918900000000 ] - [ 0.0152924300000000, 0.0000000000000000, 0.0081052400000000 ] - [ -0.0153575500000000, 0.0000000000000000, 0.0081450600000000 ] - [ -0.0154259100000000, 0.0000000000000000, 0.0082175000000000 ] - [ -0.0153132800000000, -0.0000232500000000, 0.0081622700000000 ] - [ -0.0154323900000000, 0.0000312700000000, 0.0081988700000000 ] - [ -0.0153132800000000, 0.0000232500000000, 0.0081622700000000 ] - [ -0.0154323900000000, -0.0000312700000000, 0.0081988700000000 ] - [ -0.0152404200000000, 0.0000000000000000, -0.0081125500000000 ] - [ -0.0154665100000000, 0.0000000000000000, -0.0081357900000000 ] - [ -0.0152581000000000, -0.0000130900000000, -0.0081240900000000 ] - [ -0.0154466100000000, 0.0000018600000000, -0.0081416900000000 ] - [ -0.0152581000000000, 0.0000130900000000, -0.0081240900000000 ] - [ -0.0154466100000000, -0.0000018600000000, -0.0081416900000000 ] - [ 0.0148117200000000, -0.0011939200000000, -0.0070461600000000 ] - [ 0.0151504000000000, 0.0001035400000000, -0.0082024000000000 ] - [ 0.0148117200000000, 0.0011939200000000, -0.0070461600000000 ] - [ 0.0151504000000000, -0.0001035400000000, -0.0082024000000000 ] - [ 0.0156231400000000, 0.0000000000000000, -0.0081947300000000 ] - [ 0.0152025800000000, 0.0000000000000000, -0.0081561700000000 ] - [ 0.0002982900000000, 0.0000000000000000, -0.0002203300000000 ] - [ 0.0006445700000000, 0.0000000000000000, -0.0004877800000000 ] - [ 0.0003222500000000, 0.0000280100000000, -0.0003904700000000 ] - [ 0.0006086900000000, -0.0000198800000000, -0.0004612800000000 ] - [ 0.0003222500000000, -0.0000280100000000, -0.0003904700000000 ] - [ 0.0006086900000000, 0.0000198800000000, -0.0004612800000000 ] - [ -0.0048296200000000, 0.0025484800000000, 0.0001708800000000 ] - [ -0.0009207000000000, 0.0000752500000000, 0.0002974600000000 ] - [ -0.0048296200000000, -0.0025484800000000, 0.0001708800000000 ] - [ -0.0009207000000000, -0.0000752500000000, 0.0002974600000000 ] - [ -0.0014121900000000, 0.0000000000000000, 0.0002702800000000 ] - [ -0.0010460500000000, 0.0000000000000000, 0.0002644100000000 ] - [ -0.0002618500000000, -0.0000747500000000, -0.0007726800000000 ] - [ -0.0002734500000000, 0.0000577900000000, -0.0002038900000000 ] - [ -0.0002618500000000, 0.0000747500000000, -0.0007726800000000 ] - [ -0.0002734500000000, -0.0000577900000000, -0.0002038900000000 ] - [ -0.0004723800000000, 0.0000000000000000, -0.0005029600000000 ] - [ -0.0004302500000000, 0.0000000000000000, -0.0003178800000000 ] - [ 0.0144704000000000, -0.0000276800000000, 0.0084914700000000 ] - [ 0.0147019000000000, -0.0000021200000000, 0.0085819700000000 ] - [ 0.0144704000000000, 0.0000276800000000, 0.0084914700000000 ] - [ 0.0147019000000000, 0.0000021200000000, 0.0085819700000000 ] - [ 0.0145072500000000, 0.0000000000000000, 0.0085063100000000 ] - [ 0.0146883600000000, 0.0000000000000000, 0.0085815000000000 ] - [ -0.0139606300000000, 0.0000000000000000, 0.0079728300000000 ] - [ -0.0142007500000000, 0.0000000000000000, 0.0087297500000000 ] - [ -0.0145685500000000, -0.0002865200000000, 0.0084153300000000 ] - [ -0.0144478500000000, 0.0001142600000000, 0.0086540100000000 ] - [ -0.0145685500000000, 0.0002865200000000, 0.0084153300000000 ] - [ -0.0144478500000000, -0.0001142600000000, 0.0086540100000000 ] - [ 0.0012269800000000, 0.0000000000000000, 0.0002181500000000 ] - [ 0.0012651600000000, 0.0000000000000000, 0.0001882500000000 ] - [ 0.0012222400000000, 0.0000092300000000, 0.0002091900000000 ] - [ 0.0012642800000000, -0.0000078700000000, 0.0001886800000000 ] - [ 0.0012222400000000, -0.0000092300000000, 0.0002091900000000 ] - [ 0.0012642800000000, 0.0000078700000000, 0.0001886800000000 ] - [ 0.0146255700000000, -0.0000267300000000, -0.0085029200000000 ] - [ 0.0146364400000000, 0.0000533600000000, -0.0087029600000000 ] - [ 0.0146255700000000, 0.0000267300000000, -0.0085029200000000 ] - [ 0.0146364400000000, -0.0000533600000000, -0.0087029600000000 ] - [ 0.0145971700000000, 0.0000000000000000, -0.0085393200000000 ] - [ 0.0146182600000000, 0.0000000000000000, -0.0086492700000000 ] - [ -0.0154706300000000, 0.0000000000000000, -0.0082228300000000 ] - [ -0.0144196000000000, 0.0000000000000000, -0.0085246300000000 ] - [ -0.0149559600000000, 0.0002254900000000, -0.0087076400000000 ] - [ -0.0144547800000000, -0.0000305200000000, -0.0085322700000000 ] - [ -0.0149559600000000, -0.0002254900000000, -0.0087076400000000 ] - [ -0.0144547800000000, 0.0000305200000000, -0.0085322700000000 ] - [ -0.0015782400000000, -0.0002276500000000, 0.0005650600000000 ] - [ -0.0002109700000000, -0.0000182100000000, 0.0004596300000000 ] - [ -0.0015782400000000, 0.0002276500000000, 0.0005650600000000 ] - [ -0.0002109700000000, 0.0000182100000000, 0.0004596300000000 ] - [ -0.0007521300000000, 0.0000000000000000, 0.0003995600000000 ] - [ -0.0002740900000000, 0.0000000000000000, 0.0004475500000000 ] - [ -0.0042211400000000, -0.0023939900000000, -0.0016408600000000 ] - [ -0.0009400300000000, -0.0000649500000000, -0.0002397200000000 ] - [ -0.0042211400000000, 0.0023939900000000, -0.0016408600000000 ] - [ -0.0009400300000000, 0.0000649500000000, -0.0002397200000000 ] - [ -0.0014508600000000, 0.0000000000000000, -0.0001600500000000 ] - [ -0.0010380600000000, 0.0000000000000000, -0.0002412400000000 ] - [ 0.0003591300000000, 0.0000000000000000, 0.0004811900000000 ] - [ 0.0006280000000000, 0.0000000000000000, 0.0003300800000000 ] - [ 0.0003807300000000, -0.0000260800000000, 0.0004482200000000 ] - [ 0.0005950600000000, 0.0000216800000000, 0.0003520700000000 ] - [ 0.0003807300000000, 0.0000260800000000, 0.0004482200000000 ] - [ 0.0005950600000000, -0.0000216800000000, 0.0003520700000000 ] - [ 0.0011317700000000, 0.0000000000000000, -0.0003130700000000 ] - [ 0.0013163100000000, 0.0000000000000000, -0.0002494800000000 ] - [ 0.0011518300000000, -0.0000003900000000, -0.0002977900000000 ] - [ 0.0013064200000000, 0.0000023200000000, -0.0002453800000000 ] - [ 0.0011518300000000, 0.0000003900000000, -0.0002977900000000 ] - [ 0.0013064200000000, -0.0000023200000000, -0.0002453800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001602400000000, -0.0203412900000000, 0.0001884000000000 ] - [ 0.0001529300000000, -0.0000969300000000, 0.0002109800000000 ] - [ 0.0001473300000000, 0.0020236200000000, 0.0001859700000000 ] - [ 0.0001533500000000, 0.0000485300000000, 0.0002161200000000 ] - [ 0.0001585300000000, 0.0020053300000000, 0.0002361800000000 ] - [ 0.0001525100000000, 0.0000486100000000, 0.0002058000000000 ] - [ -0.0037725400000000, -0.0001503900000000, -0.0012153700000000 ] - [ -0.0037719500000000, -0.0000823800000000, -0.0012158100000000 ] - [ -0.0037382300000000, 0.0000794400000000, -0.0013231200000000 ] - [ -0.0037969100000000, 0.0000410300000000, -0.0012449200000000 ] - [ -0.0038055700000000, 0.0000796900000000, -0.0011088000000000 ] - [ -0.0037470100000000, 0.0000411100000000, -0.0011866400000000 ] - [ 0.0001517500000000, -0.0007570700000000, -0.0002106000000000 ] - [ 0.0001540500000000, -0.0007570700000000, -0.0002107500000000 ] - [ 0.0004384500000000, 0.0003634900000000, -0.0003148600000000 ] - [ -0.0001727100000000, 0.0003635300000000, -0.0002977000000000 ] - [ -0.0001321000000000, 0.0003639500000000, -0.0001067300000000 ] - [ 0.0004783900000000, 0.0003639200000000, -0.0001248600000000 ] - [ -0.0001457700000000, -0.0000282500000000, 0.0002032400000000 ] - [ -0.0001641200000000, -0.0000189300000000, 0.0002093400000000 ] - [ -0.0001600300000000, -0.0000282900000000, 0.0002188100000000 ] - [ -0.0001418500000000, -0.0000189800000000, 0.0002126600000000 ] - [ -0.0001529400000000, 0.0000562900000000, 0.0002109500000000 ] - [ -0.0001529400000000, 0.0000379700000000, 0.0002109600000000 ] - [ 0.0037797400000000, -0.0000827700000000, 0.0017522600000000 ] - [ 0.0037073400000000, -0.0000224100000000, 0.0012457800000000 ] - [ 0.0037644300000000, -0.0000841800000000, 0.0006790600000000 ] - [ 0.0038366100000000, -0.0000224300000000, 0.0011858200000000 ] - [ 0.0037717700000000, 0.0002217100000000, 0.0012155100000000 ] - [ 0.0037720300000000, 0.0000451600000000, 0.0012158200000000 ] - [ -0.0037717100000000, -0.0007306400000000, 0.0012150600000000 ] - [ -0.0037720300000000, -0.0000404000000000, 0.0012157100000000 ] - [ -0.0039008000000000, 0.0003494900000000, 0.0015245400000000 ] - [ -0.0037512600000000, 0.0000202300000000, 0.0012370100000000 ] - [ -0.0036430700000000, 0.0003493700000000, 0.0009078300000000 ] - [ -0.0037927700000000, 0.0000202400000000, 0.0011944800000000 ] - [ 0.0032109000000000, -0.0000274700000000, -0.0018033100000000 ] - [ 0.0038690600000000, -0.0000746900000000, -0.0012765400000000 ] - [ 0.0043339600000000, -0.0000286700000000, -0.0006280400000000 ] - [ 0.0036746600000000, -0.0000749500000000, -0.0011549100000000 ] - [ 0.0037723200000000, 0.0002315600000000, -0.0012155800000000 ] - [ 0.0037718400000000, 0.0001467500000000, -0.0012156900000000 ] - [ -0.0001733100000000, -0.0000496800000000, -0.0002625800000000 ] - [ -0.0001462900000000, -0.0000133900000000, -0.0002147100000000 ] - [ -0.0001326200000000, -0.0000497600000000, -0.0001591400000000 ] - [ -0.0001595900000000, -0.0000133700000000, -0.0002070600000000 ] - [ -0.0001529400000000, 0.0000992800000000, -0.0002108900000000 ] - [ -0.0001529300000000, 0.0000267500000000, -0.0002108700000000 ] - [ 0.0153378200000000, -0.0000899300000000, 0.0093299200000000 ] - [ 0.0154608500000000, -0.0000225900000000, 0.0081621700000000 ] - [ 0.0153777100000000, -0.0000917500000000, 0.0069754200000000 ] - [ 0.0152527200000000, -0.0000227700000000, 0.0081490000000000 ] - [ 0.0153569100000000, 0.0003971000000000, 0.0081546200000000 ] - [ 0.0153567400000000, 0.0000493900000000, 0.0081552700000000 ] - [ -0.0153585900000000, -0.0000493200000000, 0.0081552200000000 ] - [ -0.0153584300000000, -0.0001002900000000, 0.0081546000000000 ] - [ -0.0152537200000000, 0.0000263500000000, 0.0081940400000000 ] - [ -0.0153559400000000, 0.0000519400000000, 0.0081626700000000 ] - [ -0.0154624100000000, 0.0000262100000000, 0.0081166700000000 ] - [ -0.0153600900000000, 0.0000521700000000, 0.0081481500000000 ] - [ -0.0153569200000000, -0.0000649800000000, -0.0081552100000000 ] - [ -0.0153569100000000, -0.0000206000000000, -0.0081548100000000 ] - [ -0.0153231100000000, 0.0000301900000000, -0.0081415200000000 ] - [ -0.0153345400000000, 0.0000086400000000, -0.0081592800000000 ] - [ -0.0153901300000000, 0.0000305600000000, -0.0081687800000000 ] - [ -0.0153786000000000, 0.0000087300000000, -0.0081514300000000 ] - [ 0.0169814400000000, 0.0003643100000000, -0.0090193300000000 ] - [ 0.0153387800000000, -0.0000810400000000, -0.0082095600000000 ] - [ 0.0137237300000000, 0.0003689700000000, -0.0072865300000000 ] - [ 0.0153771400000000, -0.0000812100000000, -0.0081008900000000 ] - [ 0.0153585400000000, 0.0004069200000000, -0.0081553500000000 ] - [ 0.0153582500000000, 0.0001573700000000, -0.0081557100000000 ] - [ 0.0004857400000000, 0.0002780700000000, -0.0004106100000000 ] - [ 0.0004854600000000, 0.0000424500000000, -0.0004108800000000 ] - [ 0.0003580400000000, -0.0001382800000000, -0.0005618600000000 ] - [ 0.0004983000000000, -0.0000211000000000, -0.0004200600000000 ] - [ 0.0006126500000000, -0.0001384600000000, -0.0002602300000000 ] - [ 0.0004722200000000, -0.0000211200000000, -0.0004020500000000 ] - [ -0.0038327600000000, 0.0029205800000000, 0.0001106300000000 ] - [ -0.0013407900000000, 0.0000654000000000, 0.0002299400000000 ] - [ 0.0014682600000000, 0.0029980400000000, 0.0003575500000000 ] - [ -0.0011283800000000, 0.0000652900000000, 0.0002475600000000 ] - [ -0.0012356800000000, -0.0005019900000000, 0.0002393900000000 ] - [ -0.0012346000000000, -0.0001314400000000, 0.0002387700000000 ] - [ -0.0002875200000000, 0.0000955300000000, -0.0006876800000000 ] - [ -0.0007060900000000, 0.0000545800000000, -0.0005495100000000 ] - [ -0.0006828800000000, 0.0000961200000000, -0.0001350100000000 ] - [ -0.0002645400000000, 0.0000543800000000, -0.0002736900000000 ] - [ -0.0004857600000000, -0.0001666300000000, -0.0004112600000000 ] - [ -0.0004852200000000, -0.0001100000000000, -0.0004113400000000 ] - [ 0.0146087000000000, 0.0000578900000000, 0.0085334000000000 ] - [ 0.0145993400000000, 0.0000181800000000, 0.0085583900000000 ] - [ 0.0145983100000000, 0.0000584600000000, 0.0086073400000000 ] - [ 0.0146077900000000, 0.0000182500000000, 0.0085826200000000 ] - [ 0.0146035700000000, -0.0001068200000000, 0.0085706800000000 ] - [ 0.0146033300000000, -0.0000362500000000, 0.0085705500000000 ] - [ -0.0146037600000000, 0.0010610600000000, 0.0085706100000000 ] - [ -0.0146032900000000, 0.0002808500000000, 0.0085705800000000 ] - [ -0.0143515300000000, -0.0005162900000000, 0.0084399800000000 ] - [ -0.0147310600000000, -0.0001393400000000, 0.0085289900000000 ] - [ -0.0148548800000000, -0.0005163000000000, 0.0087008500000000 ] - [ -0.0144757500000000, -0.0001397500000000, 0.0086123500000000 ] - [ 0.0012346600000000, 0.0000333400000000, 0.0002385300000000 ] - [ 0.0012345500000000, 0.0000314500000000, 0.0002391300000000 ] - [ 0.0012198900000000, -0.0000164700000000, 0.0002168600000000 ] - [ 0.0012413200000000, -0.0000159600000000, 0.0002409700000000 ] - [ 0.0012493000000000, -0.0000166400000000, 0.0002598400000000 ] - [ 0.0012279000000000, -0.0000159600000000, 0.0002355000000000 ] - [ 0.0146431400000000, 0.0000508900000000, -0.0085202300000000 ] - [ 0.0145255900000000, 0.0000677700000000, -0.0084988500000000 ] - [ 0.0145637700000000, 0.0000509900000000, -0.0086211100000000 ] - [ 0.0146813500000000, 0.0000678100000000, -0.0086426700000000 ] - [ 0.0146034800000000, -0.0001020200000000, -0.0085706200000000 ] - [ 0.0146035900000000, -0.0001373800000000, -0.0085707100000000 ] - [ -0.0146027900000000, 0.0011994100000000, -0.0085671700000000 ] - [ -0.0146034800000000, 0.0001137700000000, -0.0085703800000000 ] - [ -0.0146270200000000, -0.0004222500000000, -0.0083081300000000 ] - [ -0.0145871700000000, -0.0000570100000000, -0.0085646000000000 ] - [ -0.0145804700000000, -0.0004221100000000, -0.0088313600000000 ] - [ -0.0146199000000000, -0.0000571100000000, -0.0085762700000000 ] - [ -0.0005692300000000, 0.0020051700000000, -0.0010649200000000 ] - [ -0.0004886500000000, 0.0000247200000000, 0.0004308400000000 ] - [ -0.0004138600000000, 0.0020601900000000, 0.0019592800000000 ] - [ -0.0004817600000000, 0.0000247300000000, 0.0003911600000000 ] - [ -0.0004850100000000, -0.0004774900000000, 0.0004100800000000 ] - [ -0.0004846000000000, -0.0000494900000000, 0.0004111600000000 ] - [ 0.0009451000000000, 0.0029145200000000, 0.0011517800000000 ] - [ -0.0011534700000000, 0.0000593300000000, -0.0002335200000000 ] - [ -0.0035088100000000, 0.0029914400000000, -0.0016739200000000 ] - [ -0.0013154500000000, 0.0000592400000000, -0.0002436700000000 ] - [ -0.0012336900000000, -0.0005133900000000, -0.0002382400000000 ] - [ -0.0012344700000000, -0.0001194600000000, -0.0002384000000000 ] - [ 0.0004853600000000, 0.0001082300000000, 0.0004112700000000 ] - [ 0.0004857000000000, 0.0000546300000000, 0.0004113000000000 ] - [ 0.0005007300000000, -0.0000546100000000, 0.0004585100000000 ] - [ 0.0004516700000000, -0.0000271300000000, 0.0004322000000000 ] - [ 0.0004696900000000, -0.0000548200000000, 0.0003648100000000 ] - [ 0.0005186300000000, -0.0000272000000000, 0.0003909400000000 ] - [ 0.0012345600000000, 0.0000534500000000, -0.0002391800000000 ] - [ 0.0012345900000000, 0.0000174500000000, -0.0002391300000000 ] - [ 0.0012309200000000, -0.0000261700000000, -0.0003064200000000 ] - [ 0.0012302100000000, -0.0000090900000000, -0.0002406900000000 ] - [ 0.0012384900000000, -0.0000260500000000, -0.0001711800000000 ] - [ 0.0012390100000000, -0.0000090500000000, -0.0002369500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001603100000000, 0.0000000000000000, -0.0127836100000000 ] - [ 0.0001319800000000, 0.0000000000000000, 0.0001398500000000 ] - [ 0.0002207400000000, 0.0000229400000000, -0.0004992400000000 ] - [ 0.0001351200000000, -0.0000051900000000, 0.0001540900000000 ] - [ 0.0002207400000000, -0.0000229400000000, -0.0004992400000000 ] - [ 0.0001351200000000, 0.0000051900000000, 0.0001540900000000 ] - [ -0.0040802400000000, 0.0000000000000000, -0.0007017900000000 ] - [ -0.0037149800000000, 0.0000000000000000, -0.0011490000000000 ] - [ -0.0038236200000000, -0.0000879600000000, -0.0010274800000000 ] - [ -0.0037386600000000, -0.0000161400000000, -0.0011601100000000 ] - [ -0.0038236200000000, 0.0000879600000000, -0.0010274800000000 ] - [ -0.0037386600000000, 0.0000161400000000, -0.0011601100000000 ] - [ -0.0002816700000000, 0.0000000000000000, -0.0004698500000000 ] - [ 0.0005861900000000, 0.0000000000000000, -0.0004708300000000 ] - [ 0.0000375300000000, -0.0000868200000000, -0.0003368400000000 ] - [ 0.0002555800000000, -0.0001043500000000, -0.0003374800000000 ] - [ 0.0000375300000000, 0.0000868200000000, -0.0003368400000000 ] - [ 0.0002555800000000, 0.0001043500000000, -0.0003374800000000 ] - [ -0.0001151500000000, 0.0000076500000000, 0.0003763100000000 ] - [ -0.0001371900000000, 0.0000015900000000, 0.0003133000000000 ] - [ -0.0001151500000000, -0.0000076500000000, 0.0003763100000000 ] - [ -0.0001371900000000, -0.0000015900000000, 0.0003133000000000 ] - [ -0.0001226600000000, 0.0000000000000000, 0.0003334600000000 ] - [ -0.0001379300000000, 0.0000000000000000, 0.0002883800000000 ] - [ 0.0041986200000000, 0.0004354500000000, 0.0017095300000000 ] - [ 0.0036561100000000, 0.0000110000000000, 0.0012369500000000 ] - [ 0.0041986200000000, -0.0004354500000000, 0.0017095300000000 ] - [ 0.0036561100000000, -0.0000110000000000, 0.0012369500000000 ] - [ 0.0038897400000000, 0.0000000000000000, 0.0012599600000000 ] - [ 0.0037163200000000, 0.0000000000000000, 0.0012254000000000 ] - [ -0.0043121900000000, 0.0000000000000000, 0.0023733900000000 ] - [ -0.0037519500000000, 0.0000000000000000, 0.0012042400000000 ] - [ -0.0039324900000000, 0.0002822600000000, 0.0015429300000000 ] - [ -0.0037646700000000, 0.0000097600000000, 0.0011972400000000 ] - [ -0.0039324900000000, -0.0002822600000000, 0.0015429300000000 ] - [ -0.0037646700000000, -0.0000097600000000, 0.0011972400000000 ] - [ 0.0045232800000000, -0.0004240800000000, -0.0011029700000000 ] - [ 0.0035990700000000, -0.0000699100000000, -0.0012105600000000 ] - [ 0.0045232800000000, 0.0004240800000000, -0.0011029700000000 ] - [ 0.0035990700000000, 0.0000699100000000, -0.0012105600000000 ] - [ 0.0038917100000000, 0.0000000000000000, -0.0013315900000000 ] - [ 0.0036797500000000, 0.0000000000000000, -0.0012298600000000 ] - [ -0.0001589200000000, -0.0000521000000000, 0.0000382600000000 ] - [ -0.0001937500000000, -0.0000038600000000, -0.0001442400000000 ] - [ -0.0001589200000000, 0.0000521000000000, 0.0000382600000000 ] - [ -0.0001937500000000, 0.0000038600000000, -0.0001442400000000 ] - [ -0.0001650600000000, 0.0000000000000000, -0.0000628700000000 ] - [ -0.0001873400000000, 0.0000000000000000, -0.0001539500000000 ] - [ 0.0145651900000000, 0.0010348200000000, 0.0079905400000000 ] - [ 0.0154088100000000, 0.0000086400000000, 0.0080749100000000 ] - [ 0.0145651900000000, -0.0010348200000000, 0.0079905400000000 ] - [ 0.0154088100000000, -0.0000086400000000, 0.0080749100000000 ] - [ 0.0151706500000000, 0.0000000000000000, 0.0079880000000000 ] - [ 0.0153672200000000, 0.0000000000000000, 0.0080998400000000 ] - [ -0.0151174500000000, 0.0000000000000000, 0.0083619900000000 ] - [ -0.0154393400000000, 0.0000000000000000, 0.0082536800000000 ] - [ -0.0152729100000000, 0.0000182200000000, 0.0082720500000000 ] - [ -0.0154366500000000, 0.0000429000000000, 0.0082357500000000 ] - [ -0.0152729100000000, -0.0000182200000000, 0.0082720500000000 ] - [ -0.0154366500000000, -0.0000429000000000, 0.0082357500000000 ] - [ -0.0153123700000000, 0.0000000000000000, -0.0079056300000000 ] - [ -0.0154095700000000, 0.0000000000000000, -0.0080813000000000 ] - [ -0.0152973800000000, -0.0000656400000000, -0.0080040300000000 ] - [ -0.0153895100000000, -0.0000039100000000, -0.0080965400000000 ] - [ -0.0152973800000000, 0.0000656400000000, -0.0080040300000000 ] - [ -0.0153895100000000, 0.0000039100000000, -0.0080965400000000 ] - [ 0.0142730900000000, -0.0006237600000000, -0.0091517000000000 ] - [ 0.0153682300000000, -0.0000339000000000, -0.0082520800000000 ] - [ 0.0142730900000000, 0.0006237600000000, -0.0091517000000000 ] - [ 0.0153682300000000, 0.0000339000000000, -0.0082520800000000 ] - [ 0.0153888300000000, 0.0000000000000000, -0.0083828900000000 ] - [ 0.0153621000000000, 0.0000000000000000, -0.0082195300000000 ] - [ 0.0001149200000000, 0.0000000000000000, -0.0009030600000000 ] - [ 0.0005682100000000, 0.0000000000000000, -0.0004558800000000 ] - [ 0.0003206900000000, -0.0000996800000000, -0.0005706400000000 ] - [ 0.0005546900000000, -0.0000156000000000, -0.0004414400000000 ] - [ 0.0003206900000000, 0.0000996800000000, -0.0005706400000000 ] - [ 0.0005546900000000, 0.0000156000000000, -0.0004414400000000 ] - [ -0.0014548700000000, 0.0002461600000000, 0.0012470400000000 ] - [ -0.0012318600000000, 0.0000001200000000, 0.0003890400000000 ] - [ -0.0014548700000000, -0.0002461600000000, 0.0012470400000000 ] - [ -0.0012318600000000, -0.0000001200000000, 0.0003890400000000 ] - [ -0.0012418500000000, 0.0000000000000000, 0.0004600900000000 ] - [ -0.0012198600000000, 0.0000000000000000, 0.0003489700000000 ] - [ -0.0001151700000000, -0.0001664700000000, -0.0004369000000000 ] - [ -0.0006248400000000, -0.0000292500000000, -0.0004199400000000 ] - [ -0.0001151700000000, 0.0001664700000000, -0.0004369000000000 ] - [ -0.0006248400000000, 0.0000292500000000, -0.0004199400000000 ] - [ -0.0003744500000000, 0.0000000000000000, -0.0004119300000000 ] - [ -0.0005263400000000, 0.0000000000000000, -0.0003997900000000 ] - [ 0.0145517500000000, -0.0001090000000000, 0.0083114400000000 ] - [ 0.0146218200000000, -0.0000089900000000, 0.0085250400000000 ] - [ 0.0145517500000000, 0.0001090000000000, 0.0083114400000000 ] - [ 0.0146218200000000, 0.0000089900000000, 0.0085250400000000 ] - [ 0.0145768300000000, 0.0000000000000000, 0.0084506600000000 ] - [ 0.0146201800000000, 0.0000000000000000, 0.0085337900000000 ] - [ -0.0140185200000000, 0.0000000000000000, 0.0087683100000000 ] - [ -0.0147472600000000, 0.0000000000000000, 0.0086985900000000 ] - [ -0.0144523200000000, -0.0001458200000000, 0.0087656000000000 ] - [ -0.0146315200000000, -0.0000172400000000, 0.0086654800000000 ] - [ -0.0144523200000000, 0.0001458200000000, 0.0087656000000000 ] - [ -0.0146315200000000, 0.0000172400000000, 0.0086654800000000 ] - [ 0.0012264800000000, 0.0000000000000000, -0.0000558600000000 ] - [ 0.0012464100000000, 0.0000000000000000, 0.0000886600000000 ] - [ 0.0012341300000000, -0.0000006600000000, 0.0000710700000000 ] - [ 0.0012494400000000, -0.0000066100000000, 0.0001139000000000 ] - [ 0.0012341300000000, 0.0000006600000000, 0.0000710700000000 ] - [ 0.0012494400000000, 0.0000066100000000, 0.0001139000000000 ] - [ 0.0145046700000000, 0.0000449300000000, -0.0086259200000000 ] - [ 0.0147577000000000, 0.0000565100000000, -0.0087216100000000 ] - [ 0.0145046700000000, -0.0000449300000000, -0.0086259200000000 ] - [ 0.0147577000000000, -0.0000565100000000, -0.0087216100000000 ] - [ 0.0145441100000000, 0.0000000000000000, -0.0085908200000000 ] - [ 0.0146900600000000, 0.0000000000000000, -0.0086525700000000 ] - [ -0.0148003600000000, 0.0000000000000000, -0.0056063800000000 ] - [ -0.0146066200000000, 0.0000000000000000, -0.0085451000000000 ] - [ -0.0145808400000000, 0.0003331000000000, -0.0085300300000000 ] - [ -0.0146030500000000, 0.0000174300000000, -0.0085489900000000 ] - [ -0.0145808400000000, -0.0003331000000000, -0.0085300300000000 ] - [ -0.0146030500000000, -0.0000174300000000, -0.0085489900000000 ] - [ -0.0003267900000000, -0.0016273000000000, 0.0032001400000000 ] - [ -0.0004615500000000, 0.0000095500000000, 0.0004700300000000 ] - [ -0.0003267900000000, 0.0016273000000000, 0.0032001400000000 ] - [ -0.0004615500000000, -0.0000095500000000, 0.0004700300000000 ] - [ -0.0004973700000000, 0.0000000000000000, 0.0005637400000000 ] - [ -0.0004592800000000, 0.0000000000000000, 0.0004619700000000 ] - [ -0.0000391300000000, 0.0013086500000000, 0.0016325700000000 ] - [ -0.0011755800000000, -0.0000129400000000, -0.0001091100000000 ] - [ -0.0000391300000000, -0.0013086500000000, 0.0016325700000000 ] - [ -0.0011755800000000, 0.0000129400000000, -0.0001091100000000 ] - [ -0.0012758100000000, 0.0000000000000000, 0.0000229600000000 ] - [ -0.0012039900000000, 0.0000000000000000, -0.0001495600000000 ] - [ 0.0003720800000000, 0.0000000000000000, 0.0001742600000000 ] - [ 0.0005896800000000, 0.0000000000000000, 0.0003024100000000 ] - [ 0.0004212500000000, 0.0000585100000000, 0.0002730200000000 ] - [ 0.0005451300000000, 0.0000186400000000, 0.0003272800000000 ] - [ 0.0004212500000000, -0.0000585100000000, 0.0002730200000000 ] - [ 0.0005451300000000, -0.0000186400000000, 0.0003272800000000 ] - [ 0.0012141000000000, 0.0000000000000000, -0.0005921300000000 ] - [ 0.0012370600000000, 0.0000000000000000, -0.0003300800000000 ] - [ 0.0012087200000000, -0.0000029500000000, -0.0004751200000000 ] - [ 0.0012371200000000, -0.0000020900000000, -0.0003138700000000 ] - [ 0.0012087200000000, 0.0000029500000000, -0.0004751200000000 ] - [ 0.0012371200000000, 0.0000020900000000, -0.0003138700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0005053400000000, 0.0000000000000000, 0.0132024100000000 ] - [ 0.0001739600000000, 0.0000000000000000, 0.0002822800000000 ] - [ 0.0000859000000000, -0.0000272700000000, 0.0009208100000000 ] - [ 0.0001708600000000, 0.0000051600000000, 0.0002680800000000 ] - [ 0.0000859000000000, 0.0000272700000000, 0.0009208100000000 ] - [ 0.0001708600000000, -0.0000051600000000, 0.0002680800000000 ] - [ -0.0034635000000000, 0.0000000000000000, -0.0017312100000000 ] - [ -0.0038293700000000, 0.0000000000000000, -0.0012826200000000 ] - [ -0.0037203600000000, 0.0000882700000000, -0.0014044700000000 ] - [ -0.0038055800000000, 0.0000161400000000, -0.0012715200000000 ] - [ -0.0037203600000000, -0.0000882700000000, -0.0014044700000000 ] - [ -0.0038055800000000, -0.0000161400000000, -0.0012715200000000 ] - [ 0.0005860700000000, 0.0000000000000000, 0.0000504900000000 ] - [ -0.0002792400000000, 0.0000000000000000, 0.0000495400000000 ] - [ 0.0002677500000000, 0.0000861100000000, -0.0000842700000000 ] - [ 0.0000512700000000, 0.0001038000000000, -0.0000848500000000 ] - [ 0.0002677500000000, -0.0000861100000000, -0.0000842700000000 ] - [ 0.0000512700000000, -0.0001038000000000, -0.0000848500000000 ] - [ -0.0001910900000000, -0.0000078700000000, 0.0000457700000000 ] - [ -0.0001685800000000, -0.0000017300000000, 0.0001088900000000 ] - [ -0.0001910900000000, 0.0000078700000000, 0.0000457700000000 ] - [ -0.0001685800000000, 0.0000017300000000, 0.0001088900000000 ] - [ -0.0001835100000000, 0.0000000000000000, 0.0000885600000000 ] - [ -0.0001680000000000, 0.0000000000000000, 0.0001337200000000 ] - [ 0.0033429200000000, -0.0004388300000000, 0.0007195600000000 ] - [ 0.0038883200000000, -0.0000110300000000, 0.0011952100000000 ] - [ 0.0033429200000000, 0.0004388300000000, 0.0007195600000000 ] - [ 0.0038883200000000, 0.0000110300000000, 0.0011952100000000 ] - [ 0.0036539800000000, 0.0000000000000000, 0.0011723500000000 ] - [ 0.0038278700000000, 0.0000000000000000, 0.0012067400000000 ] - [ -0.0032372800000000, 0.0000000000000000, 0.0000680500000000 ] - [ -0.0037921400000000, 0.0000000000000000, 0.0012272400000000 ] - [ -0.0036115900000000, -0.0002817800000000, 0.0008890100000000 ] - [ -0.0037794200000000, -0.0000096800000000, 0.0012342700000000 ] - [ -0.0036115900000000, 0.0002817800000000, 0.0008890100000000 ] - [ -0.0037794200000000, 0.0000096800000000, 0.0012342700000000 ] - [ 0.0030241100000000, 0.0004210900000000, -0.0013297000000000 ] - [ 0.0039449100000000, 0.0000697700000000, -0.0012214900000000 ] - [ 0.0030241100000000, -0.0004210900000000, -0.0013297000000000 ] - [ 0.0039449100000000, -0.0000697700000000, -0.0012214900000000 ] - [ 0.0036524100000000, 0.0000000000000000, -0.0011008600000000 ] - [ 0.0038644000000000, 0.0000000000000000, -0.0012021900000000 ] - [ -0.0001471600000000, 0.0000514100000000, -0.0004601600000000 ] - [ -0.0001123000000000, 0.0000037900000000, -0.0002779800000000 ] - [ -0.0001471600000000, -0.0000514100000000, -0.0004601600000000 ] - [ -0.0001123000000000, -0.0000037900000000, -0.0002779800000000 ] - [ -0.0001409400000000, 0.0000000000000000, -0.0003594500000000 ] - [ -0.0001187000000000, 0.0000000000000000, -0.0002681500000000 ] - [ 0.0161591600000000, -0.0010429500000000, 0.0083227200000000 ] - [ 0.0153072800000000, -0.0000085400000000, 0.0082370600000000 ] - [ 0.0161591600000000, 0.0010429500000000, 0.0083227200000000 ] - [ 0.0153072800000000, 0.0000085400000000, 0.0082370600000000 ] - [ 0.0155462000000000, 0.0000000000000000, 0.0083251600000000 ] - [ 0.0153488900000000, 0.0000000000000000, 0.0082117300000000 ] - [ -0.0155991500000000, 0.0000000000000000, 0.0079504000000000 ] - [ -0.0152799100000000, 0.0000000000000000, 0.0080573200000000 ] - [ -0.0154460000000000, -0.0000179800000000, 0.0080393300000000 ] - [ -0.0152820300000000, -0.0000424700000000, 0.0080760900000000 ] - [ -0.0154460000000000, 0.0000179800000000, 0.0080393300000000 ] - [ -0.0152820300000000, 0.0000424700000000, 0.0080760900000000 ] - [ -0.0154039200000000, 0.0000000000000000, -0.0084059600000000 ] - [ -0.0153060700000000, 0.0000000000000000, -0.0082299900000000 ] - [ -0.0154184100000000, 0.0000656900000000, -0.0083083100000000 ] - [ -0.0153267100000000, 0.0000039200000000, -0.0082152900000000 ] - [ -0.0154184100000000, -0.0000656900000000, -0.0083083100000000 ] - [ -0.0153267100000000, -0.0000039200000000, -0.0082152900000000 ] - [ 0.0164430100000000, 0.0006222700000000, -0.0071645400000000 ] - [ 0.0153501400000000, 0.0000336000000000, -0.0080595000000000 ] - [ 0.0164430100000000, -0.0006222700000000, -0.0071645400000000 ] - [ 0.0153501400000000, -0.0000336000000000, -0.0080595000000000 ] - [ 0.0153303800000000, 0.0000000000000000, -0.0079287200000000 ] - [ 0.0153566000000000, 0.0000000000000000, -0.0080919500000000 ] - [ 0.0008528300000000, 0.0000000000000000, 0.0000768300000000 ] - [ 0.0004017600000000, 0.0000000000000000, -0.0003669800000000 ] - [ 0.0006498600000000, 0.0000994900000000, -0.0002518300000000 ] - [ 0.0004157100000000, 0.0000155100000000, -0.0003812300000000 ] - [ 0.0006498600000000, -0.0000994900000000, -0.0002518300000000 ] - [ 0.0004157100000000, -0.0000155100000000, -0.0003812300000000 ] - [ -0.0010275100000000, -0.0002363600000000, -0.0007733900000000 ] - [ -0.0012379200000000, -0.0000001600000000, 0.0000862500000000 ] - [ -0.0010275100000000, 0.0002363600000000, -0.0007733900000000 ] - [ -0.0012379200000000, 0.0000001600000000, 0.0000862500000000 ] - [ -0.0012277900000000, 0.0000000000000000, 0.0000143900000000 ] - [ -0.0012499900000000, 0.0000000000000000, 0.0001259100000000 ] - [ -0.0008559700000000, 0.0001670700000000, -0.0003879900000000 ] - [ -0.0003446000000000, 0.0000295300000000, -0.0004050100000000 ] - [ -0.0008559700000000, -0.0001670700000000, -0.0003879900000000 ] - [ -0.0003446000000000, -0.0000295300000000, -0.0004050100000000 ] - [ -0.0005962400000000, 0.0000000000000000, -0.0004121900000000 ] - [ -0.0004434800000000, 0.0000000000000000, -0.0004246700000000 ] - [ 0.0146567400000000, 0.0001091100000000, 0.0088305900000000 ] - [ 0.0145864600000000, 0.0000090300000000, 0.0086167300000000 ] - [ 0.0146567400000000, -0.0001091100000000, 0.0088305900000000 ] - [ 0.0145864600000000, -0.0000090300000000, 0.0086167300000000 ] - [ 0.0146317200000000, 0.0000000000000000, 0.0086912100000000 ] - [ 0.0145880200000000, 0.0000000000000000, 0.0086079800000000 ] - [ -0.0151877200000000, 0.0000000000000000, 0.0083753300000000 ] - [ -0.0144606600000000, 0.0000000000000000, 0.0084440300000000 ] - [ -0.0147557100000000, 0.0001452700000000, 0.0083765600000000 ] - [ -0.0145765300000000, 0.0000172700000000, 0.0084769100000000 ] - [ -0.0147557100000000, -0.0001452700000000, 0.0083765600000000 ] - [ -0.0145765300000000, -0.0000172700000000, 0.0084769100000000 ] - [ 0.0012424100000000, 0.0000000000000000, 0.0005311100000000 ] - [ 0.0012232000000000, 0.0000000000000000, 0.0003868900000000 ] - [ 0.0012352100000000, 0.0000005900000000, 0.0004037800000000 ] - [ 0.0012202000000000, 0.0000065300000000, 0.0003607500000000 ] - [ 0.0012352100000000, -0.0000005900000000, 0.0004037800000000 ] - [ 0.0012202000000000, -0.0000065300000000, 0.0003607500000000 ] - [ 0.0147030100000000, -0.0000444500000000, -0.0085159300000000 ] - [ 0.0144508500000000, -0.0000561800000000, -0.0084202500000000 ] - [ 0.0147030100000000, 0.0000444500000000, -0.0085159300000000 ] - [ 0.0144508500000000, 0.0000561800000000, -0.0084202500000000 ] - [ 0.0146638500000000, 0.0000000000000000, -0.0085508100000000 ] - [ 0.0145180900000000, 0.0000000000000000, -0.0084890900000000 ] - [ -0.0143673200000000, 0.0000000000000000, -0.0117137600000000 ] - [ -0.0146014400000000, 0.0000000000000000, -0.0085968000000000 ] - [ -0.0146278800000000, -0.0003343600000000, -0.0086127900000000 ] - [ -0.0146053500000000, -0.0000174900000000, -0.0085928900000000 ] - [ -0.0146278800000000, 0.0003343600000000, -0.0086127900000000 ] - [ -0.0146053500000000, 0.0000174900000000, -0.0085928900000000 ] - [ -0.0006586000000000, 0.0015359100000000, -0.0022869900000000 ] - [ -0.0005082000000000, -0.0000095600000000, 0.0003529800000000 ] - [ -0.0006586000000000, -0.0015359100000000, -0.0022869900000000 ] - [ -0.0005082000000000, 0.0000095600000000, 0.0003529800000000 ] - [ -0.0004724300000000, 0.0000000000000000, 0.0002595700000000 ] - [ -0.0005100600000000, 0.0000000000000000, 0.0003613100000000 ] - [ -0.0024473300000000, -0.0013255700000000, -0.0021041100000000 ] - [ -0.0012934000000000, 0.0000128200000000, -0.0003665700000000 ] - [ -0.0024473300000000, 0.0013255700000000, -0.0021041100000000 ] - [ -0.0012934000000000, -0.0000128200000000, -0.0003665700000000 ] - [ -0.0011937200000000, 0.0000000000000000, -0.0004980600000000 ] - [ -0.0012651500000000, 0.0000000000000000, -0.0003258400000000 ] - [ 0.0005985400000000, 0.0000000000000000, 0.0006498500000000 ] - [ 0.0003806500000000, 0.0000000000000000, 0.0005211100000000 ] - [ 0.0005484100000000, -0.0000586700000000, 0.0005512000000000 ] - [ 0.0004243400000000, -0.0000185600000000, 0.0004968700000000 ] - [ 0.0005484100000000, 0.0000586700000000, 0.0005512000000000 ] - [ 0.0004243400000000, 0.0000185600000000, 0.0004968700000000 ] - [ 0.0012555200000000, 0.0000000000000000, 0.0001162700000000 ] - [ 0.0012321900000000, 0.0000000000000000, -0.0001457400000000 ] - [ 0.0012609500000000, 0.0000027600000000, 0.0000009500000000 ] - [ 0.0012323200000000, 0.0000020200000000, -0.0001606700000000 ] - [ 0.0012609500000000, -0.0000027600000000, 0.0000009500000000 ] - [ 0.0012323200000000, -0.0000020200000000, -0.0001606700000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001496500000000, 0.0000000000000000, -0.0000971500000000 ] - [ 0.0002290500000000, 0.0000000000000000, 0.0002687700000000 ] - [ 0.0001158400000000, -0.0000337400000000, 0.0001598100000000 ] - [ 0.0002110600000000, 0.0000249600000000, 0.0002449300000000 ] - [ 0.0001158400000000, 0.0000337400000000, 0.0001598100000000 ] - [ 0.0002110600000000, -0.0000249600000000, 0.0002449300000000 ] - [ -0.0168506100000000, 0.0000000000000000, -0.0037787300000000 ] - [ -0.0033351700000000, 0.0000000000000000, -0.0011850200000000 ] - [ -0.0045821000000000, 0.0000539300000000, -0.0014372800000000 ] - [ -0.0034791300000000, 0.0000345800000000, -0.0011901100000000 ] - [ -0.0045821000000000, -0.0000539300000000, -0.0014372800000000 ] - [ -0.0034791300000000, -0.0000345800000000, -0.0011901100000000 ] - [ -0.0000730200000000, 0.0000000000000000, 0.0003256600000000 ] - [ 0.0003103300000000, 0.0000000000000000, -0.0002313300000000 ] - [ 0.0000379600000000, 0.0001284900000000, -0.0000514700000000 ] - [ 0.0002662800000000, -0.0000207500000000, -0.0002187300000000 ] - [ 0.0000379600000000, -0.0001284900000000, -0.0000514700000000 ] - [ 0.0002662800000000, 0.0000207500000000, -0.0002187300000000 ] - [ 0.0001964500000000, 0.0000965900000000, 0.0003840900000000 ] - [ -0.0000742000000000, -0.0005627100000000, -0.0005405200000000 ] - [ 0.0001964500000000, -0.0000965900000000, 0.0003840900000000 ] - [ -0.0000742000000000, 0.0005627100000000, -0.0005405200000000 ] - [ 0.0000505000000000, 0.0000000000000000, 0.0003036000000000 ] - [ -0.0002808400000000, 0.0000000000000000, 0.0000915200000000 ] - [ 0.0042508600000000, 0.0003046100000000, 0.0008735800000000 ] - [ 0.0042486900000000, -0.0004759200000000, 0.0016849500000000 ] - [ 0.0042508600000000, -0.0003046100000000, 0.0008735800000000 ] - [ 0.0042486900000000, 0.0004759200000000, 0.0016849500000000 ] - [ 0.0038315000000000, 0.0000000000000000, 0.0010449700000000 ] - [ 0.0038133700000000, 0.0000000000000000, 0.0013377500000000 ] - [ -0.0037658300000000, 0.0000000000000000, 0.0013507800000000 ] - [ -0.0037664200000000, 0.0000000000000000, 0.0010978400000000 ] - [ -0.0037628500000000, -0.0000093800000000, 0.0013064900000000 ] - [ -0.0037632100000000, 0.0000253300000000, 0.0011707600000000 ] - [ -0.0037628500000000, 0.0000093800000000, 0.0013064900000000 ] - [ -0.0037632100000000, -0.0000253300000000, 0.0011707600000000 ] - [ 0.0036616000000000, -0.0000141000000000, -0.0012334800000000 ] - [ 0.0038709300000000, -0.0000042900000000, -0.0012083200000000 ] - [ 0.0036616000000000, 0.0000141000000000, -0.0012334800000000 ] - [ 0.0038709300000000, 0.0000042900000000, -0.0012083200000000 ] - [ 0.0036815000000000, 0.0000000000000000, -0.0012087400000000 ] - [ 0.0038551800000000, 0.0000000000000000, -0.0012056200000000 ] - [ -0.0005452500000000, 0.0000078700000000, 0.0002162700000000 ] - [ 0.0000758200000000, -0.0000648100000000, -0.0003276600000000 ] - [ -0.0005452500000000, -0.0000078700000000, 0.0002162700000000 ] - [ 0.0000758200000000, 0.0000648100000000, -0.0003276600000000 ] - [ -0.0003741700000000, 0.0000000000000000, -0.0000934900000000 ] - [ -0.0000022500000000, 0.0000000000000000, -0.0002672700000000 ] - [ 0.0142907500000000, 0.0006448300000000, 0.0080595200000000 ] - [ 0.0155457300000000, -0.0000507600000000, 0.0081656700000000 ] - [ 0.0142907500000000, -0.0006448300000000, 0.0080595200000000 ] - [ 0.0155457300000000, 0.0000507600000000, 0.0081656700000000 ] - [ 0.0151069500000000, 0.0000000000000000, 0.0081218700000000 ] - [ 0.0155056400000000, 0.0000000000000000, 0.0081729600000000 ] - [ -0.0153863300000000, 0.0000000000000000, 0.0079296200000000 ] - [ -0.0152422000000000, 0.0000000000000000, 0.0081711800000000 ] - [ -0.0154685200000000, 0.0000388500000000, 0.0081598300000000 ] - [ -0.0152646100000000, -0.0000072200000000, 0.0081557700000000 ] - [ -0.0154685200000000, -0.0000388500000000, 0.0081598300000000 ] - [ -0.0152646100000000, 0.0000072200000000, 0.0081557700000000 ] - [ -0.0141769300000000, 0.0000000000000000, -0.0074887600000000 ] - [ -0.0140588300000000, 0.0000000000000000, -0.0088256900000000 ] - [ -0.0148729600000000, -0.0007242700000000, -0.0079266000000000 ] - [ -0.0153211800000000, 0.0001249900000000, -0.0082520700000000 ] - [ -0.0148729600000000, 0.0007242700000000, -0.0079266000000000 ] - [ -0.0153211800000000, -0.0001249900000000, -0.0082520700000000 ] - [ 0.0153863000000000, 0.0000067000000000, -0.0082376400000000 ] - [ 0.0153370600000000, -0.0000138800000000, -0.0080551000000000 ] - [ 0.0153863000000000, -0.0000067000000000, -0.0082376400000000 ] - [ 0.0153370600000000, 0.0000138800000000, -0.0080551000000000 ] - [ 0.0153686800000000, 0.0000000000000000, -0.0081783000000000 ] - [ 0.0153585300000000, 0.0000000000000000, -0.0081173100000000 ] - [ 0.0007553300000000, 0.0000000000000000, -0.0003628700000000 ] - [ 0.0003107100000000, 0.0000000000000000, -0.0003801100000000 ] - [ 0.0006349800000000, 0.0000062800000000, -0.0004452500000000 ] - [ 0.0003627600000000, -0.0000098200000000, -0.0004002500000000 ] - [ 0.0006349800000000, -0.0000062800000000, -0.0004452500000000 ] - [ 0.0003627600000000, 0.0000098200000000, -0.0004002500000000 ] - [ -0.0009417900000000, -0.0000783600000000, 0.0002487400000000 ] - [ -0.0013422900000000, 0.0000092100000000, 0.0002073700000000 ] - [ -0.0009417900000000, 0.0000783600000000, 0.0002487400000000 ] - [ -0.0013422900000000, -0.0000092100000000, 0.0002073700000000 ] - [ -0.0010992300000000, 0.0000000000000000, 0.0002813700000000 ] - [ -0.0013249000000000, 0.0000000000000000, 0.0002062600000000 ] - [ 0.0016056700000000, -0.0019190700000000, 0.0011755000000000 ] - [ -0.0007685800000000, -0.0000103700000000, -0.0003555100000000 ] - [ 0.0016056700000000, 0.0019190700000000, 0.0011755000000000 ] - [ -0.0007685800000000, 0.0000103700000000, -0.0003555100000000 ] - [ -0.0002204300000000, 0.0000000000000000, -0.0004117400000000 ] - [ -0.0006840800000000, 0.0000000000000000, -0.0003717600000000 ] - [ 0.0165019000000000, 0.0011015600000000, 0.0092570800000000 ] - [ 0.0141687700000000, 0.0003752600000000, 0.0085889200000000 ] - [ 0.0165019000000000, -0.0011015600000000, 0.0092570800000000 ] - [ 0.0141687700000000, -0.0003752600000000, 0.0085889200000000 ] - [ 0.0147332700000000, 0.0000000000000000, 0.0086031500000000 ] - [ 0.0144633400000000, 0.0000000000000000, 0.0085632500000000 ] - [ -0.0146703200000000, 0.0000000000000000, 0.0085909500000000 ] - [ -0.0145460000000000, 0.0000000000000000, 0.0085242300000000 ] - [ -0.0146593100000000, 0.0000199700000000, 0.0085840000000000 ] - [ -0.0145503100000000, -0.0000222900000000, 0.0085379000000000 ] - [ -0.0146593100000000, -0.0000199700000000, 0.0085840000000000 ] - [ -0.0145503100000000, 0.0000222900000000, 0.0085379000000000 ] - [ 0.0019128100000000, 0.0000000000000000, -0.0004582500000000 ] - [ 0.0009788800000000, 0.0000000000000000, 0.0002186500000000 ] - [ 0.0015444700000000, -0.0000667900000000, 0.0002399800000000 ] - [ 0.0010370500000000, -0.0000060300000000, 0.0002396800000000 ] - [ 0.0015444700000000, 0.0000667900000000, 0.0002399800000000 ] - [ 0.0010370500000000, 0.0000060300000000, 0.0002396800000000 ] - [ 0.0147019600000000, 0.0000607300000000, -0.0084903600000000 ] - [ 0.0144872400000000, -0.0000084500000000, -0.0086052900000000 ] - [ 0.0147019600000000, -0.0000607300000000, -0.0084903600000000 ] - [ 0.0144872400000000, 0.0000084500000000, -0.0086052900000000 ] - [ 0.0146855000000000, 0.0000000000000000, -0.0085620600000000 ] - [ 0.0145053400000000, 0.0000000000000000, -0.0085934900000000 ] - [ -0.0124824500000000, 0.0000000000000000, -0.0097318900000000 ] - [ -0.0148763000000000, 0.0000000000000000, -0.0087091800000000 ] - [ -0.0143225000000000, 0.0001124100000000, -0.0084232700000000 ] - [ -0.0147681800000000, -0.0000564800000000, -0.0086411400000000 ] - [ -0.0143225000000000, -0.0001124100000000, -0.0084232700000000 ] - [ -0.0147681800000000, 0.0000564800000000, -0.0086411400000000 ] - [ -0.0004457700000000, -0.0000209600000000, 0.0004291700000000 ] - [ -0.0005372400000000, 0.0000146000000000, 0.0003895600000000 ] - [ -0.0004457700000000, 0.0000209600000000, 0.0004291700000000 ] - [ -0.0005372400000000, -0.0000146000000000, 0.0003895600000000 ] - [ -0.0004600700000000, 0.0000000000000000, 0.0004031700000000 ] - [ -0.0005171000000000, 0.0000000000000000, 0.0004009700000000 ] - [ -0.0013463400000000, -0.0000609500000000, -0.0000817200000000 ] - [ -0.0012681900000000, 0.0000429200000000, -0.0004405300000000 ] - [ -0.0013463400000000, 0.0000609500000000, -0.0000817200000000 ] - [ -0.0012681900000000, -0.0000429200000000, -0.0004405300000000 ] - [ -0.0012735600000000, 0.0000000000000000, -0.0001900000000000 ] - [ -0.0012345800000000, 0.0000000000000000, -0.0002935600000000 ] - [ -0.0000985200000000, 0.0000000000000000, 0.0004740600000000 ] - [ 0.0023617900000000, 0.0000000000000000, 0.0003480300000000 ] - [ 0.0001343200000000, 0.0001500000000000, 0.0004622900000000 ] - [ 0.0004406000000000, -0.0002965700000000, 0.0004585300000000 ] - [ 0.0001343200000000, -0.0001500000000000, 0.0004622900000000 ] - [ 0.0004406000000000, 0.0002965700000000, 0.0004585300000000 ] - [ 0.0011037700000000, 0.0000000000000000, -0.0007540200000000 ] - [ 0.0010348300000000, 0.0000000000000000, 0.0003324700000000 ] - [ 0.0011381800000000, 0.0001249400000000, -0.0005679500000000 ] - [ 0.0011781200000000, -0.0000880900000000, -0.0001035400000000 ] - [ 0.0011381800000000, -0.0001249400000000, -0.0005679500000000 ] - [ 0.0011781200000000, 0.0000880900000000, -0.0001035400000000 ]- atom: 7 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001565300000000, 0.0000000000000000, 0.0005188100000000 ] - [ 0.0000766700000000, 0.0000000000000000, 0.0001535300000000 ] - [ 0.0001905200000000, 0.0000336000000000, 0.0002622000000000 ] - [ 0.0000946700000000, -0.0000249900000000, 0.0001772400000000 ] - [ 0.0001905200000000, -0.0000336000000000, 0.0002622000000000 ] - [ 0.0000946700000000, 0.0000249900000000, 0.0001772400000000 ] - [ 0.0093374800000000, 0.0000000000000000, 0.0013364700000000 ] - [ -0.0042086600000000, 0.0000000000000000, -0.0012464100000000 ] - [ -0.0029608800000000, -0.0000584100000000, -0.0009936500000000 ] - [ -0.0040640900000000, -0.0000343300000000, -0.0012414800000000 ] - [ -0.0029608800000000, 0.0000584100000000, -0.0009936500000000 ] - [ -0.0040640900000000, 0.0000343300000000, -0.0012414800000000 ] - [ 0.0003776400000000, 0.0000000000000000, -0.0007482700000000 ] - [ -0.0000040000000000, 0.0000000000000000, -0.0001904300000000 ] - [ 0.0002679800000000, -0.0001292900000000, -0.0003715300000000 ] - [ 0.0000400000000000, 0.0000208000000000, -0.0002031200000000 ] - [ 0.0002679800000000, 0.0001292900000000, -0.0003715300000000 ] - [ 0.0000400000000000, -0.0000208000000000, -0.0002031200000000 ] - [ -0.0005027700000000, -0.0000978100000000, 0.0000375100000000 ] - [ -0.0002334200000000, 0.0005603100000000, 0.0009579800000000 ] - [ -0.0005027700000000, 0.0000978100000000, 0.0000375100000000 ] - [ -0.0002334200000000, -0.0005603100000000, 0.0009579800000000 ] - [ -0.0003562300000000, 0.0000000000000000, 0.0001183600000000 ] - [ -0.0000258600000000, 0.0000000000000000, 0.0003300400000000 ] - [ 0.0032907400000000, -0.0003067200000000, 0.0015599400000000 ] - [ 0.0032969900000000, 0.0004725500000000, 0.0007499800000000 ] - [ 0.0032907400000000, 0.0003067200000000, 0.0015599400000000 ] - [ 0.0032969900000000, -0.0004725500000000, 0.0007499800000000 ] - [ 0.0037123800000000, 0.0000000000000000, 0.0013865900000000 ] - [ 0.0037297500000000, 0.0000000000000000, 0.0010944900000000 ] - [ -0.0037773400000000, 0.0000000000000000, 0.0010802400000000 ] - [ -0.0037778800000000, 0.0000000000000000, 0.0013334000000000 ] - [ -0.0037804700000000, 0.0000094500000000, 0.0011251000000000 ] - [ -0.0037808000000000, -0.0000254100000000, 0.0012606400000000 ] - [ -0.0037804700000000, -0.0000094500000000, 0.0011251000000000 ] - [ -0.0037808000000000, 0.0000254100000000, 0.0012606400000000 ] - [ 0.0038820400000000, 0.0000142900000000, -0.0011979900000000 ] - [ 0.0036726700000000, 0.0000042500000000, -0.0012234000000000 ] - [ 0.0038820400000000, -0.0000142900000000, -0.0011979900000000 ] - [ 0.0036726700000000, -0.0000042500000000, -0.0012234000000000 ] - [ 0.0038621500000000, 0.0000000000000000, -0.0012229400000000 ] - [ 0.0036884500000000, 0.0000000000000000, -0.0012260600000000 ] - [ 0.0002412200000000, -0.0000075000000000, -0.0006385700000000 ] - [ -0.0003816400000000, 0.0000644700000000, -0.0000946400000000 ] - [ 0.0002412200000000, 0.0000075000000000, -0.0006385700000000 ] - [ -0.0003816400000000, -0.0000644700000000, -0.0000946400000000 ] - [ 0.0000682300000000, 0.0000000000000000, -0.0003284300000000 ] - [ -0.0003036900000000, 0.0000000000000000, -0.0001548700000000 ] - [ 0.0164290500000000, -0.0006445800000000, 0.0082497900000000 ] - [ 0.0151708900000000, 0.0000507800000000, 0.0081453300000000 ] - [ 0.0164290500000000, 0.0006445800000000, 0.0082497900000000 ] - [ 0.0151708900000000, -0.0000507800000000, 0.0081453300000000 ] - [ 0.0156104500000000, 0.0000000000000000, 0.0081891100000000 ] - [ 0.0152110900000000, 0.0000000000000000, 0.0081379500000000 ] - [ -0.0153339300000000, 0.0000000000000000, 0.0083860500000000 ] - [ -0.0154775000000000, 0.0000000000000000, 0.0081389400000000 ] - [ -0.0152506400000000, -0.0000389900000000, 0.0081509600000000 ] - [ -0.0154546200000000, 0.0000073400000000, 0.0081550000000000 ] - [ -0.0152506400000000, 0.0000389900000000, 0.0081509600000000 ] - [ -0.0154546200000000, -0.0000073400000000, 0.0081550000000000 ] - [ -0.0165617600000000, 0.0000000000000000, -0.0088355900000000 ] - [ -0.0166559000000000, 0.0000000000000000, -0.0074847100000000 ] - [ -0.0158421500000000, 0.0007219100000000, -0.0083834000000000 ] - [ -0.0153956500000000, -0.0001245200000000, -0.0080591900000000 ] - [ -0.0158421500000000, -0.0007219100000000, -0.0083834000000000 ] - [ -0.0153956500000000, 0.0001245200000000, -0.0080591900000000 ] - [ 0.0153332600000000, -0.0000067000000000, -0.0080730800000000 ] - [ 0.0153821200000000, 0.0000140100000000, -0.0082553300000000 ] - [ 0.0153332600000000, 0.0000067000000000, -0.0080730800000000 ] - [ 0.0153821200000000, -0.0000140100000000, -0.0082553300000000 ] - [ 0.0153516200000000, 0.0000000000000000, -0.0081318600000000 ] - [ 0.0153605500000000, 0.0000000000000000, -0.0081941100000000 ] - [ 0.0002159000000000, 0.0000000000000000, -0.0004595100000000 ] - [ 0.0006614600000000, 0.0000000000000000, -0.0004410600000000 ] - [ 0.0003370000000000, -0.0000061100000000, -0.0003763400000000 ] - [ 0.0006093900000000, 0.0000097500000000, -0.0004212000000000 ] - [ 0.0003370000000000, 0.0000061100000000, -0.0003763400000000 ] - [ 0.0006093900000000, -0.0000097500000000, -0.0004212000000000 ] - [ -0.0015282900000000, 0.0000784700000000, 0.0002262600000000 ] - [ -0.0011273400000000, -0.0000091600000000, 0.0002673900000000 ] - [ -0.0015282900000000, -0.0000784700000000, 0.0002262600000000 ] - [ -0.0011273400000000, 0.0000091600000000, 0.0002673900000000 ] - [ -0.0013706900000000, 0.0000000000000000, 0.0001940600000000 ] - [ -0.0011447900000000, 0.0000000000000000, 0.0002683200000000 ] - [ -0.0025786900000000, 0.0018932500000000, -0.0019734100000000 ] - [ -0.0002034500000000, 0.0000107300000000, -0.0004675700000000 ] - [ -0.0025786900000000, -0.0018932500000000, -0.0019734100000000 ] - [ -0.0002034500000000, -0.0000107300000000, -0.0004675700000000 ] - [ -0.0007519800000000, 0.0000000000000000, -0.0004106200000000 ] - [ -0.0002885000000000, 0.0000000000000000, -0.0004506900000000 ] - [ 0.0126447800000000, -0.0011676700000000, 0.0078510800000000 ] - [ 0.0150386100000000, -0.0003749100000000, 0.0085525800000000 ] - [ 0.0126447800000000, 0.0011676700000000, 0.0078510800000000 ] - [ 0.0150386100000000, 0.0003749100000000, 0.0085525800000000 ] - [ 0.0144730800000000, 0.0000000000000000, 0.0085377100000000 ] - [ 0.0147440700000000, 0.0000000000000000, 0.0085782600000000 ] - [ -0.0145374200000000, 0.0000000000000000, 0.0085504500000000 ] - [ -0.0146611000000000, 0.0000000000000000, 0.0086173000000000 ] - [ -0.0145484400000000, -0.0000199600000000, 0.0085573800000000 ] - [ -0.0146570400000000, 0.0000223700000000, 0.0086036300000000 ] - [ -0.0145484400000000, 0.0000199600000000, 0.0085573800000000 ] - [ -0.0146570400000000, -0.0000223700000000, 0.0086036300000000 ] - [ 0.0005529400000000, 0.0000000000000000, 0.0009358600000000 ] - [ 0.0014906700000000, 0.0000000000000000, 0.0002575500000000 ] - [ 0.0009253500000000, 0.0000672700000000, 0.0002345600000000 ] - [ 0.0014323200000000, 0.0000058200000000, 0.0002351800000000 ] - [ 0.0009253500000000, -0.0000672700000000, 0.0002345600000000 ] - [ 0.0014323200000000, -0.0000058200000000, 0.0002351800000000 ] - [ 0.0145063900000000, -0.0000619900000000, -0.0086516600000000 ] - [ 0.0147200100000000, 0.0000086300000000, -0.0085358900000000 ] - [ 0.0145063900000000, 0.0000619900000000, -0.0086516600000000 ] - [ 0.0147200100000000, -0.0000086300000000, -0.0085358900000000 ] - [ 0.0145223100000000, 0.0000000000000000, -0.0085794800000000 ] - [ 0.0147020300000000, 0.0000000000000000, -0.0085479400000000 ] - [ -0.0167783000000000, 0.0000000000000000, -0.0073423200000000 ] - [ -0.0143317300000000, 0.0000000000000000, -0.0084327800000000 ] - [ -0.0148858000000000, -0.0001127300000000, -0.0087184500000000 ] - [ -0.0144397000000000, 0.0000560700000000, -0.0085004600000000 ] - [ -0.0148858000000000, 0.0001127300000000, -0.0087184500000000 ] - [ -0.0144397000000000, -0.0000560700000000, -0.0085004600000000 ] - [ -0.0005268900000000, 0.0000208600000000, 0.0003923900000000 ] - [ -0.0004346200000000, -0.0000146200000000, 0.0004320700000000 ] - [ -0.0005268900000000, -0.0000208600000000, 0.0003923900000000 ] - [ -0.0004346200000000, 0.0000146200000000, 0.0004320700000000 ] - [ -0.0005124700000000, 0.0000000000000000, 0.0004183100000000 ] - [ -0.0004544400000000, 0.0000000000000000, 0.0004207300000000 ] - [ -0.0011235800000000, 0.0000608300000000, -0.0003934900000000 ] - [ -0.0012002800000000, -0.0000427600000000, -0.0000350300000000 ] - [ -0.0011235800000000, -0.0000608300000000, -0.0003934900000000 ] - [ -0.0012002800000000, 0.0000427600000000, -0.0000350300000000 ] - [ -0.0011961700000000, 0.0000000000000000, -0.0002850600000000 ] - [ -0.0012343500000000, 0.0000000000000000, -0.0001816200000000 ] - [ 0.0010728300000000, 0.0000000000000000, 0.0003482100000000 ] - [ -0.0012234800000000, 0.0000000000000000, 0.0004455100000000 ] - [ 0.0008360700000000, -0.0001499000000000, 0.0003608100000000 ] - [ 0.0005317600000000, 0.0002950600000000, 0.0003640600000000 ] - [ 0.0008360700000000, 0.0001499000000000, 0.0003608100000000 ] - [ 0.0005317600000000, -0.0002950600000000, 0.0003640600000000 ] - [ 0.0013656300000000, 0.0000000000000000, 0.0002805700000000 ] - [ 0.0014341000000000, 0.0000000000000000, -0.0008053500000000 ] - [ 0.0013308400000000, -0.0001247200000000, 0.0000924300000000 ] - [ 0.0012916300000000, 0.0000878100000000, -0.0003709800000000 ] - [ 0.0013308400000000, 0.0001247200000000, 0.0000924300000000 ] - [ 0.0012916300000000, -0.0000878100000000, -0.0003709800000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001528400000000, -0.0001503800000000, 0.0002096700000000 ] - [ 0.0001529400000000, -0.0000823500000000, 0.0002097900000000 ] - [ 0.0000834400000000, 0.0000794800000000, 0.0002982100000000 ] - [ 0.0001818400000000, 0.0000409400000000, 0.0002259900000000 ] - [ 0.0002221500000000, 0.0000796800000000, 0.0001219700000000 ] - [ 0.0001240200000000, 0.0000411600000000, 0.0001936900000000 ] - [ -0.0037733000000000, -0.0159760000000000, -0.0013129400000000 ] - [ -0.0037735100000000, -0.0000340700000000, -0.0012168500000000 ] - [ -0.0038296600000000, 0.0019622900000000, -0.0012265500000000 ] - [ -0.0038077100000000, 0.0000175900000000, -0.0012095000000000 ] - [ -0.0037173300000000, 0.0019441100000000, -0.0012062800000000 ] - [ -0.0037388700000000, 0.0000177600000000, -0.0012241800000000 ] - [ 0.0001529300000000, -0.0007305900000000, -0.0002104600000000 ] - [ 0.0001528900000000, -0.0000403300000000, -0.0002098100000000 ] - [ 0.0002311200000000, 0.0003491000000000, 0.0000722700000000 ] - [ 0.0001413300000000, 0.0000201500000000, -0.0002000600000000 ] - [ 0.0000756200000000, 0.0003497800000000, -0.0004917300000000 ] - [ 0.0001643700000000, 0.0000202800000000, -0.0002195100000000 ] - [ -0.0000173800000000, -0.0000748800000000, 0.0002796500000000 ] - [ -0.0005642300000000, -0.0000263000000000, 0.0006317900000000 ] - [ -0.0002885500000000, -0.0000746800000000, 0.0001399400000000 ] - [ 0.0002592200000000, -0.0000297100000000, -0.0002134500000000 ] - [ -0.0001529700000000, 0.0001467900000000, 0.0002097900000000 ] - [ -0.0001525400000000, 0.0002315600000000, 0.0002095000000000 ] - [ 0.0040784100000000, -0.0000964400000000, 0.0009888000000000 ] - [ 0.0032992100000000, -0.0000717400000000, 0.0012382500000000 ] - [ 0.0034672400000000, -0.0000969900000000, 0.0014449100000000 ] - [ 0.0042476200000000, -0.0000733300000000, 0.0011950800000000 ] - [ 0.0037728000000000, 0.0002189200000000, 0.0012165400000000 ] - [ 0.0037736300000000, 0.0001799000000000, 0.0012170700000000 ] - [ -0.0037731500000000, -0.0000365700000000, 0.0012168600000000 ] - [ -0.0037733700000000, -0.0000365600000000, 0.0012170100000000 ] - [ -0.0037986500000000, 0.0000181900000000, 0.0011776700000000 ] - [ -0.0037638500000000, 0.0000180400000000, 0.0012092000000000 ] - [ -0.0037480000000000, 0.0000182300000000, 0.0012561200000000 ] - [ -0.0037826900000000, 0.0000183800000000, 0.0012243500000000 ] - [ 0.0037591200000000, -0.0000326600000000, -0.0012686100000000 ] - [ 0.0037689400000000, -0.0000074300000000, -0.0012179400000000 ] - [ 0.0037875500000000, -0.0000330300000000, -0.0011644100000000 ] - [ 0.0037774700000000, -0.0000074600000000, -0.0012155200000000 ] - [ 0.0037733100000000, 0.0000671000000000, -0.0012167500000000 ] - [ 0.0037732600000000, 0.0000145200000000, -0.0012167100000000 ] - [ -0.0001304000000000, -0.0000825500000000, 0.0002269000000000 ] - [ -0.0001634600000000, -0.0000222700000000, -0.0001986600000000 ] - [ -0.0001750000000000, -0.0000843600000000, -0.0006474100000000 ] - [ -0.0001426800000000, -0.0000225300000000, -0.0002207200000000 ] - [ -0.0001533600000000, 0.0002216700000000, -0.0002100500000000 ] - [ -0.0001528700000000, 0.0000451500000000, -0.0002098100000000 ] - [ 0.0162915500000000, -0.0001009000000000, 0.0074584200000000 ] - [ 0.0153703000000000, -0.0000234600000000, 0.0081514800000000 ] - [ 0.0144132000000000, -0.0001016200000000, 0.0088568800000000 ] - [ 0.0153363500000000, -0.0000235200000000, 0.0081589800000000 ] - [ 0.0153532800000000, 0.0003735500000000, 0.0081557100000000 ] - [ 0.0153536000000000, 0.0000503100000000, 0.0081551500000000 ] - [ -0.0153554300000000, -0.0000016200000000, 0.0081577300000000 ] - [ -0.0153551900000000, -0.0000228700000000, 0.0081550300000000 ] - [ -0.0152895500000000, 0.0000198200000000, 0.0079686300000000 ] - [ -0.0153487800000000, 0.0000131800000000, 0.0081396000000000 ] - [ -0.0154195600000000, 0.0000208500000000, 0.0083401200000000 ] - [ -0.0153612600000000, 0.0000130900000000, 0.0081706400000000 ] - [ -0.0153528500000000, -0.0014338700000000, -0.0081551600000000 ] - [ -0.0153549600000000, -0.0000045900000000, -0.0081541600000000 ] - [ -0.0156081900000000, 0.0007366200000000, -0.0082838500000000 ] - [ -0.0151684300000000, 0.0000156500000000, -0.0082220500000000 ] - [ -0.0150979400000000, 0.0007402500000000, -0.0080262700000000 ] - [ -0.0155373500000000, 0.0000162900000000, -0.0080886800000000 ] - [ 0.0153854300000000, -0.0000098000000000, -0.0081746500000000 ] - [ 0.0153774000000000, -0.0000314600000000, -0.0082547700000000 ] - [ 0.0153242600000000, -0.0000096800000000, -0.0081356800000000 ] - [ 0.0153322000000000, -0.0000312600000000, -0.0080554100000000 ] - [ 0.0153547600000000, 0.0000157500000000, -0.0081549000000000 ] - [ 0.0153547600000000, 0.0000582700000000, -0.0081544500000000 ] - [ 0.0004853000000000, 0.0000800400000000, -0.0004132700000000 ] - [ 0.0004858800000000, 0.0000164400000000, -0.0004125400000000 ] - [ 0.0004965000000000, -0.0000417000000000, -0.0003437300000000 ] - [ 0.0004767200000000, -0.0000083900000000, -0.0004051700000000 ] - [ 0.0004745100000000, -0.0000419500000000, -0.0004811600000000 ] - [ 0.0004945900000000, -0.0000084500000000, -0.0004201700000000 ] - [ -0.0013188200000000, 0.0000923600000000, 0.0006013900000000 ] - [ -0.0012290500000000, 0.0000120200000000, 0.0002472800000000 ] - [ -0.0011487600000000, 0.0000926700000000, -0.0001195800000000 ] - [ -0.0012386000000000, 0.0000120300000000, 0.0002356400000000 ] - [ -0.0012340800000000, -0.0001611000000000, 0.0002411600000000 ] - [ -0.0012336600000000, -0.0000238200000000, 0.0002414600000000 ] - [ -0.0026848200000000, 0.0040199700000000, -0.0033747500000000 ] - [ -0.0005243500000000, 0.0000220000000000, -0.0004028200000000 ] - [ 0.0017826300000000, 0.0041194800000000, 0.0026677000000000 ] - [ -0.0004461700000000, 0.0000220500000000, -0.0004236200000000 ] - [ -0.0004859300000000, -0.0004863900000000, -0.0004144900000000 ] - [ -0.0004856400000000, -0.0000443100000000, -0.0004129000000000 ] - [ 0.0158338600000000, 0.0020068700000000, 0.0091380400000000 ] - [ 0.0146209100000000, 0.0000948700000000, 0.0085488400000000 ] - [ 0.0133153600000000, 0.0020651300000000, 0.0079806900000000 ] - [ 0.0145971900000000, 0.0000965400000000, 0.0086006900000000 ] - [ 0.0146094700000000, -0.0005812300000000, 0.0085751000000000 ] - [ 0.0146083400000000, -0.0001440100000000, 0.0085747800000000 ] - [ -0.0146087400000000, 0.0000411500000000, 0.0085747300000000 ] - [ -0.0146089100000000, 0.0000999700000000, 0.0085746000000000 ] - [ -0.0146009100000000, -0.0000203500000000, 0.0085752500000000 ] - [ -0.0146273800000000, -0.0000489800000000, 0.0085352000000000 ] - [ -0.0146165400000000, -0.0000204100000000, 0.0085742500000000 ] - [ -0.0145902800000000, -0.0000489100000000, 0.0086142500000000 ] - [ 0.0012329600000000, 0.0004476200000000, 0.0002469400000000 ] - [ 0.0012335300000000, 0.0000354700000000, 0.0002419600000000 ] - [ 0.0011434700000000, -0.0002636700000000, 0.0006275700000000 ] - [ 0.0012494200000000, -0.0000173400000000, 0.0002628300000000 ] - [ 0.0013234700000000, -0.0002630800000000, -0.0001410100000000 ] - [ 0.0012181100000000, -0.0000174600000000, 0.0002198600000000 ] - [ 0.0146038300000000, 0.0000920800000000, -0.0085932500000000 ] - [ 0.0145972000000000, 0.0000219800000000, -0.0085834200000000 ] - [ 0.0146140000000000, 0.0000942100000000, -0.0085570400000000 ] - [ 0.0146203000000000, 0.0000221200000000, -0.0085662700000000 ] - [ 0.0146086300000000, -0.0001473400000000, -0.0085744900000000 ] - [ 0.0146088500000000, -0.0000444800000000, -0.0085748500000000 ] - [ -0.0146030600000000, 0.0011139200000000, -0.0085792900000000 ] - [ -0.0146085100000000, 0.0000869300000000, -0.0085745100000000 ] - [ -0.0144063800000000, -0.0004029900000000, -0.0087182400000000 ] - [ -0.0146447800000000, -0.0000432900000000, -0.0085907800000000 ] - [ -0.0148099700000000, -0.0004023500000000, -0.0084322300000000 ] - [ -0.0145727800000000, -0.0000435100000000, -0.0085586100000000 ] - [ -0.0005276900000000, 0.0000231100000000, 0.0004346900000000 ] - [ -0.0004590000000000, 0.0000132000000000, 0.0004466400000000 ] - [ -0.0004431400000000, 0.0000235600000000, 0.0003906600000000 ] - [ -0.0005124100000000, 0.0000133900000000, 0.0003785900000000 ] - [ -0.0004854600000000, -0.0000467800000000, 0.0004125200000000 ] - [ -0.0004855900000000, -0.0000267100000000, 0.0004126100000000 ] - [ -0.0012675800000000, 0.0000339100000000, -0.0001960200000000 ] - [ -0.0011002200000000, 0.0000517700000000, -0.0000343000000000 ] - [ -0.0012001700000000, 0.0000340200000000, -0.0002868200000000 ] - [ -0.0013673900000000, 0.0000516500000000, -0.0004490000000000 ] - [ -0.0012336200000000, -0.0000620800000000, -0.0002417200000000 ] - [ -0.0012336300000000, -0.0001067900000000, -0.0002420000000000 ] - [ 0.0004863500000000, 0.0002906800000000, 0.0004131200000000 ] - [ 0.0004826500000000, 0.0005416900000000, 0.0004136100000000 ] - [ 0.0007214200000000, -0.0001499100000000, 0.0003640400000000 ] - [ 0.0001282700000000, -0.0002374700000000, 0.0005117800000000 ] - [ 0.0002488400000000, -0.0001505300000000, 0.0004629200000000 ] - [ 0.0008402000000000, -0.0002367600000000, 0.0003147600000000 ] - [ 0.0012342300000000, 0.0002790200000000, -0.0002411400000000 ] - [ 0.0012342800000000, 0.0000660000000000, -0.0002422900000000 ] - [ 0.0013343400000000, -0.0001451700000000, -0.0000294700000000 ] - [ 0.0011884900000000, -0.0000362600000000, -0.0001816500000000 ] - [ 0.0011335400000000, -0.0001458800000000, -0.0004542100000000 ] - [ 0.0012790200000000, -0.0000366400000000, -0.0003008000000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001160300000000, 0.0000000000000000, 0.0007255100000000 ] - [ 0.0002519000000000, 0.0000000000000000, 0.0002776300000000 ] - [ -0.0000104800000000, 0.0001072900000000, 0.0003993700000000 ] - [ 0.0002250700000000, 0.0000291400000000, 0.0002664900000000 ] - [ -0.0000104800000000, -0.0001072900000000, 0.0003993700000000 ] - [ 0.0002250700000000, -0.0000291400000000, 0.0002664900000000 ] - [ -0.0063625400000000, 0.0000000000000000, -0.0187981600000000 ] - [ -0.0037412600000000, 0.0000000000000000, -0.0013294200000000 ] - [ -0.0039937000000000, 0.0000078400000000, -0.0021473800000000 ] - [ -0.0037461400000000, -0.0000073600000000, -0.0013162700000000 ] - [ -0.0039937000000000, -0.0000078400000000, -0.0021473800000000 ] - [ -0.0037461400000000, 0.0000073600000000, -0.0013162700000000 ] - [ 0.0006910000000000, 0.0000000000000000, 0.0009460900000000 ] - [ 0.0000559300000000, 0.0000000000000000, -0.0002224600000000 ] - [ 0.0003329200000000, 0.0003083400000000, 0.0001156600000000 ] - [ 0.0000903600000000, 0.0000212800000000, -0.0002294000000000 ] - [ 0.0003329200000000, -0.0003083400000000, 0.0001156600000000 ] - [ 0.0000903600000000, -0.0000212800000000, -0.0002294000000000 ] - [ 0.0000183300000000, 0.0000606700000000, 0.0002165100000000 ] - [ -0.0009563700000000, 0.0005862000000000, 0.0003243700000000 ] - [ 0.0000183300000000, -0.0000606700000000, 0.0002165100000000 ] - [ -0.0009563700000000, -0.0005862000000000, 0.0003243700000000 ] - [ -0.0000698800000000, 0.0000000000000000, 0.0001971400000000 ] - [ -0.0002848700000000, 0.0000000000000000, 0.0000957200000000 ] - [ 0.0034285900000000, -0.0002281100000000, 0.0006581100000000 ] - [ 0.0042390100000000, 0.0000217500000000, 0.0008981900000000 ] - [ 0.0034285900000000, 0.0002281100000000, 0.0006581100000000 ] - [ 0.0042390100000000, -0.0000217500000000, 0.0008981900000000 ] - [ 0.0036008300000000, 0.0000000000000000, 0.0009425200000000 ] - [ 0.0038933300000000, 0.0000000000000000, 0.0010766500000000 ] - [ -0.0036542400000000, 0.0000000000000000, 0.0014616400000000 ] - [ -0.0039069000000000, 0.0000000000000000, 0.0014616700000000 ] - [ -0.0037270500000000, -0.0000075200000000, 0.0013890300000000 ] - [ -0.0038623800000000, -0.0000392100000000, 0.0013888600000000 ] - [ -0.0037270500000000, 0.0000075200000000, 0.0013890300000000 ] - [ -0.0038623800000000, 0.0000392100000000, 0.0013888600000000 ] - [ 0.0037895200000000, 0.0000520500000000, -0.0007487800000000 ] - [ 0.0037642000000000, 0.0000012100000000, -0.0011156000000000 ] - [ 0.0037895200000000, -0.0000520500000000, -0.0007487800000000 ] - [ 0.0037642000000000, -0.0000012100000000, -0.0011156000000000 ] - [ 0.0037646600000000, 0.0000000000000000, -0.0009430300000000 ] - [ 0.0037615200000000, 0.0000000000000000, -0.0011255100000000 ] - [ 0.0002932600000000, 0.0005345600000000, 0.0002823200000000 ] - [ -0.0002044700000000, 0.0000300200000000, -0.0001898100000000 ] - [ 0.0002932600000000, -0.0005345600000000, 0.0002823200000000 ] - [ -0.0002044700000000, -0.0000300200000000, -0.0001898100000000 ] - [ -0.0000878900000000, 0.0000000000000000, -0.0001669000000000 ] - [ -0.0001795000000000, 0.0000000000000000, -0.0002014100000000 ] - [ 0.0149849300000000, -0.0008588600000000, 0.0089902700000000 ] - [ 0.0153802100000000, -0.0000041900000000, 0.0081358200000000 ] - [ 0.0149849300000000, 0.0008588600000000, 0.0089902700000000 ] - [ 0.0153802100000000, 0.0000041900000000, 0.0081358200000000 ] - [ 0.0154881000000000, 0.0000000000000000, 0.0082458500000000 ] - [ 0.0153856400000000, 0.0000000000000000, 0.0081403900000000 ] - [ -0.0155798800000000, 0.0000000000000000, 0.0095674900000000 ] - [ -0.0153409400000000, 0.0000000000000000, 0.0081888800000000 ] - [ -0.0152895600000000, -0.0001217500000000, 0.0082627600000000 ] - [ -0.0153371700000000, -0.0000105900000000, 0.0081794000000000 ] - [ -0.0152895600000000, 0.0001217500000000, 0.0082627600000000 ] - [ -0.0153371700000000, 0.0000105900000000, 0.0081794000000000 ] - [ -0.0146387200000000, 0.0000000000000000, -0.0081389500000000 ] - [ -0.0154847200000000, 0.0000000000000000, -0.0081699700000000 ] - [ -0.0151179500000000, -0.0004016100000000, -0.0080897800000000 ] - [ -0.0152997100000000, -0.0000302500000000, -0.0082516800000000 ] - [ -0.0151179500000000, 0.0004016100000000, -0.0080897800000000 ] - [ -0.0152997100000000, 0.0000302500000000, -0.0082516800000000 ] - [ 0.0153411800000000, -0.0000043400000000, -0.0080147900000000 ] - [ 0.0153812500000000, -0.0000166300000000, -0.0079701700000000 ] - [ 0.0153411800000000, 0.0000043400000000, -0.0080147900000000 ] - [ 0.0153812500000000, 0.0000166300000000, -0.0079701700000000 ] - [ 0.0153588400000000, 0.0000000000000000, -0.0080740500000000 ] - [ 0.0153903900000000, 0.0000000000000000, -0.0080610700000000 ] - [ 0.0002066900000000, 0.0000000000000000, -0.0010081900000000 ] - [ 0.0005005600000000, 0.0000000000000000, -0.0004942100000000 ] - [ 0.0004297500000000, 0.0000706500000000, -0.0006238500000000 ] - [ 0.0004863600000000, 0.0000042900000000, -0.0004805800000000 ] - [ 0.0004297500000000, -0.0000706500000000, -0.0006238500000000 ] - [ 0.0004863600000000, -0.0000042900000000, -0.0004805800000000 ] - [ -0.0012356200000000, 0.0001579700000000, -0.0003761400000000 ] - [ -0.0012413800000000, 0.0000061600000000, 0.0002279200000000 ] - [ -0.0012356200000000, -0.0001579700000000, -0.0003761400000000 ] - [ -0.0012413800000000, -0.0000061600000000, 0.0002279200000000 ] - [ -0.0012227900000000, 0.0000000000000000, 0.0000719300000000 ] - [ -0.0012416300000000, 0.0000000000000000, 0.0002282600000000 ] - [ 0.0013695500000000, -0.0031563500000000, 0.0030249300000000 ] - [ -0.0004730700000000, -0.0000001900000000, -0.0003148500000000 ] - [ 0.0013695500000000, 0.0031563500000000, 0.0030249300000000 ] - [ -0.0004730700000000, 0.0000001900000000, -0.0003148500000000 ] - [ -0.0005354700000000, 0.0000000000000000, -0.0002417600000000 ] - [ -0.0004932300000000, 0.0000000000000000, -0.0003255600000000 ] - [ 0.0151473300000000, 0.0003408700000000, 0.0093377300000000 ] - [ 0.0146390600000000, -0.0000872700000000, 0.0086629100000000 ] - [ 0.0151473300000000, -0.0003408700000000, 0.0093377300000000 ] - [ 0.0146390600000000, 0.0000872700000000, 0.0086629100000000 ] - [ 0.0146632200000000, 0.0000000000000000, 0.0087641700000000 ] - [ 0.0145894700000000, 0.0000000000000000, 0.0086393500000000 ] - [ -0.0145683600000000, 0.0000000000000000, 0.0084692700000000 ] - [ -0.0146371800000000, 0.0000000000000000, 0.0082987100000000 ] - [ -0.0145725600000000, -0.0000198200000000, 0.0084860900000000 ] - [ -0.0146236300000000, -0.0000219500000000, 0.0083808600000000 ] - [ -0.0145725600000000, 0.0000198200000000, 0.0084860900000000 ] - [ -0.0146236300000000, 0.0000219500000000, 0.0083808600000000 ] - [ 0.0006219300000000, 0.0000000000000000, 0.0043535300000000 ] - [ 0.0012064000000000, 0.0000000000000000, 0.0002271700000000 ] - [ 0.0012866900000000, 0.0003341400000000, 0.0001845300000000 ] - [ 0.0012106000000000, 0.0000136600000000, 0.0002311800000000 ] - [ 0.0012866900000000, -0.0003341400000000, 0.0001845300000000 ] - [ 0.0012106000000000, -0.0000136600000000, 0.0002311800000000 ] - [ 0.0147945200000000, -0.0003554300000000, -0.0089400900000000 ] - [ 0.0145691700000000, -0.0000206500000000, -0.0086380400000000 ] - [ 0.0147945200000000, 0.0003554300000000, -0.0089400900000000 ] - [ 0.0145691700000000, 0.0000206500000000, -0.0086380400000000 ] - [ 0.0146670200000000, 0.0000000000000000, -0.0086914900000000 ] - [ 0.0145833600000000, 0.0000000000000000, -0.0086287100000000 ] - [ -0.0158118700000000, 0.0000000000000000, -0.0066184600000000 ] - [ -0.0146584000000000, 0.0000000000000000, -0.0085103600000000 ] - [ -0.0143532500000000, -0.0003936100000000, -0.0084180800000000 ] - [ -0.0146507600000000, -0.0000156300000000, -0.0085275100000000 ] - [ -0.0143532500000000, 0.0003936100000000, -0.0084180800000000 ] - [ -0.0146507600000000, 0.0000156300000000, -0.0085275100000000 ] - [ -0.0004678400000000, 0.0000023800000000, 0.0001665800000000 ] - [ -0.0005330100000000, 0.0000001000000000, 0.0002505500000000 ] - [ -0.0004678400000000, -0.0000023800000000, 0.0001665800000000 ] - [ -0.0005330100000000, -0.0000001000000000, 0.0002505500000000 ] - [ -0.0004855700000000, 0.0000000000000000, 0.0002493500000000 ] - [ -0.0005191500000000, 0.0000000000000000, 0.0002894000000000 ] - [ -0.0010325500000000, 0.0000799600000000, -0.0003911500000000 ] - [ -0.0014654600000000, 0.0000621100000000, -0.0004780200000000 ] - [ -0.0010325500000000, -0.0000799600000000, -0.0003911500000000 ] - [ -0.0014654600000000, -0.0000621100000000, -0.0004780200000000 ] - [ -0.0011302100000000, 0.0000000000000000, -0.0003082000000000 ] - [ -0.0013459700000000, 0.0000000000000000, -0.0003295700000000 ] - [ 0.0002873800000000, 0.0000000000000000, 0.0007161000000000 ] - [ 0.0003323400000000, 0.0000000000000000, 0.0011500900000000 ] - [ 0.0003139200000000, 0.0000597100000000, 0.0006171500000000 ] - [ 0.0004240200000000, 0.0000390600000000, 0.0007337600000000 ] - [ 0.0003139200000000, -0.0000597100000000, 0.0006171500000000 ] - [ 0.0004240200000000, -0.0000390600000000, 0.0007337600000000 ] - [ 0.0009473500000000, 0.0000000000000000, -0.0003813600000000 ] - [ 0.0014695500000000, 0.0000000000000000, -0.0001804400000000 ] - [ 0.0011020400000000, 0.0001117900000000, -0.0002828900000000 ] - [ 0.0013421900000000, 0.0000767100000000, -0.0001841100000000 ] - [ 0.0011020400000000, -0.0001117900000000, -0.0002828900000000 ] - [ 0.0013421900000000, -0.0000767100000000, -0.0001841100000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004211000000000, 0.0000000000000000, -0.0003035900000000 ] - [ 0.0000541600000000, 0.0000000000000000, 0.0001441700000000 ] - [ 0.0003160700000000, -0.0001070400000000, 0.0000226500000000 ] - [ 0.0000809300000000, -0.0000291300000000, 0.0001552600000000 ] - [ 0.0003160700000000, 0.0001070400000000, 0.0000226500000000 ] - [ 0.0000809300000000, 0.0000291300000000, 0.0001552600000000 ] - [ -0.0012479600000000, 0.0000000000000000, 0.0163938400000000 ] - [ -0.0038028800000000, 0.0000000000000000, -0.0011026300000000 ] - [ -0.0035503700000000, -0.0000124500000000, -0.0002841100000000 ] - [ -0.0037977700000000, 0.0000072800000000, -0.0011157300000000 ] - [ -0.0035503700000000, 0.0000124500000000, -0.0002841100000000 ] - [ -0.0037977700000000, -0.0000072800000000, -0.0011157300000000 ] - [ -0.0003805800000000, 0.0000000000000000, -0.0013594000000000 ] - [ 0.0002498900000000, 0.0000000000000000, -0.0001995900000000 ] - [ -0.0000262300000000, -0.0003083900000000, -0.0005384400000000 ] - [ 0.0002154300000000, -0.0000212900000000, -0.0001926000000000 ] - [ -0.0000262300000000, 0.0003083900000000, -0.0005384400000000 ] - [ 0.0002154300000000, 0.0000212900000000, -0.0001926000000000 ] - [ -0.0003240600000000, -0.0000609600000000, 0.0002058000000000 ] - [ 0.0006555600000000, -0.0005890300000000, 0.0000977200000000 ] - [ -0.0003240600000000, 0.0000609600000000, 0.0002058000000000 ] - [ 0.0006555600000000, 0.0005890300000000, 0.0000977200000000 ] - [ -0.0002359400000000, 0.0000000000000000, 0.0002249100000000 ] - [ -0.0000205200000000, 0.0000000000000000, 0.0003266100000000 ] - [ 0.0041152300000000, 0.0002280100000000, 0.0017726400000000 ] - [ 0.0033043400000000, -0.0000214200000000, 0.0015327900000000 ] - [ 0.0041152300000000, -0.0002280100000000, 0.0017726400000000 ] - [ 0.0033043400000000, 0.0000214200000000, 0.0015327900000000 ] - [ 0.0039427100000000, 0.0000000000000000, 0.0014887200000000 ] - [ 0.0036503900000000, 0.0000000000000000, 0.0013552700000000 ] - [ -0.0038900800000000, 0.0000000000000000, 0.0009701400000000 ] - [ -0.0036365900000000, 0.0000000000000000, 0.0009701700000000 ] - [ -0.0038171700000000, 0.0000076100000000, 0.0010430600000000 ] - [ -0.0036812100000000, 0.0000392700000000, 0.0010428700000000 ] - [ -0.0038171700000000, -0.0000076100000000, 0.0010430600000000 ] - [ -0.0036812100000000, -0.0000392700000000, 0.0010428700000000 ] - [ 0.0037543500000000, -0.0000521700000000, -0.0016832000000000 ] - [ 0.0037796400000000, -0.0000012000000000, -0.0013163200000000 ] - [ 0.0037543500000000, 0.0000521700000000, -0.0016832000000000 ] - [ 0.0037796400000000, 0.0000012000000000, -0.0013163200000000 ] - [ 0.0037792200000000, 0.0000000000000000, -0.0014891700000000 ] - [ 0.0037823400000000, 0.0000000000000000, -0.0013064000000000 ] - [ -0.0006031800000000, -0.0005386500000000, -0.0007077700000000 ] - [ -0.0001014100000000, -0.0000299900000000, -0.0002317600000000 ] - [ -0.0006031800000000, 0.0005386500000000, -0.0007077700000000 ] - [ -0.0001014100000000, 0.0000299900000000, -0.0002317600000000 ] - [ -0.0002189800000000, 0.0000000000000000, -0.0002546900000000 ] - [ -0.0001263000000000, 0.0000000000000000, -0.0002202400000000 ] - [ 0.0157269800000000, 0.0008527100000000, 0.0073280900000000 ] - [ 0.0153324500000000, 0.0000043800000000, 0.0081749700000000 ] - [ 0.0157269800000000, -0.0008527100000000, 0.0073280900000000 ] - [ 0.0153324500000000, -0.0000043800000000, 0.0081749700000000 ] - [ 0.0152257900000000, 0.0000000000000000, 0.0080653300000000 ] - [ 0.0153268200000000, 0.0000000000000000, 0.0081709400000000 ] - [ -0.0151358500000000, 0.0000000000000000, 0.0067452300000000 ] - [ -0.0153745700000000, 0.0000000000000000, 0.0081221200000000 ] - [ -0.0154259200000000, 0.0001221700000000, 0.0080477600000000 ] - [ -0.0153783300000000, 0.0000108400000000, 0.0081317900000000 ] - [ -0.0154259200000000, -0.0001221700000000, 0.0080477600000000 ] - [ -0.0153783300000000, -0.0000108400000000, 0.0081317900000000 ] - [ -0.0160781500000000, 0.0000000000000000, -0.0081705600000000 ] - [ -0.0152313600000000, 0.0000000000000000, -0.0081386900000000 ] - [ -0.0155928100000000, 0.0003987100000000, -0.0082208300000000 ] - [ -0.0154126300000000, 0.0000298700000000, -0.0080588400000000 ] - [ -0.0155928100000000, -0.0003987100000000, -0.0082208300000000 ] - [ -0.0154126300000000, -0.0000298700000000, -0.0080588400000000 ] - [ 0.0153740200000000, 0.0000045600000000, -0.0082961800000000 ] - [ 0.0153342600000000, 0.0000167600000000, -0.0083410900000000 ] - [ 0.0153740200000000, -0.0000045600000000, -0.0082961800000000 ] - [ 0.0153342600000000, -0.0000167600000000, -0.0083410900000000 ] - [ 0.0153567000000000, 0.0000000000000000, -0.0082371600000000 ] - [ 0.0153256100000000, 0.0000000000000000, -0.0082502000000000 ] - [ 0.0007654800000000, 0.0000000000000000, 0.0001862800000000 ] - [ 0.0004718100000000, 0.0000000000000000, -0.0003278600000000 ] - [ 0.0005428000000000, -0.0000708900000000, -0.0001978400000000 ] - [ 0.0004858900000000, -0.0000043600000000, -0.0003414700000000 ] - [ 0.0005428000000000, 0.0000708900000000, -0.0001978400000000 ] - [ 0.0004858900000000, 0.0000043600000000, -0.0003414700000000 ] - [ -0.0012338200000000, -0.0001575700000000, 0.0008491100000000 ] - [ -0.0012278400000000, -0.0000062400000000, 0.0002458100000000 ] - [ -0.0012338200000000, 0.0001575700000000, 0.0008491100000000 ] - [ -0.0012278400000000, 0.0000062400000000, 0.0002458100000000 ] - [ -0.0012469000000000, 0.0000000000000000, 0.0004017700000000 ] - [ -0.0012276800000000, 0.0000000000000000, 0.0002449000000000 ] - [ -0.0022896100000000, 0.0030534900000000, -0.0037773900000000 ] - [ -0.0004989700000000, 0.0000002700000000, -0.0005081000000000 ] - [ -0.0022896100000000, -0.0030534900000000, -0.0037773900000000 ] - [ -0.0004989700000000, -0.0000002700000000, -0.0005081000000000 ] - [ -0.0004374700000000, 0.0000000000000000, -0.0005807900000000 ] - [ -0.0004787300000000, 0.0000000000000000, -0.0004973900000000 ] - [ 0.0140522400000000, -0.0003488800000000, 0.0078030400000000 ] - [ 0.0145696300000000, 0.0000862100000000, 0.0084780500000000 ] - [ 0.0140522400000000, 0.0003488800000000, 0.0078030400000000 ] - [ 0.0145696300000000, -0.0000862100000000, 0.0084780500000000 ] - [ 0.0145449600000000, 0.0000000000000000, 0.0083770600000000 ] - [ 0.0146184000000000, 0.0000000000000000, 0.0085018300000000 ] - [ -0.0146392500000000, 0.0000000000000000, 0.0086719600000000 ] - [ -0.0145710300000000, 0.0000000000000000, 0.0088425800000000 ] - [ -0.0146354500000000, 0.0000198300000000, 0.0086551800000000 ] - [ -0.0145845000000000, 0.0000220400000000, 0.0087607500000000 ] - [ -0.0146354500000000, -0.0000198300000000, 0.0086551800000000 ] - [ -0.0145845000000000, -0.0000220400000000, 0.0087607500000000 ] - [ 0.0018986500000000, 0.0000000000000000, -0.0041373000000000 ] - [ 0.0012628900000000, 0.0000000000000000, 0.0002462500000000 ] - [ 0.0011825300000000, -0.0003360000000000, 0.0002886100000000 ] - [ 0.0012585300000000, -0.0000137600000000, 0.0002417200000000 ] - [ 0.0011825300000000, 0.0003360000000000, 0.0002886100000000 ] - [ 0.0012585300000000, 0.0000137600000000, 0.0002417200000000 ] - [ 0.0144133600000000, 0.0003554900000000, -0.0082015100000000 ] - [ 0.0146387800000000, 0.0000207400000000, -0.0085032500000000 ] - [ 0.0144133600000000, -0.0003554900000000, -0.0082015100000000 ] - [ 0.0146387800000000, -0.0000207400000000, -0.0085032500000000 ] - [ 0.0145407100000000, 0.0000000000000000, -0.0084496900000000 ] - [ 0.0146246400000000, 0.0000000000000000, -0.0085128200000000 ] - [ -0.0134647400000000, 0.0000000000000000, -0.0104498100000000 ] - [ -0.0145491800000000, 0.0000000000000000, -0.0086305500000000 ] - [ -0.0148548200000000, 0.0003926700000000, -0.0087228100000000 ] - [ -0.0145571900000000, 0.0000157100000000, -0.0086134900000000 ] - [ -0.0148548200000000, -0.0003926700000000, -0.0087228100000000 ] - [ -0.0145571900000000, -0.0000157100000000, -0.0086134900000000 ] - [ -0.0005043900000000, -0.0000023900000000, 0.0006553200000000 ] - [ -0.0004391900000000, -0.0000001400000000, 0.0005716400000000 ] - [ -0.0005043900000000, 0.0000023900000000, 0.0006553200000000 ] - [ -0.0004391900000000, 0.0000001400000000, 0.0005716400000000 ] - [ -0.0004866200000000, 0.0000000000000000, 0.0005726000000000 ] - [ -0.0004534500000000, 0.0000000000000000, 0.0005326500000000 ] - [ -0.0014364500000000, -0.0000801800000000, -0.0000818700000000 ] - [ -0.0010036600000000, -0.0000616900000000, 0.0000052000000000 ] - [ -0.0014364500000000, 0.0000801800000000, -0.0000818700000000 ] - [ -0.0010036600000000, 0.0000616900000000, 0.0000052000000000 ] - [ -0.0013387800000000, 0.0000000000000000, -0.0001645000000000 ] - [ -0.0011231200000000, 0.0000000000000000, -0.0001432700000000 ] - [ 0.0006844600000000, 0.0000000000000000, 0.0001067600000000 ] - [ 0.0006380800000000, 0.0000000000000000, -0.0003280700000000 ] - [ 0.0006572900000000, -0.0000594000000000, 0.0002062400000000 ] - [ 0.0005480600000000, -0.0000386400000000, 0.0000887200000000 ] - [ 0.0006572900000000, 0.0000594000000000, 0.0002062400000000 ] - [ 0.0005480600000000, 0.0000386400000000, 0.0000887200000000 ] - [ 0.0015231800000000, 0.0000000000000000, -0.0000927100000000 ] - [ 0.0009985200000000, 0.0000000000000000, -0.0002946300000000 ] - [ 0.0013673500000000, -0.0001118200000000, -0.0001912100000000 ] - [ 0.0011263400000000, -0.0000769500000000, -0.0002891400000000 ] - [ 0.0013673500000000, 0.0001118200000000, -0.0001912100000000 ] - [ 0.0011263400000000, 0.0000769500000000, -0.0002891400000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001002100000000, -0.0000169100000000, -0.0005840400000000 ] - [ 0.0003101300000000, 0.0001039400000000, 0.0002597600000000 ] - [ 0.0001651100000000, 0.0000000000000000, 0.0000215200000000 ] - [ 0.0002232900000000, 0.0000000000000000, 0.0002179700000000 ] - [ 0.0001002100000000, 0.0000169100000000, -0.0005840400000000 ] - [ 0.0003101300000000, -0.0001039400000000, 0.0002597600000000 ] - [ -0.0048410300000000, 0.0009382000000000, -0.0015872400000000 ] - [ -0.0035847200000000, 0.0000169700000000, -0.0011922100000000 ] - [ -0.0040233500000000, 0.0000000000000000, -0.0010854400000000 ] - [ -0.0036246900000000, 0.0000000000000000, -0.0011866500000000 ] - [ -0.0048410300000000, -0.0009382000000000, -0.0015872400000000 ] - [ -0.0035847200000000, -0.0000169700000000, -0.0011922100000000 ] - [ 0.0007078500000000, 0.0016359300000000, 0.0008790300000000 ] - [ 0.0003666300000000, -0.0000187400000000, -0.0002194400000000 ] - [ -0.0001055500000000, 0.0000000000000000, -0.0002394800000000 ] - [ 0.0003146300000000, 0.0000000000000000, -0.0002133300000000 ] - [ 0.0007078500000000, -0.0016359300000000, 0.0008790300000000 ] - [ 0.0003666300000000, 0.0000187400000000, -0.0002194400000000 ] - [ -0.0000916000000000, 0.0000000000000000, 0.0002888400000000 ] - [ -0.0001602600000000, 0.0000000000000000, -0.0000317300000000 ] - [ -0.0000851700000000, 0.0000020700000000, 0.0002861000000000 ] - [ -0.0002045600000000, 0.0001045900000000, 0.0001222600000000 ] - [ -0.0000851700000000, -0.0000020700000000, 0.0002861000000000 ] - [ -0.0002045600000000, -0.0001045900000000, 0.0001222600000000 ] - [ 0.0049524500000000, 0.0000000000000000, 0.0019271100000000 ] - [ 0.0050683400000000, 0.0000000000000000, 0.0010883800000000 ] - [ 0.0042553400000000, -0.0002551200000000, 0.0014520900000000 ] - [ 0.0038086700000000, 0.0001845500000000, 0.0012711000000000 ] - [ 0.0042553400000000, 0.0002551200000000, 0.0014520900000000 ] - [ 0.0038086700000000, -0.0001845500000000, 0.0012711000000000 ] - [ -0.0037945900000000, 0.0000225700000000, 0.0011912800000000 ] - [ -0.0037456400000000, 0.0000306600000000, 0.0012311100000000 ] - [ -0.0037732500000000, 0.0000000000000000, 0.0011825800000000 ] - [ -0.0037633400000000, 0.0000000000000000, 0.0012138500000000 ] - [ -0.0037945900000000, -0.0000225700000000, 0.0011912800000000 ] - [ -0.0037456400000000, -0.0000306600000000, 0.0012311100000000 ] - [ 0.0037452600000000, 0.0000000000000000, -0.0009945600000000 ] - [ 0.0038889500000000, 0.0000000000000000, -0.0012327500000000 ] - [ 0.0036625300000000, 0.0000648300000000, -0.0012842400000000 ] - [ 0.0038663200000000, 0.0000063000000000, -0.0012366000000000 ] - [ 0.0036625300000000, -0.0000648300000000, -0.0012842400000000 ] - [ 0.0038663200000000, -0.0000063000000000, -0.0012366000000000 ] - [ -0.0002759900000000, 0.0000000000000000, -0.0001647300000000 ] - [ -0.0000496000000000, 0.0000000000000000, -0.0002621000000000 ] - [ -0.0002579400000000, 0.0000337600000000, -0.0001499600000000 ] - [ -0.0000698000000000, 0.0000222100000000, -0.0002418800000000 ] - [ -0.0002579400000000, -0.0000337600000000, -0.0001499600000000 ] - [ -0.0000698000000000, -0.0000222100000000, -0.0002418800000000 ] - [ -0.0124269800000000, 0.0000000000000000, 0.0094377000000000 ] - [ 0.0155254600000000, 0.0000000000000000, 0.0081475600000000 ] - [ 0.0140595900000000, -0.0010251300000000, 0.0075966100000000 ] - [ 0.0155047900000000, 0.0000607100000000, 0.0081621700000000 ] - [ 0.0140595900000000, 0.0010251300000000, 0.0075966100000000 ] - [ 0.0155047900000000, -0.0000607100000000, 0.0081621700000000 ] - [ -0.0154012400000000, 0.0000260600000000, 0.0081121100000000 ] - [ -0.0153033100000000, 0.0000053200000000, 0.0081590900000000 ] - [ -0.0154324200000000, 0.0000000000000000, 0.0081671000000000 ] - [ -0.0153144900000000, 0.0000000000000000, 0.0081588500000000 ] - [ -0.0154012400000000, -0.0000260600000000, 0.0081121100000000 ] - [ -0.0153033100000000, -0.0000053200000000, 0.0081590900000000 ] - [ -0.0153528400000000, 0.0000489300000000, -0.0080500900000000 ] - [ -0.0151102000000000, 0.0000325500000000, -0.0082844900000000 ] - [ -0.0153211300000000, 0.0000000000000000, -0.0080819900000000 ] - [ -0.0153816400000000, 0.0000000000000000, -0.0081737700000000 ] - [ -0.0153528400000000, -0.0000489300000000, -0.0080500900000000 ] - [ -0.0151102000000000, -0.0000325500000000, -0.0082844900000000 ] - [ 0.0153284100000000, 0.0000000000000000, -0.0084215900000000 ] - [ 0.0153282100000000, 0.0000000000000000, -0.0078451800000000 ] - [ 0.0153791400000000, 0.0000026100000000, -0.0083016600000000 ] - [ 0.0153791800000000, 0.0000839000000000, -0.0081233300000000 ] - [ 0.0153791400000000, -0.0000026100000000, -0.0083016600000000 ] - [ 0.0153791800000000, -0.0000839000000000, -0.0081233300000000 ] - [ 0.0005895300000000, -0.0000412100000000, -0.0004163800000000 ] - [ 0.0003917500000000, -0.0000116000000000, -0.0004068400000000 ] - [ 0.0005684200000000, 0.0000000000000000, -0.0003962200000000 ] - [ 0.0004131100000000, 0.0000000000000000, -0.0004074600000000 ] - [ 0.0005895300000000, 0.0000412100000000, -0.0004163800000000 ] - [ 0.0003917500000000, 0.0000116000000000, -0.0004068400000000 ] - [ -0.0009136600000000, 0.0000000000000000, 0.0051143000000000 ] - [ -0.0013910200000000, 0.0000000000000000, 0.0002266800000000 ] - [ -0.0008504500000000, -0.0000243900000000, 0.0005911700000000 ] - [ -0.0013582500000000, -0.0000196000000000, 0.0002250400000000 ] - [ -0.0008504500000000, 0.0000243900000000, 0.0005911700000000 ] - [ -0.0013582500000000, 0.0000196000000000, 0.0002250400000000 ] - [ 0.0190125400000000, 0.0000000000000000, -0.0109140200000000 ] - [ -0.0007395400000000, 0.0000000000000000, -0.0004140300000000 ] - [ 0.0001938600000000, -0.0002776000000000, -0.0005193000000000 ] - [ -0.0007062400000000, -0.0000083000000000, -0.0004085600000000 ] - [ 0.0001938600000000, 0.0002776000000000, -0.0005193000000000 ] - [ -0.0007062400000000, 0.0000083000000000, -0.0004085600000000 ] - [ 0.0148711100000000, 0.0000000000000000, 0.0083917700000000 ] - [ 0.0144063400000000, 0.0000000000000000, 0.0086485800000000 ] - [ 0.0147020400000000, 0.0000127500000000, 0.0083451600000000 ] - [ 0.0144853100000000, -0.0000997000000000, 0.0085648900000000 ] - [ 0.0147020400000000, -0.0000127500000000, 0.0083451600000000 ] - [ 0.0144853100000000, 0.0000997000000000, 0.0085648900000000 ] - [ -0.0146742600000000, 0.0000030200000000, 0.0086572300000000 ] - [ -0.0145948600000000, -0.0001296500000000, 0.0084471600000000 ] - [ -0.0146785600000000, 0.0000000000000000, 0.0086399900000000 ] - [ -0.0145245900000000, 0.0000000000000000, 0.0085726700000000 ] - [ -0.0146742600000000, -0.0000030200000000, 0.0086572300000000 ] - [ -0.0145948600000000, 0.0001296500000000, 0.0084471600000000 ] - [ 0.0013464000000000, -0.0000416700000000, 0.0003424800000000 ] - [ 0.0011373100000000, -0.0000092500000000, 0.0002238500000000 ] - [ 0.0013389900000000, 0.0000000000000000, 0.0002004100000000 ] - [ 0.0011499700000000, 0.0000000000000000, 0.0002240800000000 ] - [ 0.0013464000000000, 0.0000416700000000, 0.0003424800000000 ] - [ 0.0011373100000000, 0.0000092500000000, 0.0002238500000000 ] - [ 0.0146362100000000, 0.0000000000000000, -0.0085762800000000 ] - [ 0.0145596700000000, 0.0000000000000000, -0.0085662200000000 ] - [ 0.0146483600000000, -0.0000427400000000, -0.0085620200000000 ] - [ 0.0145561900000000, -0.0000094200000000, -0.0085618200000000 ] - [ 0.0146483600000000, 0.0000427400000000, -0.0085620200000000 ] - [ 0.0145561900000000, 0.0000094200000000, -0.0085618200000000 ] - [ -0.0107558500000000, -0.0050964200000000, -0.0064860800000000 ] - [ -0.0148229100000000, -0.0001033100000000, -0.0086214600000000 ] - [ -0.0143246000000000, 0.0000000000000000, -0.0084828000000000 ] - [ -0.0147048800000000, 0.0000000000000000, -0.0085913400000000 ] - [ -0.0107558500000000, 0.0050964200000000, -0.0064860800000000 ] - [ -0.0148229100000000, 0.0001033100000000, -0.0086214600000000 ] - [ -0.0002426800000000, 0.0000000000000000, 0.0004550700000000 ] - [ -0.0006148900000000, 0.0000000000000000, 0.0002959500000000 ] - [ -0.0004531000000000, -0.0000076600000000, 0.0005107900000000 ] - [ -0.0005391200000000, -0.0000306300000000, 0.0003895600000000 ] - [ -0.0004531000000000, 0.0000076600000000, 0.0005107900000000 ] - [ -0.0005391200000000, 0.0000306300000000, 0.0003895600000000 ] - [ -0.0016747400000000, 0.0000000000000000, 0.0001813600000000 ] - [ -0.0016336600000000, 0.0000000000000000, -0.0008142000000000 ] - [ -0.0014257300000000, 0.0000599700000000, -0.0000082600000000 ] - [ -0.0012732100000000, -0.0001504300000000, -0.0002735300000000 ] - [ -0.0014257300000000, -0.0000599700000000, -0.0000082600000000 ] - [ -0.0012732100000000, 0.0001504300000000, -0.0002735300000000 ] - [ 0.0003520400000000, 0.0000069600000000, 0.0002239700000000 ] - [ 0.0001394000000000, -0.0003581700000000, 0.0007964200000000 ] - [ 0.0003792500000000, 0.0000000000000000, 0.0002621300000000 ] - [ 0.0005424200000000, 0.0000000000000000, 0.0003932200000000 ] - [ 0.0003520400000000, -0.0000069600000000, 0.0002239700000000 ] - [ 0.0001394000000000, 0.0003581700000000, 0.0007964200000000 ] - [ 0.0012484900000000, -0.0000131400000000, -0.0003261900000000 ] - [ 0.0011781700000000, -0.0000232800000000, -0.0001033500000000 ] - [ 0.0012299800000000, 0.0000000000000000, -0.0003366500000000 ] - [ 0.0012105400000000, 0.0000000000000000, -0.0002081000000000 ] - [ 0.0012484900000000, 0.0000131400000000, -0.0003261900000000 ] - [ 0.0011781700000000, 0.0000232800000000, -0.0001033500000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002016100000000, 0.0000231600000000, 0.0010134800000000 ] - [ -0.0000058200000000, -0.0001039500000000, 0.0001614700000000 ] - [ 0.0001392300000000, 0.0000000000000000, 0.0004000100000000 ] - [ 0.0000811000000000, 0.0000000000000000, 0.0002031900000000 ] - [ 0.0002016100000000, -0.0000231600000000, 0.0010134800000000 ] - [ -0.0000058200000000, 0.0001039500000000, 0.0001614700000000 ] - [ -0.0027044500000000, -0.0009400700000000, -0.0008459500000000 ] - [ -0.0039614400000000, -0.0000169900000000, -0.0012409200000000 ] - [ -0.0035222700000000, 0.0000000000000000, -0.0013480100000000 ] - [ -0.0039213800000000, 0.0000000000000000, -0.0012463700000000 ] - [ -0.0027044500000000, 0.0009400700000000, -0.0008459500000000 ] - [ -0.0039614400000000, 0.0000169900000000, -0.0012409200000000 ] - [ -0.0003902800000000, -0.0016219400000000, -0.0012926100000000 ] - [ -0.0000629200000000, 0.0000194400000000, -0.0002037500000000 ] - [ 0.0004104600000000, 0.0000000000000000, -0.0001832400000000 ] - [ -0.0000103200000000, 0.0000000000000000, -0.0002096700000000 ] - [ -0.0003902800000000, 0.0016219400000000, -0.0012926100000000 ] - [ -0.0000629200000000, -0.0000194400000000, -0.0002037500000000 ] - [ -0.0002159500000000, 0.0000000000000000, 0.0001324700000000 ] - [ -0.0001473900000000, 0.0000000000000000, 0.0004533700000000 ] - [ -0.0002225700000000, -0.0000021000000000, 0.0001351000000000 ] - [ -0.0001029900000000, -0.0001047800000000, 0.0002990100000000 ] - [ -0.0002225700000000, 0.0000021000000000, 0.0001351000000000 ] - [ -0.0001029900000000, 0.0001047800000000, 0.0002990100000000 ] - [ 0.0025678100000000, 0.0000000000000000, 0.0004889100000000 ] - [ 0.0024712200000000, 0.0000000000000000, 0.0013433500000000 ] - [ 0.0032864600000000, 0.0002547400000000, 0.0009791800000000 ] - [ 0.0037341700000000, -0.0001849200000000, 0.0011599000000000 ] - [ 0.0032864600000000, -0.0002547400000000, 0.0009791800000000 ] - [ 0.0037341700000000, 0.0001849200000000, 0.0011599000000000 ] - [ -0.0037513200000000, -0.0000225900000000, 0.0012401400000000 ] - [ -0.0038003900000000, -0.0000307100000000, 0.0012001000000000 ] - [ -0.0037727000000000, 0.0000000000000000, 0.0012486900000000 ] - [ -0.0037826300000000, 0.0000000000000000, 0.0012173600000000 ] - [ -0.0037513200000000, 0.0000225900000000, 0.0012401400000000 ] - [ -0.0038003900000000, 0.0000307100000000, 0.0012001000000000 ] - [ 0.0037973700000000, 0.0000000000000000, -0.0014392800000000 ] - [ 0.0036536200000000, 0.0000000000000000, -0.0012000300000000 ] - [ 0.0038804100000000, -0.0000649400000000, -0.0011485400000000 ] - [ 0.0036763400000000, -0.0000062400000000, -0.0011962300000000 ] - [ 0.0038804100000000, 0.0000649400000000, -0.0011485400000000 ] - [ 0.0036763400000000, 0.0000062400000000, -0.0011962300000000 ] - [ -0.0000316100000000, 0.0000000000000000, -0.0002580500000000 ] - [ -0.0002581400000000, 0.0000000000000000, -0.0001606800000000 ] - [ -0.0000495700000000, -0.0000338600000000, -0.0002731500000000 ] - [ -0.0002379000000000, -0.0000222300000000, -0.0001809800000000 ] - [ -0.0000495700000000, 0.0000338600000000, -0.0002731500000000 ] - [ -0.0002379000000000, 0.0000222300000000, -0.0001809800000000 ] - [ 0.0425581200000000, 0.0000000000000000, 0.0076257700000000 ] - [ 0.0151925500000000, 0.0000000000000000, 0.0081642400000000 ] - [ 0.0166564800000000, 0.0010257700000000, 0.0087181900000000 ] - [ 0.0152089800000000, -0.0000606900000000, 0.0081496800000000 ] - [ 0.0166564800000000, -0.0010257700000000, 0.0087181900000000 ] - [ 0.0152089800000000, 0.0000606900000000, 0.0081496800000000 ] - [ -0.0153187900000000, -0.0000262700000000, 0.0081993500000000 ] - [ -0.0154168900000000, -0.0000053200000000, 0.0081522400000000 ] - [ -0.0152873600000000, 0.0000000000000000, 0.0081445700000000 ] - [ -0.0154051000000000, 0.0000000000000000, 0.0081529300000000 ] - [ -0.0153187900000000, 0.0000262700000000, 0.0081993500000000 ] - [ -0.0154168900000000, 0.0000053200000000, 0.0081522400000000 ] - [ -0.0153640000000000, -0.0000495300000000, -0.0082631700000000 ] - [ -0.0156070500000000, -0.0000324300000000, -0.0080287900000000 ] - [ -0.0153959100000000, 0.0000000000000000, -0.0082321400000000 ] - [ -0.0153355800000000, 0.0000000000000000, -0.0081400500000000 ] - [ -0.0153640000000000, 0.0000495300000000, -0.0082631700000000 ] - [ -0.0156070500000000, 0.0000324300000000, -0.0080287900000000 ] - [ 0.0153881400000000, 0.0000000000000000, -0.0078906000000000 ] - [ 0.0153883700000000, 0.0000000000000000, -0.0084685000000000 ] - [ 0.0153375200000000, -0.0000022300000000, -0.0080117200000000 ] - [ 0.0153374100000000, -0.0000838500000000, -0.0081898500000000 ] - [ 0.0153375200000000, 0.0000022300000000, -0.0080117200000000 ] - [ 0.0153374100000000, 0.0000838500000000, -0.0081898500000000 ] - [ 0.0003776900000000, 0.0000412500000000, -0.0004078800000000 ] - [ 0.0005756000000000, 0.0000115900000000, -0.0004175000000000 ] - [ 0.0003988900000000, 0.0000000000000000, -0.0004280000000000 ] - [ 0.0005543400000000, 0.0000000000000000, -0.0004170600000000 ] - [ 0.0003776900000000, -0.0000412500000000, -0.0004078800000000 ] - [ 0.0005756000000000, -0.0000115900000000, -0.0004175000000000 ] - [ -0.0016418800000000, 0.0000000000000000, -0.0046709700000000 ] - [ -0.0010791300000000, 0.0000000000000000, 0.0002469700000000 ] - [ -0.0016203600000000, 0.0000249200000000, -0.0001178200000000 ] - [ -0.0011123200000000, 0.0000196500000000, 0.0002479300000000 ] - [ -0.0016203600000000, -0.0000249200000000, -0.0001178200000000 ] - [ -0.0011123200000000, -0.0000196500000000, 0.0002479300000000 ] - [ -0.0190496400000000, 0.0000000000000000, 0.0095221400000000 ] - [ -0.0002300300000000, 0.0000000000000000, -0.0004111000000000 ] - [ -0.0011656400000000, 0.0002775200000000, -0.0003058800000000 ] - [ -0.0002639000000000, 0.0000080400000000, -0.0004166000000000 ] - [ -0.0011656400000000, -0.0002775200000000, -0.0003058800000000 ] - [ -0.0002639000000000, -0.0000080400000000, -0.0004166000000000 ] - [ 0.0143356500000000, 0.0000000000000000, 0.0087484200000000 ] - [ 0.0148016200000000, 0.0000000000000000, 0.0084929400000000 ] - [ 0.0145056600000000, -0.0000129400000000, 0.0087972200000000 ] - [ 0.0147221400000000, 0.0000998700000000, 0.0085767300000000 ] - [ 0.0145056600000000, 0.0000129400000000, 0.0087972200000000 ] - [ 0.0147221400000000, -0.0000998700000000, 0.0085767300000000 ] - [ -0.0145361900000000, -0.0000033800000000, 0.0084838700000000 ] - [ -0.0146156000000000, 0.0001296300000000, 0.0086942800000000 ] - [ -0.0145320500000000, 0.0000000000000000, 0.0085015400000000 ] - [ -0.0146859300000000, 0.0000000000000000, 0.0085690300000000 ] - [ -0.0145361900000000, 0.0000033800000000, 0.0084838700000000 ] - [ -0.0146156000000000, -0.0001296300000000, 0.0086942800000000 ] - [ 0.0011208400000000, 0.0000418300000000, 0.0001307500000000 ] - [ 0.0013300800000000, 0.0000092800000000, 0.0002496200000000 ] - [ 0.0011284600000000, 0.0000000000000000, 0.0002724300000000 ] - [ 0.0013176400000000, 0.0000000000000000, 0.0002482400000000 ] - [ 0.0011208400000000, -0.0000418300000000, 0.0001307500000000 ] - [ 0.0013300800000000, -0.0000092800000000, 0.0002496200000000 ] - [ 0.0145723000000000, 0.0000000000000000, -0.0085675700000000 ] - [ 0.0146477300000000, 0.0000000000000000, -0.0085773100000000 ] - [ 0.0145588900000000, 0.0000427800000000, -0.0085815300000000 ] - [ 0.0146511000000000, 0.0000093100000000, -0.0085816800000000 ] - [ 0.0145588900000000, -0.0000427800000000, -0.0085815300000000 ] - [ 0.0146511000000000, -0.0000093100000000, -0.0085816800000000 ] - [ -0.0184759700000000, 0.0052488800000000, -0.0106831300000000 ] - [ -0.0143872000000000, 0.0001033600000000, -0.0085215200000000 ] - [ -0.0148854200000000, 0.0000000000000000, -0.0086607600000000 ] - [ -0.0145059100000000, 0.0000000000000000, -0.0085518300000000 ] - [ -0.0184759700000000, -0.0052488800000000, -0.0106831300000000 ] - [ -0.0143872000000000, -0.0001033600000000, -0.0085215200000000 ] - [ -0.0007282300000000, 0.0000000000000000, 0.0003672900000000 ] - [ -0.0003551200000000, 0.0000000000000000, 0.0005264900000000 ] - [ -0.0005175300000000, 0.0000077100000000, 0.0003113300000000 ] - [ -0.0004308800000000, 0.0000308600000000, 0.0004329800000000 ] - [ -0.0005175300000000, -0.0000077100000000, 0.0003113300000000 ] - [ -0.0004308800000000, -0.0000308600000000, 0.0004329800000000 ] - [ -0.0007911200000000, 0.0000000000000000, -0.0006579400000000 ] - [ -0.0008382500000000, 0.0000000000000000, 0.0003392400000000 ] - [ -0.0010449000000000, -0.0000602400000000, -0.0004664800000000 ] - [ -0.0011971900000000, 0.0001508000000000, -0.0002016400000000 ] - [ -0.0010449000000000, 0.0000602400000000, -0.0004664800000000 ] - [ -0.0011971900000000, -0.0001508000000000, -0.0002016400000000 ] - [ 0.0006150800000000, -0.0000069600000000, 0.0005999000000000 ] - [ 0.0008278100000000, 0.0003585100000000, 0.0000267900000000 ] - [ 0.0005879700000000, 0.0000000000000000, 0.0005612100000000 ] - [ 0.0004249800000000, 0.0000000000000000, 0.0004304100000000 ] - [ 0.0006150800000000, 0.0000069600000000, 0.0005999000000000 ] - [ 0.0008278100000000, -0.0003585100000000, 0.0000267900000000 ] - [ 0.0012189500000000, 0.0000131900000000, -0.0001491900000000 ] - [ 0.0012892700000000, 0.0000234100000000, -0.0003721500000000 ] - [ 0.0012377400000000, 0.0000000000000000, -0.0001370300000000 ] - [ 0.0012569300000000, 0.0000000000000000, -0.0002662000000000 ] - [ 0.0012189500000000, -0.0000131900000000, -0.0001491900000000 ] - [ 0.0012892700000000, -0.0000234100000000, -0.0003721500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001487200000000, -0.0000930300000000, 0.0012498900000000 ] - [ 0.0001613600000000, -0.0000255800000000, 0.0002175900000000 ] - [ 0.0001518100000000, 0.0003946500000000, 0.0002087400000000 ] - [ 0.0001517500000000, 0.0000465600000000, 0.0002089200000000 ] - [ 0.0004494900000000, -0.0000942300000000, -0.0008282900000000 ] - [ 0.0001420700000000, -0.0000254100000000, 0.0002003100000000 ] - [ -0.0031269200000000, -0.0001036600000000, -0.0020734300000000 ] - [ -0.0038229300000000, -0.0000262900000000, -0.0012199400000000 ] - [ -0.0037722900000000, 0.0003709200000000, -0.0012155700000000 ] - [ -0.0037722400000000, 0.0000480000000000, -0.0012156400000000 ] - [ -0.0044162900000000, -0.0001043100000000, -0.0003612100000000 ] - [ -0.0037215700000000, -0.0000262400000000, -0.0012113800000000 ] - [ 0.0013438600000000, 0.0003697800000000, 0.0004177000000000 ] - [ 0.0000479800000000, -0.0000817200000000, -0.0001750900000000 ] - [ 0.0001518900000000, 0.0004064900000000, -0.0002089700000000 ] - [ 0.0001518100000000, 0.0001571400000000, -0.0002088700000000 ] - [ -0.0010257100000000, 0.0003626100000000, -0.0008283000000000 ] - [ 0.0002555900000000, -0.0000815100000000, -0.0002426200000000 ] - [ -0.0001518400000000, -0.0001030800000000, 0.0002087900000000 ] - [ -0.0001518700000000, -0.0000521300000000, 0.0002088700000000 ] - [ -0.0001829800000000, 0.0000493500000000, 0.0001660800000000 ] - [ -0.0001284800000000, 0.0000236200000000, 0.0001907500000000 ] - [ -0.0001207500000000, 0.0000494100000000, 0.0002515600000000 ] - [ -0.0001752200000000, 0.0000237800000000, 0.0002270300000000 ] - [ 0.0037721200000000, -0.0014343200000000, 0.0012158100000000 ] - [ 0.0037715800000000, -0.0000051800000000, 0.0012161300000000 ] - [ 0.0030494900000000, 0.0007383900000000, 0.0008155200000000 ] - [ 0.0038970300000000, 0.0000156100000000, 0.0011857100000000 ] - [ 0.0044955100000000, 0.0007379000000000, 0.0016160800000000 ] - [ 0.0036473300000000, 0.0000156900000000, 0.0012457700000000 ] - [ -0.0037860900000000, -0.0000318400000000, 0.0012325300000000 ] - [ -0.0037654500000000, -0.0000100200000000, 0.0012201800000000 ] - [ -0.0037722400000000, 0.0000581000000000, 0.0012156100000000 ] - [ -0.0037722100000000, 0.0000153800000000, 0.0012156000000000 ] - [ -0.0037584000000000, -0.0000318200000000, 0.0011987100000000 ] - [ -0.0037789500000000, -0.0000100000000000, 0.0012108400000000 ] - [ 0.0037724200000000, -0.0000041200000000, -0.0012161000000000 ] - [ 0.0037720900000000, -0.0000253700000000, -0.0012157900000000 ] - [ 0.0038111400000000, 0.0000175100000000, -0.0010935100000000 ] - [ 0.0037647700000000, 0.0000102500000000, -0.0012049300000000 ] - [ 0.0037333100000000, 0.0000175800000000, -0.0013377900000000 ] - [ 0.0037795100000000, 0.0000102700000000, -0.0012264300000000 ] - [ -0.0001518400000000, -0.0000652800000000, -0.0002088800000000 ] - [ -0.0001518700000000, -0.0000210200000000, -0.0002089600000000 ] - [ -0.0001387100000000, 0.0000301100000000, -0.0002747100000000 ] - [ -0.0001537700000000, 0.0000079900000000, -0.0002128800000000 ] - [ -0.0001649800000000, 0.0000302000000000, -0.0001431800000000 ] - [ -0.0001500400000000, 0.0000081500000000, -0.0002049900000000 ] - [ 0.0158207500000000, -0.0250323800000000, 0.0083950000000000 ] - [ 0.0153637500000000, -0.0000287700000000, 0.0081572500000000 ] - [ 0.0163874200000000, 0.0022840000000000, 0.0086715100000000 ] - [ 0.0153016700000000, 0.0000146700000000, 0.0081753700000000 ] - [ 0.0143365800000000, 0.0022775800000000, 0.0076385800000000 ] - [ 0.0154234300000000, 0.0000148000000000, 0.0081377600000000 ] - [ -0.0153378500000000, -0.0000113600000000, 0.0081139700000000 ] - [ -0.0153589000000000, -0.0000091400000000, 0.0081437700000000 ] - [ -0.0153643500000000, 0.0000218000000000, 0.0081565800000000 ] - [ -0.0153640800000000, 0.0000172900000000, 0.0081565700000000 ] - [ -0.0153896200000000, -0.0000113600000000, 0.0081994200000000 ] - [ -0.0153690500000000, -0.0000091500000000, 0.0081699300000000 ] - [ -0.0153131100000000, -0.0001675900000000, -0.0082637200000000 ] - [ -0.0153301400000000, -0.0000094800000000, -0.0081714000000000 ] - [ -0.0153627200000000, 0.0003213200000000, -0.0081566900000000 ] - [ -0.0153627500000000, 0.0000138500000000, -0.0081569300000000 ] - [ -0.0154113300000000, -0.0001671800000000, -0.0080498900000000 ] - [ -0.0153950500000000, -0.0000091800000000, -0.0081427200000000 ] - [ 0.0153638700000000, -0.0000529400000000, -0.0081571300000000 ] - [ 0.0153645300000000, -0.0000525000000000, -0.0081571800000000 ] - [ 0.0152794500000000, 0.0000209900000000, -0.0079748500000000 ] - [ 0.0153613900000000, 0.0000209200000000, -0.0081107900000000 ] - [ 0.0154479100000000, 0.0000213800000000, -0.0083389000000000 ] - [ 0.0153670100000000, 0.0000211300000000, -0.0082028700000000 ] - [ 0.0004786900000000, 0.0000253700000000, -0.0004109100000000 ] - [ 0.0004832000000000, 0.0000038100000000, -0.0004087800000000 ] - [ 0.0004810500000000, -0.0000563300000000, -0.0004122800000000 ] - [ 0.0004813100000000, -0.0000123700000000, -0.0004121600000000 ] - [ 0.0004840600000000, 0.0000254000000000, -0.0004135500000000 ] - [ 0.0004795100000000, 0.0000037700000000, -0.0004159800000000 ] - [ -0.0012325100000000, -0.0006894700000000, 0.0001745000000000 ] - [ -0.0012359400000000, 0.0000311900000000, 0.0002363700000000 ] - [ -0.0014807600000000, -0.0004492600000000, -0.0003292800000000 ] - [ -0.0012167800000000, -0.0000179600000000, 0.0002216100000000 ] - [ -0.0009912200000000, -0.0004485000000000, 0.0008001600000000 ] - [ -0.0012553400000000, -0.0000180400000000, 0.0002493500000000 ] - [ -0.0005296900000000, -0.0008237100000000, -0.0003705300000000 ] - [ -0.0004809800000000, 0.0000666800000000, -0.0004128900000000 ] - [ -0.0010839700000000, -0.0004643900000000, -0.0002750900000000 ] - [ -0.0003394300000000, -0.0000348200000000, -0.0004205000000000 ] - [ 0.0001208600000000, -0.0004635700000000, -0.0005504900000000 ] - [ -0.0006232700000000, -0.0000347900000000, -0.0004051500000000 ] - [ 0.0146038100000000, 0.0005147300000000, 0.0085688100000000 ] - [ 0.0146040600000000, 0.0000404600000000, 0.0085694400000000 ] - [ 0.0146524200000000, -0.0002689300000000, 0.0088780300000000 ] - [ 0.0146032800000000, -0.0000212100000000, 0.0085826900000000 ] - [ 0.0145557500000000, -0.0002688500000000, 0.0082611700000000 ] - [ 0.0146049100000000, -0.0000211300000000, 0.0085566000000000 ] - [ -0.0145773100000000, 0.0000771100000000, 0.0085417500000000 ] - [ -0.0146236000000000, 0.0000519500000000, 0.0085341600000000 ] - [ -0.0146037600000000, -0.0001595000000000, 0.0085694400000000 ] - [ -0.0146037900000000, -0.0000979800000000, 0.0085694300000000 ] - [ -0.0146307000000000, 0.0000769000000000, 0.0085974200000000 ] - [ -0.0145838700000000, 0.0000515200000000, 0.0086051900000000 ] - [ 0.0012036900000000, 0.0000263900000000, 0.0003476300000000 ] - [ 0.0012534900000000, 0.0000078800000000, 0.0002656100000000 ] - [ 0.0012360200000000, -0.0000560400000000, 0.0002355200000000 ] - [ 0.0012360100000000, -0.0000200000000000, 0.0002354200000000 ] - [ 0.0012681400000000, 0.0000263400000000, 0.0001243000000000 ] - [ 0.0012185600000000, 0.0000080200000000, 0.0002064500000000 ] - [ 0.0146037000000000, 0.0000470300000000, -0.0085693500000000 ] - [ 0.0146039900000000, 0.0000284400000000, -0.0085695300000000 ] - [ 0.0145917600000000, -0.0000255300000000, -0.0085722500000000 ] - [ 0.0146116700000000, -0.0000167700000000, -0.0085699400000000 ] - [ 0.0146159100000000, -0.0000253400000000, -0.0085667900000000 ] - [ 0.0145962600000000, -0.0000167100000000, -0.0085692500000000 ] - [ -0.0229852900000000, 0.0123144100000000, -0.0128224700000000 ] - [ -0.0146015300000000, 0.0000338400000000, -0.0085749300000000 ] - [ -0.0146039100000000, -0.0015531700000000, -0.0085694100000000 ] - [ -0.0146040700000000, -0.0000718800000000, -0.0085695800000000 ] - [ -0.0066501700000000, 0.0116509700000000, -0.0045361000000000 ] - [ -0.0146060600000000, 0.0000336100000000, -0.0085642700000000 ] - [ -0.0004808600000000, 0.0001296500000000, 0.0004122700000000 ] - [ -0.0004808000000000, 0.0000162100000000, 0.0004124400000000 ] - [ -0.0004375700000000, -0.0000754600000000, 0.0002951600000000 ] - [ -0.0004861400000000, -0.0000099700000000, 0.0003975400000000 ] - [ -0.0005252900000000, -0.0000754000000000, 0.0005294500000000 ] - [ -0.0004759300000000, -0.0000101400000000, 0.0004275200000000 ] - [ -0.0012368100000000, 0.0004305000000000, -0.0002358900000000 ] - [ -0.0012355600000000, 0.0000820800000000, -0.0002357100000000 ] - [ -0.0009662300000000, -0.0002196700000000, -0.0005498500000000 ] - [ -0.0012999900000000, -0.0000457300000000, -0.0002958100000000 ] - [ -0.0015056400000000, -0.0002194200000000, 0.0000779600000000 ] - [ -0.0011719800000000, -0.0000460200000000, -0.0001767500000000 ] - [ 0.0006228400000000, 0.0001267600000000, 0.0005793600000000 ] - [ 0.0004164400000000, 0.0000602000000000, 0.0004152300000000 ] - [ 0.0004814000000000, -0.0002928500000000, 0.0004127100000000 ] - [ 0.0004812300000000, -0.0000852400000000, 0.0004126100000000 ] - [ 0.0003403800000000, 0.0001269200000000, 0.0002466400000000 ] - [ 0.0005458700000000, 0.0000602200000000, 0.0004105100000000 ] - [ 0.0012372100000000, 0.0000384500000000, -0.0001963400000000 ] - [ 0.0012306000000000, 0.0000045200000000, -0.0002291900000000 ] - [ 0.0012360800000000, -0.0000813000000000, -0.0002355000000000 ] - [ 0.0012360200000000, -0.0000149200000000, -0.0002359500000000 ] - [ 0.0012348400000000, 0.0000384600000000, -0.0002751900000000 ] - [ 0.0012413100000000, 0.0000046000000000, -0.0002426900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008920400000000, 0.0011792700000000, 0.0000443600000000 ] - [ 0.0002232100000000, 0.0000066000000000, 0.0001272100000000 ] - [ 0.0001160200000000, 0.0000000000000000, 0.0000398000000000 ] - [ 0.0002024000000000, 0.0000000000000000, 0.0001518000000000 ] - [ -0.0008920400000000, -0.0011792700000000, 0.0000443600000000 ] - [ 0.0002232100000000, -0.0000066000000000, 0.0001272100000000 ] - [ -0.0038640200000000, -0.0006940900000000, -0.0003900200000000 ] - [ -0.0037624000000000, -0.0000037200000000, -0.0012350600000000 ] - [ -0.0038059700000000, 0.0000000000000000, -0.0011250900000000 ] - [ -0.0037550800000000, 0.0000000000000000, -0.0012305500000000 ] - [ -0.0038640200000000, 0.0006940900000000, -0.0003900200000000 ] - [ -0.0037624000000000, 0.0000037200000000, -0.0012350600000000 ] - [ 0.0012571000000000, 0.0008670200000000, -0.0012037700000000 ] - [ 0.0001054300000000, 0.0000541500000000, -0.0003058000000000 ] - [ 0.0001132600000000, 0.0000000000000000, -0.0004363700000000 ] - [ 0.0001514400000000, 0.0000000000000000, -0.0002731600000000 ] - [ 0.0012571000000000, -0.0008670200000000, -0.0012037700000000 ] - [ 0.0001054300000000, -0.0000541500000000, -0.0003058000000000 ] - [ -0.0000919400000000, 0.0000000000000000, 0.0003055600000000 ] - [ -0.0001636800000000, 0.0000000000000000, 0.0004138500000000 ] - [ -0.0001101000000000, -0.0000073700000000, 0.0002881400000000 ] - [ -0.0001465600000000, -0.0000388200000000, 0.0003244900000000 ] - [ -0.0001101000000000, 0.0000073700000000, 0.0002881400000000 ] - [ -0.0001465600000000, 0.0000388200000000, 0.0003244900000000 ] - [ 0.0044389900000000, 0.0000000000000000, 0.0012292300000000 ] - [ 0.0031001200000000, 0.0000000000000000, 0.0011978800000000 ] - [ 0.0040000200000000, -0.0001291200000000, 0.0012795400000000 ] - [ 0.0036747500000000, -0.0000666900000000, 0.0011178400000000 ] - [ 0.0040000200000000, 0.0001291200000000, 0.0012795400000000 ] - [ 0.0036747500000000, 0.0000666900000000, 0.0011178400000000 ] - [ -0.0038725800000000, 0.0000996000000000, 0.0013995800000000 ] - [ -0.0036898900000000, 0.0000194800000000, 0.0013548000000000 ] - [ -0.0038104900000000, 0.0000000000000000, 0.0013088300000000 ] - [ -0.0037490400000000, 0.0000000000000000, 0.0012961300000000 ] - [ -0.0038725800000000, -0.0000996000000000, 0.0013995800000000 ] - [ -0.0036898900000000, -0.0000194800000000, 0.0013548000000000 ] - [ 0.0039994100000000, 0.0000000000000000, 0.0001941800000000 ] - [ 0.0037553300000000, 0.0000000000000000, -0.0011823200000000 ] - [ 0.0037670000000000, 0.0001856900000000, -0.0011079600000000 ] - [ 0.0037707200000000, 0.0000156000000000, -0.0011920000000000 ] - [ 0.0037670000000000, -0.0001856900000000, -0.0011079600000000 ] - [ 0.0037707200000000, -0.0000156000000000, -0.0011920000000000 ] - [ -0.0001965900000000, 0.0000000000000000, 0.0000397500000000 ] - [ -0.0001735600000000, 0.0000000000000000, -0.0001350600000000 ] - [ -0.0001848900000000, 0.0000137200000000, -0.0000573400000000 ] - [ -0.0001676800000000, -0.0000039200000000, -0.0001499400000000 ] - [ -0.0001848900000000, -0.0000137200000000, -0.0000573400000000 ] - [ -0.0001676800000000, 0.0000039200000000, -0.0001499400000000 ] - [ 0.0160742700000000, 0.0000000000000000, -0.0196882300000000 ] - [ 0.0153577800000000, 0.0000000000000000, 0.0080861900000000 ] - [ 0.0148048500000000, -0.0005164500000000, 0.0076797900000000 ] - [ 0.0153703100000000, -0.0000188200000000, 0.0080893200000000 ] - [ 0.0148048500000000, 0.0005164500000000, 0.0076797900000000 ] - [ 0.0153703100000000, 0.0000188200000000, 0.0080893200000000 ] - [ -0.0153228800000000, 0.0000423700000000, 0.0083500200000000 ] - [ -0.0153702400000000, 0.0000126900000000, 0.0082185200000000 ] - [ -0.0153774800000000, 0.0000000000000000, 0.0082547500000000 ] - [ -0.0153694700000000, 0.0000000000000000, 0.0082100600000000 ] - [ -0.0153228800000000, -0.0000423700000000, 0.0083500200000000 ] - [ -0.0153702400000000, -0.0000126900000000, 0.0082185200000000 ] - [ -0.0152585100000000, -0.0001062000000000, -0.0080197900000000 ] - [ -0.0154929500000000, -0.0000141800000000, -0.0080446200000000 ] - [ -0.0152899500000000, 0.0000000000000000, -0.0080633300000000 ] - [ -0.0153819600000000, 0.0000000000000000, -0.0081015900000000 ] - [ -0.0152585100000000, 0.0001062000000000, -0.0080197900000000 ] - [ -0.0154929500000000, 0.0000141800000000, -0.0080446200000000 ] - [ 0.0150540500000000, 0.0000000000000000, -0.0082910000000000 ] - [ 0.0156306200000000, 0.0000000000000000, -0.0082912700000000 ] - [ 0.0153317700000000, 0.0000464300000000, -0.0082668300000000 ] - [ 0.0155101300000000, 0.0001820500000000, -0.0082671800000000 ] - [ 0.0153317700000000, -0.0000464300000000, -0.0082668300000000 ] - [ 0.0155101300000000, -0.0001820500000000, -0.0082671800000000 ] - [ 0.0004902200000000, -0.0001470700000000, -0.0007136300000000 ] - [ 0.0004649900000000, -0.0000044600000000, -0.0004795800000000 ] - [ 0.0004804800000000, 0.0000000000000000, -0.0005197500000000 ] - [ 0.0004647900000000, 0.0000000000000000, -0.0004729500000000 ] - [ 0.0004902200000000, 0.0001470700000000, -0.0007136300000000 ] - [ 0.0004649900000000, 0.0000044600000000, -0.0004795800000000 ] - [ 0.0026075000000000, 0.0000000000000000, 0.0219348500000000 ] - [ -0.0012216300000000, 0.0000000000000000, 0.0003287100000000 ] - [ -0.0011250400000000, -0.0003516600000000, 0.0007057700000000 ] - [ -0.0012382800000000, -0.0000065600000000, 0.0003204500000000 ] - [ -0.0011250400000000, 0.0003516600000000, 0.0007057700000000 ] - [ -0.0012382800000000, 0.0000065600000000, 0.0003204500000000 ] - [ -0.0094740900000000, 0.0000000000000000, 0.0038016800000000 ] - [ -0.0004956200000000, 0.0000000000000000, -0.0003256100000000 ] - [ -0.0003215800000000, 0.0001950600000000, -0.0002221900000000 ] - [ -0.0005208800000000, 0.0000010000000000, -0.0003515700000000 ] - [ -0.0003215800000000, -0.0001950600000000, -0.0002221900000000 ] - [ -0.0005208800000000, -0.0000010000000000, -0.0003515700000000 ] - [ 0.0143536900000000, 0.0000000000000000, 0.0081242500000000 ] - [ 0.0146861600000000, 0.0000000000000000, 0.0085151100000000 ] - [ 0.0145415300000000, 0.0000898200000000, 0.0084576900000000 ] - [ 0.0146496700000000, 0.0000381600000000, 0.0085545600000000 ] - [ 0.0145415300000000, -0.0000898200000000, 0.0084576900000000 ] - [ 0.0146496700000000, -0.0000381600000000, 0.0085545600000000 ] - [ -0.0145053100000000, -0.0001131800000000, 0.0085803200000000 ] - [ -0.0149939000000000, -0.0003134300000000, 0.0084966900000000 ] - [ -0.0145826200000000, 0.0000000000000000, 0.0085977400000000 ] - [ -0.0146316000000000, 0.0000000000000000, 0.0085899500000000 ] - [ -0.0145053100000000, 0.0001131800000000, 0.0085803200000000 ] - [ -0.0149939000000000, 0.0003134300000000, 0.0084966900000000 ] - [ 0.0012636600000000, 0.0000143400000000, -0.0000466700000000 ] - [ 0.0012311200000000, 0.0000012000000000, 0.0001558000000000 ] - [ 0.0012547000000000, 0.0000000000000000, 0.0000997600000000 ] - [ 0.0012298900000000, 0.0000000000000000, 0.0001652600000000 ] - [ 0.0012636600000000, -0.0000143400000000, -0.0000466700000000 ] - [ 0.0012311200000000, -0.0000012000000000, 0.0001558000000000 ] - [ 0.0145227700000000, 0.0000000000000000, -0.0087912600000000 ] - [ 0.0146441300000000, 0.0000000000000000, -0.0086538000000000 ] - [ 0.0145958200000000, -0.0000352000000000, -0.0086722000000000 ] - [ 0.0146210100000000, -0.0000150900000000, -0.0086306500000000 ] - [ 0.0145958200000000, 0.0000352000000000, -0.0086722000000000 ] - [ 0.0146210100000000, 0.0000150900000000, -0.0086306500000000 ] - [ -0.0123825400000000, -0.0028296100000000, -0.0077448900000000 ] - [ -0.0145588600000000, 0.0000302400000000, -0.0084924000000000 ] - [ -0.0145129600000000, 0.0000000000000000, -0.0084179300000000 ] - [ -0.0146048400000000, 0.0000000000000000, -0.0085163000000000 ] - [ -0.0123825400000000, 0.0028296100000000, -0.0077448900000000 ] - [ -0.0145588600000000, -0.0000302400000000, -0.0084924000000000 ] - [ 0.0002312900000000, 0.0000000000000000, 0.0000626700000000 ] - [ -0.0005839200000000, 0.0000000000000000, 0.0004214100000000 ] - [ -0.0003893400000000, -0.0001220500000000, 0.0003797600000000 ] - [ -0.0005910100000000, -0.0000381700000000, 0.0003983900000000 ] - [ -0.0003893400000000, 0.0001220500000000, 0.0003797600000000 ] - [ -0.0005910100000000, 0.0000381700000000, 0.0003983900000000 ] - [ -0.0009051700000000, 0.0000000000000000, 0.0000507400000000 ] - [ -0.0013748200000000, 0.0000000000000000, 0.0002860000000000 ] - [ -0.0012574300000000, -0.0000607600000000, 0.0000240600000000 ] - [ -0.0013193900000000, -0.0000744600000000, -0.0000788500000000 ] - [ -0.0012574300000000, 0.0000607600000000, 0.0000240600000000 ] - [ -0.0013193900000000, 0.0000744600000000, -0.0000788500000000 ] - [ 0.0003610600000000, 0.0000226300000000, 0.0003495500000000 ] - [ 0.0007024100000000, 0.0001338400000000, 0.0002091200000000 ] - [ 0.0003995000000000, 0.0000000000000000, 0.0003527400000000 ] - [ 0.0005288100000000, 0.0000000000000000, 0.0003730200000000 ] - [ 0.0003610600000000, -0.0000226300000000, 0.0003495500000000 ] - [ 0.0007024100000000, -0.0001338400000000, 0.0002091200000000 ] - [ 0.0012116500000000, 0.0000181600000000, -0.0004475900000000 ] - [ 0.0012408000000000, 0.0000022500000000, -0.0003898000000000 ] - [ 0.0012183300000000, 0.0000000000000000, -0.0003804700000000 ] - [ 0.0012348900000000, 0.0000000000000000, -0.0003267700000000 ] - [ 0.0012116500000000, -0.0000181600000000, -0.0004475900000000 ] - [ 0.0012408000000000, -0.0000022500000000, -0.0003898000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0011928100000000, -0.0011751700000000, 0.0003789900000000 ] - [ 0.0000815000000000, -0.0000065000000000, 0.0002908800000000 ] - [ 0.0001885800000000, 0.0000000000000000, 0.0003786200000000 ] - [ 0.0001022900000000, 0.0000000000000000, 0.0002662700000000 ] - [ 0.0011928100000000, 0.0011751700000000, 0.0003789900000000 ] - [ 0.0000815000000000, 0.0000065000000000, 0.0002908800000000 ] - [ -0.0036732100000000, 0.0007045400000000, -0.0020549800000000 ] - [ -0.0037819800000000, 0.0000037100000000, -0.0011989800000000 ] - [ -0.0037379100000000, 0.0000000000000000, -0.0013090900000000 ] - [ -0.0037892300000000, 0.0000000000000000, -0.0012034200000000 ] - [ -0.0036732100000000, -0.0007045400000000, -0.0020549800000000 ] - [ -0.0037819800000000, -0.0000037100000000, -0.0011989800000000 ] - [ -0.0009508800000000, -0.0008656000000000, 0.0007788400000000 ] - [ 0.0001992200000000, -0.0000542200000000, -0.0001170500000000 ] - [ 0.0001919500000000, 0.0000000000000000, 0.0000136100000000 ] - [ 0.0001531000000000, 0.0000000000000000, -0.0001496600000000 ] - [ -0.0009508800000000, 0.0008656000000000, 0.0007788400000000 ] - [ 0.0001992200000000, 0.0000542200000000, -0.0001170500000000 ] - [ -0.0002142700000000, 0.0000000000000000, 0.0001122600000000 ] - [ -0.0001419400000000, 0.0000000000000000, 0.0000045500000000 ] - [ -0.0001958600000000, 0.0000074700000000, 0.0001299200000000 ] - [ -0.0001591100000000, 0.0000386600000000, 0.0000937700000000 ] - [ -0.0001958600000000, -0.0000074700000000, 0.0001299200000000 ] - [ -0.0001591100000000, -0.0000386600000000, 0.0000937700000000 ] - [ 0.0030930500000000, 0.0000000000000000, 0.0011986000000000 ] - [ 0.0044417100000000, 0.0000000000000000, 0.0012301400000000 ] - [ 0.0035434100000000, 0.0001284600000000, 0.0011493000000000 ] - [ 0.0038683400000000, 0.0000665900000000, 0.0013113000000000 ] - [ 0.0035434100000000, -0.0001284600000000, 0.0011493000000000 ] - [ 0.0038683400000000, -0.0000665900000000, 0.0013113000000000 ] - [ -0.0036715000000000, -0.0000997200000000, 0.0010293900000000 ] - [ -0.0038543200000000, -0.0000195100000000, 0.0010744000000000 ] - [ -0.0037336200000000, 0.0000000000000000, 0.0011203300000000 ] - [ -0.0037950100000000, 0.0000000000000000, 0.0011330400000000 ] - [ -0.0036715000000000, 0.0000997200000000, 0.0010293900000000 ] - [ -0.0038543200000000, 0.0000195100000000, 0.0010744000000000 ] - [ 0.0035430400000000, 0.0000000000000000, -0.0026311000000000 ] - [ 0.0037878200000000, 0.0000000000000000, -0.0012517200000000 ] - [ 0.0037761700000000, -0.0001860300000000, -0.0013261000000000 ] - [ 0.0037723900000000, -0.0000155800000000, -0.0012420400000000 ] - [ 0.0037761700000000, 0.0001860300000000, -0.0013261000000000 ] - [ 0.0037723900000000, 0.0000155800000000, -0.0012420400000000 ] - [ -0.0001087500000000, 0.0000000000000000, -0.0004636700000000 ] - [ -0.0001322600000000, 0.0000000000000000, -0.0002878800000000 ] - [ -0.0001207300000000, -0.0000136200000000, -0.0003657100000000 ] - [ -0.0001381300000000, 0.0000038800000000, -0.0002728700000000 ] - [ -0.0001207300000000, 0.0000136200000000, -0.0003657100000000 ] - [ -0.0001381300000000, -0.0000038800000000, -0.0002728700000000 ] - [ 0.0142493800000000, 0.0000000000000000, 0.0351419500000000 ] - [ 0.0153626900000000, 0.0000000000000000, 0.0082229200000000 ] - [ 0.0159174100000000, 0.0005162000000000, 0.0086299800000000 ] - [ 0.0153491600000000, 0.0000189300000000, 0.0082213400000000 ] - [ 0.0159174100000000, -0.0005162000000000, 0.0086299800000000 ] - [ 0.0153491600000000, -0.0000189300000000, 0.0082213400000000 ] - [ -0.0154000600000000, -0.0000426000000000, 0.0079603000000000 ] - [ -0.0153532000000000, -0.0000129300000000, 0.0080915200000000 ] - [ -0.0153456400000000, 0.0000000000000000, 0.0080557700000000 ] - [ -0.0153535400000000, 0.0000000000000000, 0.0081002200000000 ] - [ -0.0154000600000000, 0.0000426000000000, 0.0079603000000000 ] - [ -0.0153532000000000, 0.0000129300000000, 0.0080915200000000 ] - [ -0.0154624900000000, 0.0001074900000000, -0.0082957600000000 ] - [ -0.0152281500000000, 0.0000142300000000, -0.0082702200000000 ] - [ -0.0154307400000000, 0.0000000000000000, -0.0082520100000000 ] - [ -0.0153388900000000, 0.0000000000000000, -0.0082132000000000 ] - [ -0.0154624900000000, -0.0001074900000000, -0.0082957600000000 ] - [ -0.0152281500000000, -0.0000142300000000, -0.0082702200000000 ] - [ 0.0156692100000000, 0.0000000000000000, -0.0080233000000000 ] - [ 0.0150912200000000, 0.0000000000000000, -0.0080236600000000 ] - [ 0.0153907000000000, -0.0000464200000000, -0.0080477100000000 ] - [ 0.0152120800000000, -0.0001825600000000, -0.0080479300000000 ] - [ 0.0153907000000000, 0.0000464200000000, -0.0080477100000000 ] - [ 0.0152120800000000, 0.0001825600000000, -0.0080479300000000 ] - [ 0.0004742700000000, 0.0001472400000000, -0.0001143600000000 ] - [ 0.0004995800000000, 0.0000045700000000, -0.0003487600000000 ] - [ 0.0004838200000000, 0.0000000000000000, -0.0003088600000000 ] - [ 0.0004994900000000, 0.0000000000000000, -0.0003556800000000 ] - [ 0.0004742700000000, -0.0001472400000000, -0.0001143600000000 ] - [ 0.0004995800000000, -0.0000045700000000, -0.0003487600000000 ] - [ -0.0048013300000000, 0.0000000000000000, -0.0202443800000000 ] - [ -0.0012494700000000, 0.0000000000000000, 0.0001452100000000 ] - [ -0.0013469500000000, 0.0003513500000000, -0.0002334500000000 ] - [ -0.0012327200000000, 0.0000066700000000, 0.0001528800000000 ] - [ -0.0013469500000000, -0.0003513500000000, -0.0002334500000000 ] - [ -0.0012327200000000, -0.0000066700000000, 0.0001528800000000 ] - [ 0.0086932600000000, 0.0000000000000000, -0.0046583600000000 ] - [ -0.0004691500000000, 0.0000000000000000, -0.0005042100000000 ] - [ -0.0006439200000000, -0.0001949000000000, -0.0006075300000000 ] - [ -0.0004443800000000, -0.0000011000000000, -0.0004779100000000 ] - [ -0.0006439200000000, 0.0001949000000000, -0.0006075300000000 ] - [ -0.0004443800000000, 0.0000011000000000, -0.0004779100000000 ] - [ 0.0148560100000000, 0.0000000000000000, 0.0090196600000000 ] - [ 0.0145216100000000, 0.0000000000000000, 0.0086234700000000 ] - [ 0.0146663600000000, -0.0000900100000000, 0.0086804700000000 ] - [ 0.0145583200000000, -0.0000379800000000, 0.0085839900000000 ] - [ 0.0146663600000000, 0.0000900100000000, 0.0086804700000000 ] - [ 0.0145583200000000, 0.0000379800000000, 0.0085839900000000 ] - [ -0.0147034100000000, 0.0001134300000000, 0.0085580900000000 ] - [ -0.0142146300000000, 0.0003137000000000, 0.0086417800000000 ] - [ -0.0146261300000000, 0.0000000000000000, 0.0085405900000000 ] - [ -0.0145771600000000, 0.0000000000000000, 0.0085485100000000 ] - [ -0.0147034100000000, -0.0001134300000000, 0.0085580900000000 ] - [ -0.0142146300000000, -0.0003137000000000, 0.0086417800000000 ] - [ 0.0012057800000000, -0.0000144400000000, 0.0005203800000000 ] - [ 0.0012388500000000, -0.0000012100000000, 0.0003179300000000 ] - [ 0.0012151400000000, 0.0000000000000000, 0.0003737700000000 ] - [ 0.0012401700000000, 0.0000000000000000, 0.0003075000000000 ] - [ 0.0012057800000000, 0.0000144400000000, 0.0005203800000000 ] - [ 0.0012388500000000, 0.0000012100000000, 0.0003179300000000 ] - [ 0.0146849300000000, 0.0000000000000000, -0.0083518000000000 ] - [ 0.0145637100000000, 0.0000000000000000, -0.0084893700000000 ] - [ 0.0146118700000000, 0.0000351800000000, -0.0084709500000000 ] - [ 0.0145866900000000, 0.0000150200000000, -0.0085125600000000 ] - [ 0.0146118700000000, -0.0000351800000000, -0.0084709500000000 ] - [ 0.0145866900000000, -0.0000150200000000, -0.0085125600000000 ] - [ -0.0168272200000000, 0.0028008300000000, -0.0093821300000000 ] - [ -0.0146496500000000, -0.0000302800000000, -0.0086507700000000 ] - [ -0.0146953700000000, 0.0000000000000000, -0.0087249800000000 ] - [ -0.0146041300000000, 0.0000000000000000, -0.0086271200000000 ] - [ -0.0168272200000000, -0.0028008300000000, -0.0093821300000000 ] - [ -0.0146496500000000, 0.0000302800000000, -0.0086507700000000 ] - [ -0.0011964500000000, 0.0000000000000000, 0.0007610500000000 ] - [ -0.0003809300000000, 0.0000000000000000, 0.0004023900000000 ] - [ -0.0005758900000000, 0.0001220300000000, 0.0004440700000000 ] - [ -0.0003738300000000, 0.0000382200000000, 0.0004254600000000 ] - [ -0.0005758900000000, -0.0001220300000000, 0.0004440700000000 ] - [ -0.0003738300000000, -0.0000382200000000, 0.0004254600000000 ] - [ -0.0015664600000000, 0.0000000000000000, -0.0005288800000000 ] - [ -0.0010965000000000, 0.0000000000000000, -0.0007660200000000 ] - [ -0.0012127600000000, 0.0000605000000000, -0.0005027700000000 ] - [ -0.0011510700000000, 0.0000745500000000, -0.0003991200000000 ] - [ -0.0012127600000000, -0.0000605000000000, -0.0005027700000000 ] - [ -0.0011510700000000, -0.0000745500000000, -0.0003991200000000 ] - [ 0.0006038500000000, -0.0000230600000000, 0.0004748500000000 ] - [ 0.0002621400000000, -0.0001330600000000, 0.0006151700000000 ] - [ 0.0005647600000000, 0.0000000000000000, 0.0004717100000000 ] - [ 0.0004354400000000, 0.0000000000000000, 0.0004517500000000 ] - [ 0.0006038500000000, 0.0000230600000000, 0.0004748500000000 ] - [ 0.0002621400000000, 0.0001330600000000, 0.0006151700000000 ] - [ 0.0012586000000000, -0.0000183900000000, -0.0000302300000000 ] - [ 0.0012292000000000, -0.0000021100000000, -0.0000889100000000 ] - [ 0.0012518900000000, 0.0000000000000000, -0.0000967800000000 ] - [ 0.0012352800000000, 0.0000000000000000, -0.0001511200000000 ] - [ 0.0012586000000000, 0.0000183900000000, -0.0000302300000000 ] - [ 0.0012292000000000, 0.0000021100000000, -0.0000889100000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003366700000000, 0.0000000000000000, -0.0001570300000000 ] - [ -0.0000087300000000, 0.0000000000000000, 0.0002942600000000 ] - [ 0.0003128500000000, 0.0001272100000000, 0.0000466500000000 ] - [ 0.0000268600000000, -0.0000128500000000, 0.0002802600000000 ] - [ 0.0003128500000000, -0.0001272100000000, 0.0000466500000000 ] - [ 0.0000268600000000, 0.0000128500000000, 0.0002802600000000 ] - [ -0.0035017000000000, 0.0000000000000000, -0.0014950200000000 ] - [ -0.0039463200000000, 0.0000000000000000, -0.0012028200000000 ] - [ -0.0036223700000000, -0.0000108800000000, -0.0012730400000000 ] - [ -0.0038941100000000, 0.0000088900000000, -0.0012164900000000 ] - [ -0.0036223700000000, 0.0000108800000000, -0.0012730400000000 ] - [ -0.0038941100000000, -0.0000088900000000, -0.0012164900000000 ] - [ 0.0002761100000000, 0.0000000000000000, -0.0000980400000000 ] - [ 0.0000077300000000, 0.0000000000000000, -0.0003151200000000 ] - [ 0.0002542800000000, -0.0000152800000000, -0.0001477100000000 ] - [ 0.0000402800000000, 0.0000336700000000, -0.0002713500000000 ] - [ 0.0002542800000000, 0.0000152800000000, -0.0001477100000000 ] - [ 0.0000402800000000, -0.0000336700000000, -0.0002713500000000 ] - [ -0.0003611300000000, -0.0002203100000000, 0.0003505500000000 ] - [ -0.0003711200000000, 0.0001956300000000, -0.0001579900000000 ] - [ -0.0003611300000000, 0.0002203100000000, 0.0003505500000000 ] - [ -0.0003711200000000, -0.0001956300000000, -0.0001579900000000 ] - [ -0.0002048100000000, 0.0000000000000000, 0.0002523100000000 ] - [ -0.0001620600000000, 0.0000000000000000, 0.0001004400000000 ] - [ 0.0038115900000000, -0.0000425800000000, 0.0012350000000000 ] - [ 0.0037203000000000, 0.0000265300000000, 0.0011700500000000 ] - [ 0.0038115900000000, 0.0000425800000000, 0.0012350000000000 ] - [ 0.0037203000000000, -0.0000265300000000, 0.0011700500000000 ] - [ 0.0037974000000000, 0.0000000000000000, 0.0012174900000000 ] - [ 0.0037401700000000, 0.0000000000000000, 0.0011842200000000 ] - [ -0.0020567500000000, 0.0000000000000000, 0.0013562600000000 ] - [ -0.0043545900000000, 0.0000000000000000, 0.0014141700000000 ] - [ -0.0038170100000000, 0.0003549100000000, 0.0012785800000000 ] - [ -0.0041208700000000, -0.0002358700000000, 0.0013886000000000 ] - [ -0.0038170100000000, -0.0003549100000000, 0.0012785800000000 ] - [ -0.0041208700000000, 0.0002358700000000, 0.0013886000000000 ] - [ 0.0058594700000000, -0.0022473500000000, -0.0030603200000000 ] - [ 0.0034894600000000, -0.0000390400000000, -0.0012296000000000 ] - [ 0.0058594700000000, 0.0022473500000000, -0.0030603200000000 ] - [ 0.0034894600000000, 0.0000390400000000, -0.0012296000000000 ] - [ 0.0040371100000000, 0.0000000000000000, -0.0011687800000000 ] - [ 0.0035736900000000, 0.0000000000000000, -0.0012095400000000 ] - [ 0.0009403200000000, -0.0000755200000000, -0.0000487200000000 ] - [ -0.0004232000000000, -0.0000037800000000, -0.0001879600000000 ] - [ 0.0009403200000000, 0.0000755200000000, -0.0000487200000000 ] - [ -0.0004232000000000, 0.0000037800000000, -0.0001879600000000 ] - [ 0.0001166600000000, 0.0000000000000000, -0.0002232700000000 ] - [ -0.0003601600000000, 0.0000000000000000, -0.0001858700000000 ] - [ 0.0154623800000000, -0.0000027600000000, 0.0081678900000000 ] - [ 0.0152646900000000, 0.0000021200000000, 0.0081429800000000 ] - [ 0.0154623800000000, 0.0000027600000000, 0.0081678900000000 ] - [ 0.0152646900000000, -0.0000021200000000, 0.0081429800000000 ] - [ 0.0154409700000000, 0.0000000000000000, 0.0081586700000000 ] - [ 0.0152864000000000, 0.0000000000000000, 0.0081431200000000 ] - [ 0.0041704400000000, 0.0000000000000000, 0.0175487300000000 ] - [ -0.0156120400000000, 0.0000000000000000, 0.0081720400000000 ] - [ -0.0146781600000000, -0.0006022000000000, 0.0079984200000000 ] - [ -0.0155790100000000, 0.0001412300000000, 0.0081975000000000 ] - [ -0.0146781600000000, 0.0006022000000000, 0.0079984200000000 ] - [ -0.0155790100000000, -0.0001412300000000, 0.0081975000000000 ] - [ -0.0151154100000000, 0.0000000000000000, -0.0074483000000000 ] - [ -0.0154864700000000, 0.0000000000000000, -0.0082606200000000 ] - [ -0.0153249900000000, 0.0000440100000000, -0.0080667900000000 ] - [ -0.0154111300000000, -0.0000053800000000, -0.0082683800000000 ] - [ -0.0153249900000000, -0.0000440100000000, -0.0080667900000000 ] - [ -0.0154111300000000, 0.0000053800000000, -0.0082683800000000 ] - [ 0.0150142000000000, -0.0000646600000000, -0.0083794900000000 ] - [ 0.0152271000000000, 0.0001408100000000, -0.0080385300000000 ] - [ 0.0150142000000000, 0.0000646600000000, -0.0083794900000000 ] - [ 0.0152271000000000, -0.0001408100000000, -0.0080385300000000 ] - [ 0.0154162700000000, 0.0000000000000000, -0.0082069900000000 ] - [ 0.0152539200000000, 0.0000000000000000, -0.0080779100000000 ] - [ -0.0355900400000000, 0.0000000000000000, -0.0094943300000000 ] - [ 0.0008209900000000, 0.0000000000000000, -0.0003917200000000 ] - [ -0.0001864200000000, -0.0001291100000000, -0.0004254000000000 ] - [ 0.0007752600000000, -0.0000237400000000, -0.0003966800000000 ] - [ -0.0001864200000000, 0.0001291100000000, -0.0004254000000000 ] - [ 0.0007752600000000, 0.0000237400000000, -0.0003966800000000 ] - [ -0.0014778700000000, 0.0000125700000000, 0.0001765500000000 ] - [ -0.0010826800000000, 0.0000125600000000, 0.0002595500000000 ] - [ -0.0014778700000000, -0.0000125700000000, 0.0001765500000000 ] - [ -0.0010826800000000, -0.0000125600000000, 0.0002595500000000 ] - [ -0.0013866100000000, 0.0000000000000000, 0.0002173100000000 ] - [ -0.0011096600000000, 0.0000000000000000, 0.0002540600000000 ] - [ -0.0005921500000000, -0.0000312900000000, -0.0003697900000000 ] - [ -0.0003558500000000, 0.0000199700000000, -0.0004065600000000 ] - [ -0.0005921500000000, 0.0000312900000000, -0.0003697900000000 ] - [ -0.0003558500000000, -0.0000199700000000, -0.0004065600000000 ] - [ -0.0005817000000000, 0.0000000000000000, -0.0003968200000000 ] - [ -0.0003923200000000, 0.0000000000000000, -0.0004037200000000 ] - [ 0.0143837700000000, 0.0001081400000000, 0.0084045100000000 ] - [ 0.0147368900000000, -0.0000242400000000, 0.0086239900000000 ] - [ 0.0143837700000000, -0.0001081400000000, 0.0084045100000000 ] - [ 0.0147368900000000, 0.0000242400000000, 0.0086239900000000 ] - [ 0.0144845400000000, 0.0000000000000000, 0.0085417200000000 ] - [ 0.0147140800000000, 0.0000000000000000, 0.0086271300000000 ] - [ -0.0142906600000000, 0.0000000000000000, 0.0088169600000000 ] - [ -0.0143636400000000, 0.0000000000000000, 0.0081386600000000 ] - [ -0.0144454400000000, -0.0001581800000000, 0.0085907200000000 ] - [ -0.0145676800000000, 0.0001391000000000, 0.0084208100000000 ] - [ -0.0144454400000000, 0.0001581800000000, 0.0085907200000000 ] - [ -0.0145676800000000, -0.0001391000000000, 0.0084208100000000 ] - [ 0.0017475800000000, 0.0000000000000000, 0.0039595600000000 ] - [ 0.0014574000000000, 0.0000000000000000, 0.0001713500000000 ] - [ 0.0009039300000000, 0.0000646100000000, 0.0004353200000000 ] - [ 0.0014000100000000, -0.0000487500000000, 0.0001728900000000 ] - [ 0.0009039300000000, -0.0000646100000000, 0.0004353200000000 ] - [ 0.0014000100000000, 0.0000487500000000, 0.0001728900000000 ] - [ 0.0179521100000000, -0.0036612500000000, -0.0083697000000000 ] - [ 0.0149886900000000, 0.0002437000000000, -0.0086760600000000 ] - [ 0.0179521100000000, 0.0036612500000000, -0.0083697000000000 ] - [ 0.0149886900000000, -0.0002437000000000, -0.0086760600000000 ] - [ 0.0144583400000000, 0.0000000000000000, -0.0085556200000000 ] - [ 0.0147235800000000, 0.0000000000000000, -0.0086064300000000 ] - [ -0.0147460100000000, 0.0000000000000000, -0.0085524700000000 ] - [ -0.0144986200000000, 0.0000000000000000, -0.0085522200000000 ] - [ -0.0147032100000000, -0.0000060700000000, -0.0085689200000000 ] - [ -0.0145132700000000, -0.0000030700000000, -0.0085531200000000 ] - [ -0.0147032100000000, 0.0000060700000000, -0.0085689200000000 ] - [ -0.0145132700000000, 0.0000030700000000, -0.0085531200000000 ] - [ 0.0000025500000000, 0.0007514300000000, 0.0013688300000000 ] - [ -0.0002371300000000, -0.0000342300000000, 0.0003021000000000 ] - [ 0.0000025500000000, -0.0007514300000000, 0.0013688300000000 ] - [ -0.0002371300000000, 0.0000342300000000, 0.0003021000000000 ] - [ -0.0006006000000000, 0.0000000000000000, 0.0004227600000000 ] - [ -0.0003000600000000, 0.0000000000000000, 0.0003130600000000 ] - [ -0.0011986700000000, 0.0000282000000000, 0.0000250800000000 ] - [ -0.0011838900000000, -0.0000316200000000, -0.0003749700000000 ] - [ -0.0011986700000000, -0.0000282000000000, 0.0000250800000000 ] - [ -0.0011838900000000, 0.0000316200000000, -0.0003749700000000 ] - [ -0.0012321400000000, 0.0000000000000000, -0.0001643600000000 ] - [ -0.0012000100000000, 0.0000000000000000, -0.0003414400000000 ] - [ 0.0006698800000000, 0.0000000000000000, 0.0001193600000000 ] - [ 0.0006699600000000, 0.0000000000000000, 0.0005943300000000 ] - [ 0.0004972000000000, -0.0000386800000000, 0.0003627800000000 ] - [ 0.0004968400000000, 0.0000400100000000, 0.0004967200000000 ] - [ 0.0004972000000000, 0.0000386800000000, 0.0003627800000000 ] - [ 0.0004968400000000, -0.0000400100000000, 0.0004967200000000 ] - [ 0.0023049500000000, 0.0000000000000000, -0.0023978000000000 ] - [ 0.0014997800000000, 0.0000000000000000, -0.0000758500000000 ] - [ 0.0011771700000000, -0.0001710100000000, -0.0003593000000000 ] - [ 0.0014574200000000, 0.0000959600000000, -0.0000673800000000 ] - [ 0.0011771700000000, 0.0001710100000000, -0.0003593000000000 ] - [ 0.0014574200000000, -0.0000959600000000, -0.0000673800000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000325400000000, 0.0000000000000000, 0.0005801900000000 ] - [ 0.0003155900000000, 0.0000000000000000, 0.0001273800000000 ] - [ -0.0000079300000000, -0.0001280200000000, 0.0003760300000000 ] - [ 0.0002798900000000, 0.0000128400000000, 0.0001414600000000 ] - [ -0.0000079300000000, 0.0001280200000000, 0.0003760300000000 ] - [ 0.0002798900000000, -0.0000128400000000, 0.0001414600000000 ] - [ -0.0040434000000000, 0.0000000000000000, -0.0009334700000000 ] - [ -0.0035967600000000, 0.0000000000000000, -0.0012289000000000 ] - [ -0.0039221100000000, 0.0000111300000000, -0.0011578200000000 ] - [ -0.0036494100000000, -0.0000089300000000, -0.0012151600000000 ] - [ -0.0039221100000000, -0.0000111300000000, -0.0011578200000000 ] - [ -0.0036494100000000, 0.0000089300000000, -0.0012151600000000 ] - [ 0.0000297000000000, 0.0000000000000000, -0.0003241500000000 ] - [ 0.0002990500000000, 0.0000000000000000, -0.0001059100000000 ] - [ 0.0000515100000000, 0.0000153400000000, -0.0002744600000000 ] - [ 0.0002662700000000, -0.0000339200000000, -0.0001501900000000 ] - [ 0.0000515100000000, -0.0000153400000000, -0.0002744600000000 ] - [ 0.0002662700000000, 0.0000339200000000, -0.0001501900000000 ] - [ 0.0000559500000000, 0.0002217700000000, 0.0000701300000000 ] - [ 0.0000688400000000, -0.0001997100000000, 0.0005822200000000 ] - [ 0.0000559500000000, -0.0002217700000000, 0.0000701300000000 ] - [ 0.0000688400000000, 0.0001997100000000, 0.0005822200000000 ] - [ -0.0001013200000000, 0.0000000000000000, 0.0001691100000000 ] - [ -0.0001427100000000, 0.0000000000000000, 0.0003214200000000 ] - [ 0.0037322200000000, 0.0000428900000000, 0.0011966800000000 ] - [ 0.0038245800000000, -0.0000267900000000, 0.0012618100000000 ] - [ 0.0037322200000000, -0.0000428900000000, 0.0011966800000000 ] - [ 0.0038245800000000, 0.0000267900000000, 0.0012618100000000 ] - [ 0.0037466500000000, 0.0000000000000000, 0.0012141200000000 ] - [ 0.0038046000000000, 0.0000000000000000, 0.0012473800000000 ] - [ -0.0056444800000000, 0.0000000000000000, 0.0010475000000000 ] - [ -0.0031852300000000, 0.0000000000000000, 0.0010146900000000 ] - [ -0.0037278400000000, -0.0003576800000000, 0.0011523300000000 ] - [ -0.0034216600000000, 0.0002362500000000, 0.0010429500000000 ] - [ -0.0037278400000000, 0.0003576800000000, 0.0011523300000000 ] - [ -0.0034216600000000, -0.0002362500000000, 0.0010429500000000 ] - [ 0.0016768100000000, 0.0022194400000000, 0.0006007800000000 ] - [ 0.0040566000000000, 0.0000394600000000, -0.0012017100000000 ] - [ 0.0016768100000000, -0.0022194400000000, 0.0006007800000000 ] - [ 0.0040566000000000, -0.0000394600000000, -0.0012017100000000 ] - [ 0.0035069000000000, 0.0000000000000000, -0.0012639800000000 ] - [ 0.0039716000000000, 0.0000000000000000, -0.0012218700000000 ] - [ -0.0012508300000000, 0.0000802800000000, -0.0003805000000000 ] - [ 0.0001192200000000, 0.0000034400000000, -0.0002345400000000 ] - [ -0.0012508300000000, -0.0000802800000000, -0.0003805000000000 ] - [ 0.0001192200000000, -0.0000034400000000, -0.0002345400000000 ] - [ -0.0004235700000000, 0.0000000000000000, -0.0001979500000000 ] - [ 0.0000554700000000, 0.0000000000000000, -0.0002363500000000 ] - [ 0.0152530600000000, 0.0000027500000000, 0.0081440200000000 ] - [ 0.0154519700000000, -0.0000018300000000, 0.0081694300000000 ] - [ 0.0152530600000000, -0.0000027500000000, 0.0081440200000000 ] - [ 0.0154519700000000, 0.0000018300000000, 0.0081694300000000 ] - [ 0.0152744700000000, 0.0000000000000000, 0.0081535300000000 ] - [ 0.0154297900000000, 0.0000000000000000, 0.0081685200000000 ] - [ -0.0338944700000000, 0.0000000000000000, -0.0006350200000000 ] - [ -0.0151044600000000, 0.0000000000000000, 0.0081390500000000 ] - [ -0.0160391300000000, 0.0006028700000000, 0.0083132800000000 ] - [ -0.0151380500000000, -0.0001427900000000, 0.0081134800000000 ] - [ -0.0160391300000000, -0.0006028700000000, 0.0083132800000000 ] - [ -0.0151380500000000, 0.0001427900000000, 0.0081134800000000 ] - [ -0.0156033500000000, 0.0000000000000000, -0.0088683300000000 ] - [ -0.0152281600000000, 0.0000000000000000, -0.0080499200000000 ] - [ -0.0153911800000000, -0.0000438100000000, -0.0082453400000000 ] - [ -0.0153041800000000, 0.0000054000000000, -0.0080436300000000 ] - [ -0.0153911800000000, 0.0000438100000000, -0.0082453400000000 ] - [ -0.0153041800000000, -0.0000054000000000, -0.0080436300000000 ] - [ 0.0157063300000000, 0.0000656100000000, -0.0079299700000000 ] - [ 0.0154930300000000, -0.0001414100000000, -0.0082727100000000 ] - [ 0.0157063300000000, -0.0000656100000000, -0.0079299700000000 ] - [ 0.0154930300000000, 0.0001414100000000, -0.0082727100000000 ] - [ 0.0153018100000000, 0.0000000000000000, -0.0081046800000000 ] - [ 0.0154654000000000, 0.0000000000000000, -0.0082347200000000 ] - [ 0.0356356300000000, 0.0000000000000000, 0.0081423700000000 ] - [ 0.0001459900000000, 0.0000000000000000, -0.0004304300000000 ] - [ 0.0011578700000000, 0.0001265300000000, -0.0003962000000000 ] - [ 0.0001922600000000, 0.0000240000000000, -0.0004257400000000 ] - [ 0.0011578700000000, -0.0001265300000000, -0.0003962000000000 ] - [ 0.0001922600000000, -0.0000240000000000, -0.0004257400000000 ] - [ -0.0009894800000000, -0.0000125200000000, 0.0003018500000000 ] - [ -0.0013867300000000, -0.0000127800000000, 0.0002180100000000 ] - [ -0.0009894800000000, 0.0000125200000000, 0.0003018500000000 ] - [ -0.0013867300000000, 0.0000127800000000, 0.0002180100000000 ] - [ -0.0010812300000000, 0.0000000000000000, 0.0002611300000000 ] - [ -0.0013595300000000, 0.0000000000000000, 0.0002232700000000 ] - [ -0.0003755800000000, 0.0000313300000000, -0.0004540500000000 ] - [ -0.0006124400000000, -0.0000200400000000, -0.0004172800000000 ] - [ -0.0003755800000000, -0.0000313300000000, -0.0004540500000000 ] - [ -0.0006124400000000, 0.0000200400000000, -0.0004172800000000 ] - [ -0.0003868700000000, 0.0000000000000000, -0.0004263400000000 ] - [ -0.0005760900000000, 0.0000000000000000, -0.0004198600000000 ] - [ 0.0148244600000000, -0.0001087200000000, 0.0087360700000000 ] - [ 0.0144682400000000, 0.0000247200000000, 0.0085165100000000 ] - [ 0.0148244600000000, 0.0001087200000000, 0.0087360700000000 ] - [ 0.0144682400000000, -0.0000247200000000, 0.0085165100000000 ] - [ 0.0147224700000000, 0.0000000000000000, 0.0085990700000000 ] - [ 0.0144915900000000, 0.0000000000000000, 0.0085138100000000 ] - [ -0.0149169300000000, 0.0000000000000000, 0.0083206300000000 ] - [ -0.0148430800000000, 0.0000000000000000, 0.0090029900000000 ] - [ -0.0147610900000000, 0.0001591800000000, 0.0085500700000000 ] - [ -0.0146390400000000, -0.0001401400000000, 0.0087207600000000 ] - [ -0.0147610900000000, -0.0001591800000000, 0.0085500700000000 ] - [ -0.0146390400000000, 0.0001401400000000, 0.0087207600000000 ] - [ 0.0007275800000000, 0.0000000000000000, -0.0034647600000000 ] - [ 0.0010103200000000, 0.0000000000000000, 0.0003081300000000 ] - [ 0.0015650500000000, -0.0000658900000000, 0.0000417900000000 ] - [ 0.0010683200000000, 0.0000491300000000, 0.0003051500000000 ] - [ 0.0015650500000000, 0.0000658900000000, 0.0000417900000000 ] - [ 0.0010683200000000, -0.0000491300000000, 0.0003051500000000 ] - [ 0.0112934400000000, 0.0036143100000000, -0.0087700300000000 ] - [ 0.0142144400000000, -0.0002465800000000, -0.0084635500000000 ] - [ 0.0112934400000000, -0.0036143100000000, -0.0087700300000000 ] - [ 0.0142144400000000, 0.0002465800000000, -0.0084635500000000 ] - [ 0.0147470300000000, 0.0000000000000000, -0.0085852700000000 ] - [ 0.0144826800000000, 0.0000000000000000, -0.0085345500000000 ] - [ -0.0144586600000000, 0.0000000000000000, -0.0085888500000000 ] - [ -0.0147074100000000, 0.0000000000000000, -0.0085889200000000 ] - [ -0.0145017600000000, 0.0000060900000000, -0.0085722300000000 ] - [ -0.0146929000000000, 0.0000030600000000, -0.0085880000000000 ] - [ -0.0145017600000000, -0.0000060900000000, -0.0085722300000000 ] - [ -0.0146929000000000, -0.0000030600000000, -0.0085880000000000 ] - [ -0.0009734900000000, -0.0007589500000000, -0.0005559300000000 ] - [ -0.0007324200000000, 0.0000345100000000, 0.0005200600000000 ] - [ -0.0009734900000000, 0.0007589500000000, -0.0005559300000000 ] - [ -0.0007324200000000, -0.0000345100000000, 0.0005200600000000 ] - [ -0.0003665600000000, 0.0000000000000000, 0.0003996600000000 ] - [ -0.0006690800000000, 0.0000000000000000, 0.0005086800000000 ] - [ -0.0012697200000000, -0.0000284600000000, -0.0005047200000000 ] - [ -0.0012849300000000, 0.0000315900000000, -0.0001030900000000 ] - [ -0.0012697200000000, 0.0000284600000000, -0.0005047200000000 ] - [ -0.0012849300000000, -0.0000315900000000, -0.0001030900000000 ] - [ -0.0012362400000000, 0.0000000000000000, -0.0003137100000000 ] - [ -0.0012687600000000, 0.0000000000000000, -0.0001365100000000 ] - [ 0.0002981200000000, 0.0000000000000000, 0.0007057800000000 ] - [ 0.0002981500000000, 0.0000000000000000, 0.0002269500000000 ] - [ 0.0004716500000000, 0.0000389100000000, 0.0004606600000000 ] - [ 0.0004712300000000, -0.0000403300000000, 0.0003260700000000 ] - [ 0.0004716500000000, -0.0000389100000000, 0.0004606600000000 ] - [ 0.0004712300000000, 0.0000403300000000, 0.0003260700000000 ] - [ 0.0001529300000000, 0.0000000000000000, 0.0019471600000000 ] - [ 0.0009653900000000, 0.0000000000000000, -0.0004039000000000 ] - [ 0.0012938200000000, 0.0001712500000000, -0.0001171600000000 ] - [ 0.0010108000000000, -0.0000963200000000, -0.0004096500000000 ] - [ 0.0012938200000000, -0.0001712500000000, -0.0001171600000000 ] - [ 0.0010108000000000, 0.0000963200000000, -0.0004096500000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001529000000000, 0.0002783400000000, 0.0002103800000000 ] - [ 0.0001531400000000, 0.0000427800000000, 0.0002109400000000 ] - [ 0.0001810800000000, -0.0001383300000000, 0.0003107400000000 ] - [ 0.0001332900000000, -0.0000210300000000, 0.0002265000000000 ] - [ 0.0001253300000000, -0.0001385600000000, 0.0001113500000000 ] - [ 0.0001727500000000, -0.0000211700000000, 0.0001955200000000 ] - [ -0.0037731100000000, 0.0000802700000000, -0.0012154100000000 ] - [ -0.0037725200000000, 0.0000166900000000, -0.0012161900000000 ] - [ -0.0037790200000000, -0.0000416100000000, -0.0012869400000000 ] - [ -0.0037626600000000, -0.0000083300000000, -0.0012206200000000 ] - [ -0.0037665000000000, -0.0000418500000000, -0.0011456200000000 ] - [ -0.0037823100000000, -0.0000083900000000, -0.0012117800000000 ] - [ 0.0001529200000000, 0.0001083500000000, -0.0002111500000000 ] - [ 0.0001531200000000, 0.0000548400000000, -0.0002111100000000 ] - [ 0.0001270000000000, -0.0000546500000000, -0.0001523500000000 ] - [ 0.0001748700000000, -0.0000271100000000, -0.0001924400000000 ] - [ 0.0001789600000000, -0.0000547500000000, -0.0002694400000000 ] - [ 0.0001314300000000, -0.0000271900000000, -0.0002296300000000 ] - [ -0.0002102300000000, 0.0000544400000000, 0.0002404300000000 ] - [ -0.0000775600000000, 0.0000952800000000, 0.0003781000000000 ] - [ -0.0000954800000000, 0.0000550900000000, 0.0001815600000000 ] - [ -0.0002274600000000, 0.0000969800000000, 0.0000445300000000 ] - [ -0.0001527200000000, -0.0001095100000000, 0.0002109200000000 ] - [ -0.0001532400000000, -0.0001662900000000, 0.0002109400000000 ] - [ 0.0037517500000000, 0.0000231300000000, 0.0012185000000000 ] - [ 0.0037874400000000, 0.0000133300000000, 0.0012164800000000 ] - [ 0.0037938500000000, 0.0000232300000000, 0.0012137800000000 ] - [ 0.0037579900000000, 0.0000135600000000, 0.0012161300000000 ] - [ 0.0037727800000000, -0.0000466800000000, 0.0012161200000000 ] - [ 0.0037726700000000, -0.0000262600000000, 0.0012162700000000 ] - [ -0.0037679500000000, 0.0005421800000000, 0.0012170300000000 ] - [ -0.0037718900000000, 0.0002905700000000, 0.0012158700000000 ] - [ -0.0034758400000000, -0.0002368900000000, 0.0012553600000000 ] - [ -0.0039224200000000, -0.0001495800000000, 0.0012755100000000 ] - [ -0.0040678800000000, -0.0002370900000000, 0.0011776500000000 ] - [ -0.0036225100000000, -0.0001503400000000, 0.0011562400000000 ] - [ 0.0019007100000000, 0.0040208400000000, 0.0018306300000000 ] - [ 0.0037622000000000, 0.0000221700000000, -0.0012159400000000 ] - [ 0.0057134400000000, 0.0041186900000000, -0.0043795100000000 ] - [ 0.0037832500000000, 0.0000222400000000, -0.0012165500000000 ] - [ 0.0037721700000000, -0.0004865400000000, -0.0012155200000000 ] - [ 0.0037727400000000, -0.0000444300000000, -0.0012162300000000 ] - [ 0.0000700600000000, 0.0020059200000000, -0.0017547500000000 ] - [ -0.0001345300000000, 0.0000247300000000, -0.0002016700000000 ] - [ -0.0003878700000000, 0.0020597600000000, 0.0014083300000000 ] - [ -0.0001710700000000, 0.0000249400000000, -0.0002204600000000 ] - [ -0.0001530200000000, -0.0004774300000000, -0.0002118800000000 ] - [ -0.0001528600000000, -0.0000489700000000, -0.0002110300000000 ] - [ 0.0153167600000000, 0.0000279600000000, 0.0080089800000000 ] - [ 0.0153467600000000, 0.0000067500000000, 0.0081512500000000 ] - [ 0.0153991200000000, 0.0000282900000000, 0.0083037600000000 ] - [ 0.0153697600000000, 0.0000068000000000, 0.0081611000000000 ] - [ 0.0153583800000000, -0.0000534400000000, 0.0081563300000000 ] - [ 0.0153583100000000, -0.0000097600000000, 0.0081562600000000 ] - [ -0.0154007600000000, -0.0008209100000000, 0.0081369200000000 ] - [ -0.0153595600000000, 0.0000696400000000, 0.0081558700000000 ] - [ -0.0156392600000000, -0.0004607100000000, 0.0079603400000000 ] - [ -0.0153675900000000, -0.0000319300000000, 0.0081551400000000 ] - [ -0.0150834200000000, -0.0004617000000000, 0.0083506100000000 ] - [ -0.0153514900000000, -0.0000320500000000, 0.0081572300000000 ] - [ -0.0153579100000000, 0.0001302700000000, -0.0081553900000000 ] - [ -0.0153577600000000, 0.0000165400000000, -0.0081557700000000 ] - [ -0.0153657400000000, -0.0000751400000000, -0.0082787600000000 ] - [ -0.0153894700000000, -0.0000095400000000, -0.0081945800000000 ] - [ -0.0153502800000000, -0.0000753200000000, -0.0080346900000000 ] - [ -0.0153271500000000, -0.0000097000000000, -0.0081180500000000 ] - [ 0.0150013900000000, 0.0000609500000000, -0.0082894100000000 ] - [ 0.0153664800000000, 0.0001266200000000, -0.0081787600000000 ] - [ 0.0157181700000000, 0.0000609700000000, -0.0080225800000000 ] - [ 0.0153523100000000, 0.0001279600000000, -0.0081330900000000 ] - [ 0.0153601200000000, -0.0000844600000000, -0.0081557100000000 ] - [ 0.0153592600000000, -0.0002918900000000, -0.0081559800000000 ] - [ 0.0004617100000000, -0.0152256600000000, -0.0003354100000000 ] - [ 0.0004847400000000, -0.0000339300000000, -0.0004110100000000 ] - [ 0.0006136300000000, 0.0010881100000000, -0.0003444800000000 ] - [ 0.0005088400000000, 0.0000169200000000, -0.0004110900000000 ] - [ 0.0003582300000000, 0.0010792700000000, -0.0004779100000000 ] - [ 0.0004610500000000, 0.0000171300000000, -0.0004113100000000 ] - [ -0.0011865600000000, -0.0000591500000000, 0.0005846300000000 ] - [ -0.0012304900000000, -0.0000106200000000, 0.0002471500000000 ] - [ -0.0012827300000000, -0.0000595200000000, -0.0001133200000000 ] - [ -0.0012383800000000, -0.0000104800000000, 0.0002248700000000 ] - [ -0.0012345800000000, 0.0001011800000000, 0.0002359200000000 ] - [ -0.0012344400000000, 0.0000219100000000, 0.0002359600000000 ] - [ -0.0005158400000000, -0.0000231600000000, -0.0003769800000000 ] - [ -0.0004643900000000, -0.0000089600000000, -0.0004054800000000 ] - [ -0.0004524700000000, -0.0000230600000000, -0.0004470500000000 ] - [ -0.0005044200000000, -0.0000091100000000, -0.0004185200000000 ] - [ -0.0004846900000000, 0.0000469100000000, -0.0004115700000000 ] - [ -0.0004847700000000, 0.0000186200000000, -0.0004116400000000 ] - [ 0.0146780500000000, -0.0000816400000000, 0.0083831100000000 ] - [ 0.0145975900000000, -0.0000241600000000, 0.0085659400000000 ] - [ 0.0145304200000000, -0.0000824100000000, 0.0087602700000000 ] - [ 0.0146108700000000, -0.0000243700000000, 0.0085763200000000 ] - [ 0.0146044300000000, 0.0001398300000000, 0.0085712700000000 ] - [ 0.0146042600000000, 0.0000512000000000, 0.0085711000000000 ] - [ -0.0146041900000000, -0.0001990400000000, 0.0085712900000000 ] - [ -0.0146049300000000, -0.0004050900000000, 0.0085721800000000 ] - [ -0.0146963300000000, 0.0001197800000000, 0.0085542700000000 ] - [ -0.0143580500000000, 0.0002859100000000, 0.0084349200000000 ] - [ -0.0145124000000000, 0.0001200300000000, 0.0085880700000000 ] - [ -0.0148490100000000, 0.0002856400000000, 0.0087074000000000 ] - [ 0.0012318200000000, -0.0007084200000000, 0.0002268100000000 ] - [ 0.0012345000000000, -0.0000292000000000, 0.0002362500000000 ] - [ 0.0013809800000000, 0.0002320700000000, 0.0004529300000000 ] - [ 0.0012284600000000, 0.0000141200000000, 0.0002408800000000 ] - [ 0.0010896500000000, 0.0002323800000000, 0.0000192400000000 ] - [ 0.0012404100000000, 0.0000142100000000, 0.0002304900000000 ] - [ 0.0129277700000000, 0.0013561500000000, -0.0085011000000000 ] - [ 0.0146695400000000, -0.0000505100000000, -0.0085868400000000 ] - [ 0.0162774400000000, 0.0013462400000000, -0.0086407000000000 ] - [ 0.0145390400000000, -0.0000510000000000, -0.0085556600000000 ] - [ 0.0146047800000000, 0.0004981000000000, -0.0085711800000000 ] - [ 0.0146042700000000, 0.0000942100000000, -0.0085713000000000 ] - [ -0.0146041400000000, -0.0001241400000000, -0.0085712800000000 ] - [ -0.0146041300000000, -0.0000230400000000, -0.0085712000000000 ] - [ -0.0146120300000000, 0.0000607700000000, -0.0085925300000000 ] - [ -0.0146026400000000, 0.0000114700000000, -0.0085706800000000 ] - [ -0.0145961800000000, 0.0000607500000000, -0.0085499300000000 ] - [ -0.0146058800000000, 0.0000115900000000, -0.0085718000000000 ] - [ 0.0002692100000000, 0.0001195000000000, 0.0010097600000000 ] - [ -0.0005189100000000, -0.0000453100000000, 0.0004398600000000 ] - [ -0.0012415600000000, 0.0001197200000000, -0.0001908100000000 ] - [ -0.0004504600000000, -0.0000455700000000, 0.0003827800000000 ] - [ -0.0004852000000000, 0.0001998400000000, 0.0004106300000000 ] - [ -0.0004844300000000, 0.0001059500000000, 0.0004112100000000 ] - [ -0.0011862400000000, -0.0000302400000000, -0.0000929100000000 ] - [ -0.0012467900000000, -0.0000305900000000, -0.0002210800000000 ] - [ -0.0012825400000000, -0.0000302800000000, -0.0003793100000000 ] - [ -0.0012218100000000, -0.0000307300000000, -0.0002515500000000 ] - [ -0.0012344800000000, 0.0000566700000000, -0.0002361600000000 ] - [ -0.0012342900000000, 0.0000666400000000, -0.0002363100000000 ] - [ 0.0004849300000000, -0.0000416300000000, 0.0004112400000000 ] - [ 0.0004847000000000, -0.0000416500000000, 0.0004110200000000 ] - [ 0.0004443200000000, 0.0000214800000000, 0.0004483400000000 ] - [ 0.0005236900000000, 0.0000214000000000, 0.0004452000000000 ] - [ 0.0005242700000000, 0.0000214800000000, 0.0003755300000000 ] - [ 0.0004454300000000, 0.0000215500000000, 0.0003785200000000 ] - [ 0.0012366100000000, -0.0005135500000000, -0.0002387300000000 ] - [ 0.0012341500000000, -0.0000938200000000, -0.0002367400000000 ] - [ 0.0010442900000000, 0.0002055000000000, -0.0000762800000000 ] - [ 0.0013001300000000, 0.0000541700000000, -0.0001644300000000 ] - [ 0.0014238900000000, 0.0002054500000000, -0.0003943100000000 ] - [ 0.0011686900000000, 0.0000546400000000, -0.0003073500000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000373400000000, 0.0000000000000000, -0.0002777100000000 ] - [ 0.0002287800000000, 0.0000000000000000, 0.0001665700000000 ] - [ 0.0001321800000000, 0.0001507800000000, 0.0000513900000000 ] - [ 0.0002024500000000, 0.0000090500000000, 0.0001807000000000 ] - [ 0.0001321800000000, -0.0001507800000000, 0.0000513900000000 ] - [ 0.0002024500000000, -0.0000090500000000, 0.0001807000000000 ] - [ -0.0037240200000000, 0.0000000000000000, -0.0018140300000000 ] - [ -0.0037417900000000, 0.0000000000000000, -0.0012999000000000 ] - [ -0.0038068500000000, -0.0000686600000000, -0.0014293800000000 ] - [ -0.0037615400000000, -0.0000075800000000, -0.0012861500000000 ] - [ -0.0038068500000000, 0.0000686600000000, -0.0014293800000000 ] - [ -0.0037615400000000, 0.0000075800000000, -0.0012861500000000 ] - [ 0.0002219400000000, 0.0000000000000000, -0.0004484600000000 ] - [ 0.0000711400000000, 0.0000000000000000, -0.0003205500000000 ] - [ 0.0001888900000000, 0.0000467100000000, -0.0003500500000000 ] - [ 0.0000929600000000, 0.0000205700000000, -0.0002957400000000 ] - [ 0.0001888900000000, -0.0000467100000000, -0.0003500500000000 ] - [ 0.0000929600000000, -0.0000205700000000, -0.0002957400000000 ] - [ 0.0000552900000000, 0.0001377900000000, 0.0002037700000000 ] - [ -0.0005140500000000, 0.0002762500000000, 0.0001878900000000 ] - [ 0.0000552900000000, -0.0001377900000000, 0.0002037700000000 ] - [ -0.0005140500000000, -0.0002762500000000, 0.0001878900000000 ] - [ -0.0000586000000000, 0.0000000000000000, 0.0002236500000000 ] - [ -0.0002436200000000, 0.0000000000000000, 0.0002114700000000 ] - [ 0.0037907000000000, 0.0000218900000000, 0.0009722500000000 ] - [ 0.0037508500000000, 0.0000340400000000, 0.0010563000000000 ] - [ 0.0037907000000000, -0.0000218900000000, 0.0009722500000000 ] - [ 0.0037508500000000, -0.0000340400000000, 0.0010563000000000 ] - [ 0.0037647100000000, 0.0000000000000000, 0.0010550700000000 ] - [ 0.0037622500000000, 0.0000000000000000, 0.0010950900000000 ] - [ -0.0037228400000000, 0.0000000000000000, 0.0019552000000000 ] - [ -0.0038338800000000, 0.0000000000000000, 0.0015201400000000 ] - [ -0.0038198400000000, 0.0000988400000000, 0.0015388000000000 ] - [ -0.0038222300000000, -0.0000487700000000, 0.0014214200000000 ] - [ -0.0038198400000000, -0.0000988400000000, 0.0015388000000000 ] - [ -0.0038222300000000, 0.0000487700000000, 0.0014214200000000 ] - [ 0.0022247000000000, 0.0029703800000000, 0.0021507900000000 ] - [ 0.0037161200000000, -0.0000104300000000, -0.0011199600000000 ] - [ 0.0022247000000000, -0.0029703800000000, 0.0021507900000000 ] - [ 0.0037161200000000, 0.0000104300000000, -0.0011199600000000 ] - [ 0.0037725600000000, 0.0000000000000000, -0.0010480400000000 ] - [ 0.0037326300000000, 0.0000000000000000, -0.0011308600000000 ] - [ -0.0003170800000000, -0.0015576200000000, 0.0025759300000000 ] - [ -0.0002007400000000, 0.0000196700000000, -0.0001521900000000 ] - [ -0.0003170800000000, 0.0015576200000000, 0.0025759300000000 ] - [ -0.0002007400000000, -0.0000196700000000, -0.0001521900000000 ] - [ -0.0001415000000000, 0.0000000000000000, -0.0000578100000000 ] - [ -0.0001885600000000, 0.0000000000000000, -0.0001604200000000 ] - [ 0.0153514300000000, 0.0000009900000000, 0.0078577600000000 ] - [ 0.0153610100000000, 0.0000032800000000, 0.0080917200000000 ] - [ 0.0153514300000000, -0.0000009900000000, 0.0078577600000000 ] - [ 0.0153610100000000, -0.0000032800000000, 0.0080917200000000 ] - [ 0.0153716600000000, 0.0000000000000000, 0.0080516000000000 ] - [ 0.0153604100000000, 0.0000000000000000, 0.0080986800000000 ] - [ -0.0050191700000000, 0.0000000000000000, 0.0123830700000000 ] - [ -0.0153557500000000, 0.0000000000000000, 0.0082463500000000 ] - [ -0.0152513600000000, -0.0001367000000000, 0.0083502800000000 ] - [ -0.0153613500000000, 0.0000076600000000, 0.0082202700000000 ] - [ -0.0152513600000000, 0.0001367000000000, 0.0083502800000000 ] - [ -0.0153613500000000, -0.0000076600000000, 0.0082202700000000 ] - [ -0.0153113000000000, 0.0000000000000000, -0.0085066900000000 ] - [ -0.0154706500000000, 0.0000000000000000, -0.0081477900000000 ] - [ -0.0152551800000000, -0.0001172600000000, -0.0081906800000000 ] - [ -0.0153770200000000, -0.0000152700000000, -0.0081716200000000 ] - [ -0.0152551800000000, 0.0001172600000000, -0.0081906800000000 ] - [ -0.0153770200000000, 0.0000152700000000, -0.0081716200000000 ] - [ 0.0149725800000000, -0.0000026600000000, -0.0083603900000000 ] - [ 0.0155442100000000, -0.0001661600000000, -0.0082201500000000 ] - [ 0.0149725800000000, 0.0000026600000000, -0.0083603900000000 ] - [ 0.0155442100000000, 0.0001661600000000, -0.0082201500000000 ] - [ 0.0153750300000000, 0.0000000000000000, -0.0081973400000000 ] - [ 0.0155056100000000, 0.0000000000000000, -0.0082172000000000 ] - [ -0.0084758900000000, 0.0000000000000000, -0.0230256300000000 ] - [ 0.0005043200000000, 0.0000000000000000, -0.0005143800000000 ] - [ 0.0004705400000000, -0.0000680400000000, -0.0009617100000000 ] - [ 0.0004994700000000, -0.0000001800000000, -0.0005031300000000 ] - [ 0.0004705400000000, 0.0000680400000000, -0.0009617100000000 ] - [ 0.0004994700000000, 0.0000001800000000, -0.0005031300000000 ] - [ -0.0012171400000000, 0.0000955500000000, 0.0007537700000000 ] - [ -0.0012075800000000, 0.0000066300000000, 0.0003060000000000 ] - [ -0.0012171400000000, -0.0000955500000000, 0.0007537700000000 ] - [ -0.0012075800000000, -0.0000066300000000, 0.0003060000000000 ] - [ -0.0012431900000000, 0.0000000000000000, 0.0003529500000000 ] - [ -0.0012130800000000, 0.0000000000000000, 0.0002991500000000 ] - [ -0.0005269400000000, -0.0000350700000000, -0.0001600500000000 ] - [ -0.0004903600000000, -0.0000063700000000, -0.0003047900000000 ] - [ -0.0005269400000000, 0.0000350700000000, -0.0001600500000000 ] - [ -0.0004903600000000, 0.0000063700000000, -0.0003047900000000 ] - [ -0.0005000700000000, 0.0000000000000000, -0.0002716000000000 ] - [ -0.0004930700000000, 0.0000000000000000, -0.0003245800000000 ] - [ 0.0144881800000000, -0.0001520800000000, 0.0088477500000000 ] - [ 0.0146506200000000, -0.0000395600000000, 0.0086072400000000 ] - [ 0.0144881800000000, 0.0001520800000000, 0.0088477500000000 ] - [ 0.0146506200000000, 0.0000395600000000, 0.0086072400000000 ] - [ 0.0145947000000000, 0.0000000000000000, 0.0086442100000000 ] - [ 0.0146312600000000, 0.0000000000000000, 0.0086056500000000 ] - [ -0.0144071300000000, 0.0000000000000000, 0.0085775500000000 ] - [ -0.0151999100000000, 0.0000000000000000, 0.0087533800000000 ] - [ -0.0144565500000000, -0.0001373800000000, 0.0085409900000000 ] - [ -0.0148719500000000, -0.0002443600000000, 0.0086040300000000 ] - [ -0.0144565500000000, 0.0001373800000000, 0.0085409900000000 ] - [ -0.0148719500000000, 0.0002443600000000, 0.0086040300000000 ] - [ 0.0025469400000000, 0.0000000000000000, 0.0048753600000000 ] - [ 0.0011779500000000, 0.0000000000000000, 0.0001656500000000 ] - [ 0.0013947200000000, 0.0002595200000000, 0.0001787900000000 ] - [ 0.0012076400000000, 0.0000174100000000, 0.0001727500000000 ] - [ 0.0013947200000000, -0.0002595200000000, 0.0001787900000000 ] - [ 0.0012076400000000, -0.0000174100000000, 0.0001727500000000 ] - [ 0.0155372600000000, -0.0005899700000000, -0.0090329800000000 ] - [ 0.0146295800000000, 0.0000138500000000, -0.0087262500000000 ] - [ 0.0155372600000000, 0.0005899700000000, -0.0090329800000000 ] - [ 0.0146295800000000, -0.0000138500000000, -0.0087262500000000 ] - [ 0.0146130100000000, 0.0000000000000000, -0.0087130500000000 ] - [ 0.0146104800000000, 0.0000000000000000, -0.0086693100000000 ] - [ -0.0145901300000000, 0.0000000000000000, -0.0083196000000000 ] - [ -0.0145921700000000, 0.0000000000000000, -0.0084942900000000 ] - [ -0.0145785900000000, -0.0000279200000000, -0.0084077500000000 ] - [ -0.0145987900000000, 0.0000026600000000, -0.0085055700000000 ] - [ -0.0145785900000000, 0.0000279200000000, -0.0084077500000000 ] - [ -0.0145987900000000, -0.0000026600000000, -0.0085055700000000 ] - [ 0.0004730700000000, 0.0005968400000000, 0.0008846100000000 ] - [ -0.0005938700000000, 0.0000284700000000, 0.0003058300000000 ] - [ 0.0004730700000000, -0.0005968400000000, 0.0008846100000000 ] - [ -0.0005938700000000, -0.0000284700000000, 0.0003058300000000 ] - [ -0.0004735200000000, 0.0000000000000000, 0.0003490600000000 ] - [ -0.0005826900000000, 0.0000000000000000, 0.0003212100000000 ] - [ -0.0011530900000000, 0.0000243300000000, 0.0000132200000000 ] - [ -0.0013080800000000, 0.0000343200000000, -0.0000859700000000 ] - [ -0.0011530900000000, -0.0000243300000000, 0.0000132200000000 ] - [ -0.0013080800000000, -0.0000343200000000, -0.0000859700000000 ] - [ -0.0012049100000000, 0.0000000000000000, -0.0001470200000000 ] - [ -0.0012905300000000, 0.0000000000000000, -0.0001212100000000 ] - [ 0.0003016400000000, 0.0000000000000000, 0.0006404200000000 ] - [ 0.0007789800000000, 0.0000000000000000, 0.0006404400000000 ] - [ 0.0003995200000000, 0.0000335600000000, 0.0005094000000000 ] - [ 0.0005340400000000, 0.0000366900000000, 0.0005091600000000 ] - [ 0.0003995200000000, -0.0000335600000000, 0.0005094000000000 ] - [ 0.0005340400000000, -0.0000366900000000, 0.0005091600000000 ] - [ -0.0002423500000000, 0.0000000000000000, 0.0007664700000000 ] - [ 0.0013664900000000, 0.0000000000000000, -0.0002853700000000 ] - [ 0.0010392900000000, 0.0002036600000000, -0.0003102300000000 ] - [ 0.0013154900000000, 0.0000459600000000, -0.0002608200000000 ] - [ 0.0010392900000000, -0.0002036600000000, -0.0003102300000000 ] - [ 0.0013154900000000, -0.0000459600000000, -0.0002608200000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003451400000000, 0.0000000000000000, 0.0007019000000000 ] - [ 0.0000768000000000, 0.0000000000000000, 0.0002552800000000 ] - [ 0.0001738900000000, -0.0001514000000000, 0.0003706600000000 ] - [ 0.0001032200000000, -0.0000090900000000, 0.0002411000000000 ] - [ 0.0001738900000000, 0.0001514000000000, 0.0003706600000000 ] - [ 0.0001032200000000, 0.0000090900000000, 0.0002411000000000 ] - [ -0.0038202600000000, 0.0000000000000000, -0.0006180500000000 ] - [ -0.0038024000000000, 0.0000000000000000, -0.0011319100000000 ] - [ -0.0037377000000000, 0.0000684400000000, -0.0010021600000000 ] - [ -0.0037825900000000, 0.0000075800000000, -0.0011456800000000 ] - [ -0.0037377000000000, -0.0000684400000000, -0.0010021600000000 ] - [ -0.0037825900000000, -0.0000075800000000, -0.0011456800000000 ] - [ 0.0000832500000000, 0.0000000000000000, 0.0000266300000000 ] - [ 0.0002350600000000, 0.0000000000000000, -0.0001018500000000 ] - [ 0.0001166200000000, -0.0000470700000000, -0.0000722100000000 ] - [ 0.0002131500000000, -0.0000206400000000, -0.0001266000000000 ] - [ 0.0001166200000000, 0.0000470700000000, -0.0000722100000000 ] - [ 0.0002131500000000, 0.0000206400000000, -0.0001266000000000 ] - [ -0.0003611800000000, -0.0001378800000000, 0.0002184300000000 ] - [ 0.0002081000000000, -0.0002764100000000, 0.0002366800000000 ] - [ -0.0003611800000000, 0.0001378800000000, 0.0002184300000000 ] - [ 0.0002081000000000, 0.0002764100000000, 0.0002366800000000 ] - [ -0.0002472300000000, 0.0000000000000000, 0.0001983300000000 ] - [ -0.0000623100000000, 0.0000000000000000, 0.0002111500000000 ] - [ 0.0037537800000000, -0.0000218400000000, 0.0014597100000000 ] - [ 0.0037931200000000, -0.0000339700000000, 0.0013756600000000 ] - [ 0.0037537800000000, 0.0000218400000000, 0.0014597100000000 ] - [ 0.0037931200000000, 0.0000339700000000, 0.0013756600000000 ] - [ 0.0037796700000000, 0.0000000000000000, 0.0013767400000000 ] - [ 0.0037818100000000, 0.0000000000000000, 0.0013368900000000 ] - [ -0.0038193500000000, 0.0000000000000000, 0.0004745100000000 ] - [ -0.0037080900000000, 0.0000000000000000, 0.0009090300000000 ] - [ -0.0037253400000000, -0.0000984100000000, 0.0008919400000000 ] - [ -0.0037208100000000, 0.0000496900000000, 0.0010087300000000 ] - [ -0.0037253400000000, 0.0000984100000000, 0.0008919400000000 ] - [ -0.0037208100000000, -0.0000496900000000, 0.0010087300000000 ] - [ 0.0053742200000000, -0.0030719300000000, -0.0046501200000000 ] - [ 0.0038283100000000, 0.0000104000000000, -0.0013125100000000 ] - [ 0.0053742200000000, 0.0030719300000000, -0.0046501200000000 ] - [ 0.0038283100000000, -0.0000104000000000, -0.0013125100000000 ] - [ 0.0037719400000000, 0.0000000000000000, -0.0013860100000000 ] - [ 0.0038118400000000, 0.0000000000000000, -0.0013015200000000 ] - [ -0.0000040100000000, 0.0014671400000000, -0.0029117100000000 ] - [ -0.0001047100000000, -0.0000198000000000, -0.0002700300000000 ] - [ -0.0000040100000000, -0.0014671400000000, -0.0029117100000000 ] - [ -0.0001047100000000, 0.0000198000000000, -0.0002700300000000 ] - [ -0.0001651900000000, 0.0000000000000000, -0.0003634900000000 ] - [ -0.0001169700000000, 0.0000000000000000, -0.0002617400000000 ] - [ 0.0153602200000000, -0.0000009200000000, 0.0084536800000000 ] - [ 0.0153508100000000, -0.0000031400000000, 0.0082188500000000 ] - [ 0.0153602200000000, 0.0000009200000000, 0.0084536800000000 ] - [ 0.0153508100000000, 0.0000031400000000, 0.0082188500000000 ] - [ 0.0153398800000000, 0.0000000000000000, 0.0082590600000000 ] - [ 0.0153509400000000, 0.0000000000000000, 0.0082118600000000 ] - [ -0.0254494300000000, 0.0000000000000000, 0.0039189700000000 ] - [ -0.0153590700000000, 0.0000000000000000, 0.0080635200000000 ] - [ -0.0154652400000000, 0.0001391600000000, 0.0079614500000000 ] - [ -0.0153531700000000, -0.0000075100000000, 0.0080903200000000 ] - [ -0.0154652400000000, -0.0001391600000000, 0.0079614500000000 ] - [ -0.0153531700000000, 0.0000075100000000, 0.0080903200000000 ] - [ -0.0154004100000000, 0.0000000000000000, -0.0078032400000000 ] - [ -0.0152415300000000, 0.0000000000000000, -0.0081616200000000 ] - [ -0.0154562200000000, 0.0001170500000000, -0.0081205800000000 ] - [ -0.0153350000000000, 0.0000150600000000, -0.0081387400000000 ] - [ -0.0154562200000000, -0.0001170500000000, -0.0081205800000000 ] - [ -0.0153350000000000, -0.0000150600000000, -0.0081387400000000 ] - [ 0.0157435500000000, 0.0000024000000000, -0.0079494100000000 ] - [ 0.0151695100000000, 0.0001666200000000, -0.0080903200000000 ] - [ 0.0157435500000000, -0.0000024000000000, -0.0079494100000000 ] - [ 0.0151695100000000, -0.0001666200000000, -0.0080903200000000 ] - [ 0.0153395900000000, 0.0000000000000000, -0.0081134300000000 ] - [ 0.0152082800000000, 0.0000000000000000, -0.0080932400000000 ] - [ 0.0091506600000000, 0.0000000000000000, 0.0221648200000000 ] - [ 0.0004643400000000, 0.0000000000000000, -0.0003082100000000 ] - [ 0.0004986900000000, 0.0000653400000000, 0.0001401200000000 ] - [ 0.0004692000000000, 0.0000000400000000, -0.0003194100000000 ] - [ 0.0004986900000000, -0.0000653400000000, 0.0001401200000000 ] - [ 0.0004692000000000, -0.0000000400000000, -0.0003194100000000 ] - [ -0.0012518500000000, -0.0000963600000000, -0.0002797100000000 ] - [ -0.0012615800000000, -0.0000066700000000, 0.0001697500000000 ] - [ -0.0012518500000000, 0.0000963600000000, -0.0002797100000000 ] - [ -0.0012615800000000, 0.0000066700000000, 0.0001697500000000 ] - [ -0.0012257100000000, 0.0000000000000000, 0.0001230200000000 ] - [ -0.0012560200000000, 0.0000000000000000, 0.0001760100000000 ] - [ -0.0004414200000000, 0.0000346900000000, -0.0006640900000000 ] - [ -0.0004783200000000, 0.0000064700000000, -0.0005193700000000 ] - [ -0.0004414200000000, -0.0000346900000000, -0.0006640900000000 ] - [ -0.0004783200000000, -0.0000064700000000, -0.0005193700000000 ] - [ -0.0004692100000000, 0.0000000000000000, -0.0005521800000000 ] - [ -0.0004757700000000, 0.0000000000000000, -0.0004994700000000 ] - [ 0.0147174900000000, 0.0001522500000000, 0.0082922000000000 ] - [ 0.0145551600000000, 0.0000395700000000, 0.0085325600000000 ] - [ 0.0147174900000000, -0.0001522500000000, 0.0082922000000000 ] - [ 0.0145551600000000, -0.0000395700000000, 0.0085325600000000 ] - [ 0.0146116200000000, 0.0000000000000000, 0.0084957200000000 ] - [ 0.0145747400000000, 0.0000000000000000, 0.0085343000000000 ] - [ -0.0147988100000000, 0.0000000000000000, 0.0085632600000000 ] - [ -0.0140035300000000, 0.0000000000000000, 0.0083872500000000 ] - [ -0.0147503800000000, 0.0001380100000000, 0.0085995700000000 ] - [ -0.0143324000000000, 0.0002456600000000, 0.0085364200000000 ] - [ -0.0147503800000000, -0.0001380100000000, 0.0085995700000000 ] - [ -0.0143324000000000, -0.0002456600000000, 0.0085364200000000 ] - [ -0.0000665800000000, 0.0000000000000000, -0.0043604000000000 ] - [ 0.0012905500000000, 0.0000000000000000, 0.0003101900000000 ] - [ 0.0010757100000000, -0.0002594300000000, 0.0002949000000000 ] - [ 0.0012610200000000, -0.0000175300000000, 0.0003019100000000 ] - [ 0.0010757100000000, 0.0002594300000000, 0.0002949000000000 ] - [ 0.0012610200000000, 0.0000175300000000, 0.0003019100000000 ] - [ 0.0136615300000000, 0.0006014600000000, -0.0081091900000000 ] - [ 0.0145765000000000, -0.0000135700000000, -0.0084142800000000 ] - [ 0.0136615300000000, -0.0006014600000000, -0.0081091900000000 ] - [ 0.0145765000000000, 0.0000135700000000, -0.0084142800000000 ] - [ 0.0145926300000000, 0.0000000000000000, -0.0084276400000000 ] - [ 0.0145955400000000, 0.0000000000000000, -0.0084714000000000 ] - [ -0.0146159200000000, 0.0000000000000000, -0.0088214900000000 ] - [ -0.0146136200000000, 0.0000000000000000, -0.0086463200000000 ] - [ -0.0146275200000000, 0.0000283300000000, -0.0087332500000000 ] - [ -0.0146072700000000, -0.0000026600000000, -0.0086351100000000 ] - [ -0.0146275200000000, -0.0000283300000000, -0.0087332500000000 ] - [ -0.0146072700000000, 0.0000026600000000, -0.0086351100000000 ] - [ -0.0014506400000000, -0.0006035100000000, -0.0000664600000000 ] - [ -0.0003747100000000, -0.0000285800000000, 0.0005173900000000 ] - [ -0.0014506400000000, 0.0006035100000000, -0.0000664600000000 ] - [ -0.0003747100000000, 0.0000285800000000, 0.0005173900000000 ] - [ -0.0004952900000000, 0.0000000000000000, 0.0004739200000000 ] - [ -0.0003859800000000, 0.0000000000000000, 0.0005019400000000 ] - [ -0.0013162300000000, -0.0000245100000000, -0.0004893600000000 ] - [ -0.0011603400000000, -0.0000346000000000, -0.0003902200000000 ] - [ -0.0013162300000000, 0.0000245100000000, -0.0004893600000000 ] - [ -0.0011603400000000, 0.0000346000000000, -0.0003902200000000 ] - [ -0.0012641400000000, 0.0000000000000000, -0.0003284900000000 ] - [ -0.0011779500000000, 0.0000000000000000, -0.0003551300000000 ] - [ 0.0006677000000000, 0.0000000000000000, 0.0001821900000000 ] - [ 0.0001915100000000, 0.0000000000000000, 0.0001821300000000 ] - [ 0.0005688500000000, -0.0000334900000000, 0.0003138400000000 ] - [ 0.0004348300000000, -0.0000365700000000, 0.0003137000000000 ] - [ 0.0005688500000000, 0.0000334900000000, 0.0003138400000000 ] - [ 0.0004348300000000, 0.0000365700000000, 0.0003137000000000 ] - [ 0.0026949100000000, 0.0000000000000000, -0.0012354700000000 ] - [ 0.0011012000000000, 0.0000000000000000, -0.0001922300000000 ] - [ 0.0014290500000000, -0.0002033900000000, -0.0001654800000000 ] - [ 0.0011526900000000, -0.0000461900000000, -0.0002156100000000 ] - [ 0.0014290500000000, 0.0002033900000000, -0.0001654800000000 ] - [ 0.0011526900000000, 0.0000461900000000, -0.0002156100000000 ]- atom: 79 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0037475900000000, -0.0025906400000000, 0.0000029900000000 ] - [ -0.0001628600000000, -0.0001063600000000, 0.0002140400000000 ] - [ 0.0003283300000000, 0.0000000000000000, 0.0002041300000000 ] - [ -0.0000376900000000, 0.0000000000000000, 0.0002261000000000 ] - [ 0.0037475900000000, 0.0025906400000000, 0.0000029900000000 ] - [ -0.0001628600000000, 0.0001063600000000, 0.0002140400000000 ] - [ -0.0034791400000000, -0.0000842900000000, -0.0012177800000000 ] - [ -0.0038798800000000, 0.0000047200000000, -0.0012227300000000 ] - [ -0.0036366400000000, 0.0000000000000000, -0.0012041500000000 ] - [ -0.0038625600000000, 0.0000000000000000, -0.0012229400000000 ] - [ -0.0034791400000000, 0.0000842900000000, -0.0012177800000000 ] - [ -0.0038798800000000, -0.0000047200000000, -0.0012227300000000 ] - [ 0.0031365300000000, 0.0022722900000000, -0.0014381700000000 ] - [ -0.0001432500000000, 0.0000808500000000, -0.0002699800000000 ] - [ 0.0003684600000000, 0.0000000000000000, -0.0001701400000000 ] - [ -0.0000451200000000, 0.0000000000000000, -0.0002415700000000 ] - [ 0.0031365300000000, -0.0022722900000000, -0.0014381700000000 ] - [ -0.0001432500000000, -0.0000808500000000, -0.0002699800000000 ] - [ -0.0001822400000000, 0.0000000000000000, 0.0001993500000000 ] - [ -0.0001437200000000, 0.0000000000000000, 0.0002188500000000 ] - [ -0.0001813400000000, 0.0000067700000000, 0.0001963300000000 ] - [ -0.0001389400000000, -0.0000146500000000, 0.0002115000000000 ] - [ -0.0001813400000000, -0.0000067700000000, 0.0001963300000000 ] - [ -0.0001389400000000, 0.0000146500000000, 0.0002115000000000 ] - [ 0.0036406300000000, 0.0000000000000000, 0.0009281600000000 ] - [ 0.0035734300000000, 0.0000000000000000, 0.0014523200000000 ] - [ 0.0036757100000000, 0.0001007100000000, 0.0010832500000000 ] - [ 0.0037157600000000, -0.0000454200000000, 0.0013242900000000 ] - [ 0.0036757100000000, -0.0001007100000000, 0.0010832500000000 ] - [ 0.0037157600000000, 0.0000454200000000, 0.0013242900000000 ] - [ -0.0038065200000000, 0.0001336500000000, 0.0014468700000000 ] - [ -0.0038839000000000, -0.0000337600000000, 0.0010134700000000 ] - [ -0.0037726800000000, 0.0000000000000000, 0.0013271500000000 ] - [ -0.0038110100000000, 0.0000000000000000, 0.0011114700000000 ] - [ -0.0038065200000000, -0.0001336500000000, 0.0014468700000000 ] - [ -0.0038839000000000, 0.0000337600000000, 0.0010134700000000 ] - [ 0.0044507500000000, 0.0000000000000000, -0.0005802800000000 ] - [ 0.0035163100000000, 0.0000000000000000, -0.0011882100000000 ] - [ 0.0040824200000000, -0.0000898200000000, -0.0012678900000000 ] - [ 0.0035747700000000, 0.0000157000000000, -0.0011921500000000 ] - [ 0.0040824200000000, 0.0000898200000000, -0.0012678900000000 ] - [ 0.0035747700000000, -0.0000157000000000, -0.0011921500000000 ] - [ -0.0000485900000000, 0.0000000000000000, -0.0002318000000000 ] - [ -0.0002333700000000, 0.0000000000000000, -0.0002085000000000 ] - [ -0.0000686400000000, -0.0000035500000000, -0.0002373200000000 ] - [ -0.0002230700000000, -0.0000045800000000, -0.0002087500000000 ] - [ -0.0000686400000000, 0.0000035500000000, -0.0002373200000000 ] - [ -0.0002230700000000, 0.0000045800000000, -0.0002087500000000 ] - [ 0.0157502500000000, 0.0000000000000000, 0.0118695700000000 ] - [ 0.0152011900000000, 0.0000000000000000, 0.0081715200000000 ] - [ 0.0157424300000000, 0.0002458600000000, 0.0082684300000000 ] - [ 0.0152341900000000, -0.0000193200000000, 0.0081550700000000 ] - [ 0.0157424300000000, -0.0002458600000000, 0.0082684300000000 ] - [ 0.0152341900000000, 0.0000193200000000, 0.0081550700000000 ] - [ -0.0152462600000000, -0.0000322700000000, 0.0081274700000000 ] - [ -0.0154561000000000, 0.0000176800000000, 0.0081604500000000 ] - [ -0.0152545600000000, 0.0000000000000000, 0.0081370600000000 ] - [ -0.0154436500000000, 0.0000000000000000, 0.0081617300000000 ] - [ -0.0152462600000000, 0.0000322700000000, 0.0081274700000000 ] - [ -0.0154561000000000, -0.0000176800000000, 0.0081604500000000 ] - [ -0.0153433200000000, 0.0000016000000000, -0.0081806400000000 ] - [ -0.0154133800000000, -0.0000052500000000, -0.0081512000000000 ] - [ -0.0153617400000000, 0.0000000000000000, -0.0081742400000000 ] - [ -0.0153808300000000, 0.0000000000000000, -0.0081572400000000 ] - [ -0.0153433200000000, -0.0000016000000000, -0.0081806400000000 ] - [ -0.0154133800000000, 0.0000052500000000, -0.0081512000000000 ] - [ 0.0149609300000000, 0.0000000000000000, -0.0080187100000000 ] - [ 0.0149157300000000, 0.0000000000000000, -0.0084893500000000 ] - [ 0.0153208900000000, 0.0000640800000000, -0.0080731800000000 ] - [ 0.0151677400000000, -0.0002699800000000, -0.0081348500000000 ] - [ 0.0153208900000000, -0.0000640800000000, -0.0080731800000000 ] - [ 0.0151677400000000, 0.0002699800000000, -0.0081348500000000 ] - [ 0.0002405500000000, 0.0000478500000000, -0.0003941800000000 ] - [ 0.0006369100000000, 0.0000039100000000, -0.0003841600000000 ] - [ 0.0003320700000000, 0.0000000000000000, -0.0004198400000000 ] - [ 0.0006098600000000, 0.0000000000000000, -0.0003898300000000 ] - [ 0.0002405500000000, -0.0000478500000000, -0.0003941800000000 ] - [ 0.0006369100000000, -0.0000039100000000, -0.0003841600000000 ] - [ -0.0187828000000000, 0.0000000000000000, -0.0015082900000000 ] - [ -0.0009880500000000, 0.0000000000000000, 0.0002336800000000 ] - [ -0.0017768100000000, 0.0000157100000000, 0.0001853700000000 ] - [ -0.0010413100000000, 0.0000012100000000, 0.0002341300000000 ] - [ -0.0017768100000000, -0.0000157100000000, 0.0001853700000000 ] - [ -0.0010413100000000, -0.0000012100000000, 0.0002341300000000 ] - [ 0.0000164700000000, 0.0000000000000000, -0.0017141500000000 ] - [ -0.0002606800000000, 0.0000000000000000, -0.0003560200000000 ] - [ -0.0008156500000000, 0.0001456900000000, -0.0005718600000000 ] - [ -0.0003186100000000, -0.0000060400000000, -0.0003854800000000 ] - [ -0.0008156500000000, -0.0001456900000000, -0.0005718600000000 ] - [ -0.0003186100000000, 0.0000060400000000, -0.0003854800000000 ] - [ 0.0145250000000000, 0.0000000000000000, 0.0086208700000000 ] - [ 0.0146777700000000, 0.0000000000000000, 0.0085564200000000 ] - [ 0.0145444300000000, -0.0000369600000000, 0.0086338900000000 ] - [ 0.0146633400000000, 0.0000138900000000, 0.0085679700000000 ] - [ 0.0145444300000000, 0.0000369600000000, 0.0086338900000000 ] - [ 0.0146633400000000, -0.0000138900000000, 0.0085679700000000 ] - [ -0.0144072200000000, -0.0001352200000000, 0.0084871400000000 ] - [ -0.0142672500000000, 0.0005942600000000, 0.0089882400000000 ] - [ -0.0145001900000000, 0.0000000000000000, 0.0085150600000000 ] - [ -0.0146760900000000, 0.0000000000000000, 0.0086126200000000 ] - [ -0.0144072200000000, 0.0001352200000000, 0.0084871400000000 ] - [ -0.0142672500000000, -0.0005942600000000, 0.0089882400000000 ] - [ 0.0011586100000000, 0.0000084400000000, 0.0002593100000000 ] - [ 0.0013017700000000, -0.0000029800000000, 0.0002296200000000 ] - [ 0.0011652300000000, 0.0000000000000000, 0.0002672400000000 ] - [ 0.0012955600000000, 0.0000000000000000, 0.0002275500000000 ] - [ 0.0011586100000000, -0.0000084400000000, 0.0002593100000000 ] - [ 0.0013017700000000, 0.0000029800000000, 0.0002296200000000 ] - [ 0.0145422300000000, 0.0000000000000000, -0.0084408400000000 ] - [ 0.0147238700000000, 0.0000000000000000, -0.0086433300000000 ] - [ 0.0145295000000000, 0.0000375200000000, -0.0084920100000000 ] - [ 0.0146881700000000, -0.0000182200000000, -0.0086169600000000 ] - [ 0.0145295000000000, -0.0000375200000000, -0.0084920100000000 ] - [ 0.0146881700000000, 0.0000182200000000, -0.0086169600000000 ] - [ -0.0142815800000000, -0.0016168400000000, -0.0073374400000000 ] - [ -0.0144420200000000, 0.0000317100000000, -0.0086013500000000 ] - [ -0.0147578500000000, 0.0000000000000000, -0.0085750700000000 ] - [ -0.0144883700000000, 0.0000000000000000, -0.0085900400000000 ] - [ -0.0142815800000000, 0.0016168400000000, -0.0073374400000000 ] - [ -0.0144420200000000, -0.0000317100000000, -0.0086013500000000 ] - [ 0.0005875100000000, 0.0000000000000000, -0.0010496700000000 ] - [ -0.0002174500000000, 0.0000000000000000, 0.0005441200000000 ] - [ -0.0005431600000000, -0.0001898600000000, 0.0002166500000000 ] - [ -0.0002612300000000, 0.0000658300000000, 0.0004928300000000 ] - [ -0.0005431600000000, 0.0001898600000000, 0.0002166500000000 ] - [ -0.0002612300000000, -0.0000658300000000, 0.0004928300000000 ] - [ -0.0005448800000000, 0.0000000000000000, -0.0001614000000000 ] - [ -0.0005416000000000, 0.0000000000000000, -0.0003678500000000 ] - [ -0.0009806800000000, -0.0002672100000000, -0.0001602200000000 ] - [ -0.0009797500000000, 0.0002705800000000, -0.0002570600000000 ] - [ -0.0009806800000000, 0.0002672100000000, -0.0001602200000000 ] - [ -0.0009797500000000, -0.0002705800000000, -0.0002570600000000 ] - [ 0.0005352800000000, -0.0000125600000000, 0.0004857300000000 ] - [ 0.0005196500000000, 0.0000480000000000, 0.0003303400000000 ] - [ 0.0005193100000000, 0.0000000000000000, 0.0004679000000000 ] - [ 0.0004866200000000, 0.0000000000000000, 0.0003819800000000 ] - [ 0.0005352800000000, 0.0000125600000000, 0.0004857300000000 ] - [ 0.0005196500000000, -0.0000480000000000, 0.0003303400000000 ] - [ 0.0012007800000000, -0.0000057700000000, -0.0002475400000000 ] - [ 0.0012769000000000, 0.0000069500000000, -0.0002166300000000 ] - [ 0.0012133000000000, 0.0000000000000000, -0.0002214700000000 ] - [ 0.0012674300000000, 0.0000000000000000, -0.0002216000000000 ] - [ 0.0012007800000000, 0.0000057700000000, -0.0002475400000000 ] - [ 0.0012769000000000, -0.0000069500000000, -0.0002166300000000 ]- atom: 79 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0035483800000000, 0.0027106100000000, 0.0004298200000000 ] - [ 0.0004679400000000, 0.0001058300000000, 0.0002072400000000 ] - [ -0.0000236200000000, 0.0000000000000000, 0.0002176400000000 ] - [ 0.0003432700000000, 0.0000000000000000, 0.0001952300000000 ] - [ -0.0035483800000000, -0.0027106100000000, 0.0004298200000000 ] - [ 0.0004679400000000, -0.0001058300000000, 0.0002072400000000 ] - [ -0.0040653200000000, 0.0000856900000000, -0.0012159700000000 ] - [ -0.0036650900000000, -0.0000047200000000, -0.0012092300000000 ] - [ -0.0039078300000000, 0.0000000000000000, -0.0012281900000000 ] - [ -0.0036823900000000, 0.0000000000000000, -0.0012090700000000 ] - [ -0.0040653200000000, -0.0000856900000000, -0.0012159700000000 ] - [ -0.0036650900000000, 0.0000047200000000, -0.0012092300000000 ] - [ -0.0027634300000000, -0.0021813600000000, 0.0009705800000000 ] - [ 0.0004493500000000, -0.0000810900000000, -0.0001515000000000 ] - [ -0.0000610500000000, 0.0000000000000000, -0.0002514900000000 ] - [ 0.0003510200000000, 0.0000000000000000, -0.0001799200000000 ] - [ -0.0027634300000000, 0.0021813600000000, 0.0009705800000000 ] - [ 0.0004493500000000, 0.0000810900000000, -0.0001515000000000 ] - [ -0.0001239500000000, 0.0000000000000000, 0.0002218500000000 ] - [ -0.0001618700000000, 0.0000000000000000, 0.0002022900000000 ] - [ -0.0001248300000000, -0.0000067100000000, 0.0002249400000000 ] - [ -0.0001667700000000, 0.0000148200000000, 0.0002097700000000 ] - [ -0.0001248300000000, 0.0000067100000000, 0.0002249400000000 ] - [ -0.0001667700000000, -0.0000148200000000, 0.0002097700000000 ] - [ 0.0039020900000000, 0.0000000000000000, 0.0015042700000000 ] - [ 0.0039725200000000, 0.0000000000000000, 0.0009813900000000 ] - [ 0.0038678700000000, -0.0001001000000000, 0.0013489500000000 ] - [ 0.0038292200000000, 0.0000454600000000, 0.0011084200000000 ] - [ 0.0038678700000000, 0.0001001000000000, 0.0013489500000000 ] - [ 0.0038292200000000, -0.0000454600000000, 0.0011084200000000 ] - [ -0.0037385900000000, -0.0001335100000000, 0.0009849900000000 ] - [ -0.0036608800000000, 0.0000337700000000, 0.0014177900000000 ] - [ -0.0037722200000000, 0.0000000000000000, 0.0011045700000000 ] - [ -0.0037336800000000, 0.0000000000000000, 0.0013201300000000 ] - [ -0.0037385900000000, 0.0001335100000000, 0.0009849900000000 ] - [ -0.0036608800000000, -0.0000337700000000, 0.0014177900000000 ] - [ 0.0030902600000000, 0.0000000000000000, -0.0018560500000000 ] - [ 0.0040281800000000, 0.0000000000000000, -0.0012443600000000 ] - [ 0.0034630200000000, 0.0000904200000000, -0.0011637600000000 ] - [ 0.0039698700000000, -0.0000157100000000, -0.0012402700000000 ] - [ 0.0034630200000000, -0.0000904200000000, -0.0011637600000000 ] - [ 0.0039698700000000, 0.0000157100000000, -0.0012402700000000 ] - [ -0.0002572700000000, 0.0000000000000000, -0.0001900000000000 ] - [ -0.0000724500000000, 0.0000000000000000, -0.0002132600000000 ] - [ -0.0002371800000000, 0.0000037100000000, -0.0001844900000000 ] - [ -0.0000827700000000, 0.0000045900000000, -0.0002129800000000 ] - [ -0.0002371800000000, -0.0000037100000000, -0.0001844900000000 ] - [ -0.0000827700000000, -0.0000045900000000, -0.0002129800000000 ] - [ 0.0150188500000000, 0.0000000000000000, 0.0044620100000000 ] - [ 0.0155093700000000, 0.0000000000000000, 0.0081406100000000 ] - [ 0.0149691600000000, -0.0002439400000000, 0.0080432000000000 ] - [ 0.0154765300000000, 0.0000191500000000, 0.0081573100000000 ] - [ 0.0149691600000000, 0.0002439400000000, 0.0080432000000000 ] - [ 0.0154765300000000, -0.0000191500000000, 0.0081573100000000 ] - [ -0.0154670500000000, 0.0000320000000000, 0.0081838200000000 ] - [ -0.0152580000000000, -0.0000178400000000, 0.0081508400000000 ] - [ -0.0154590900000000, 0.0000000000000000, 0.0081753300000000 ] - [ -0.0152700900000000, 0.0000000000000000, 0.0081506700000000 ] - [ -0.0154670500000000, -0.0000320000000000, 0.0081838200000000 ] - [ -0.0152580000000000, 0.0000178400000000, 0.0081508400000000 ] - [ -0.0153677000000000, -0.0000012300000000, -0.0081320800000000 ] - [ -0.0152970100000000, 0.0000051300000000, -0.0081612100000000 ] - [ -0.0153491500000000, 0.0000000000000000, -0.0081390000000000 ] - [ -0.0153302800000000, 0.0000000000000000, -0.0081550800000000 ] - [ -0.0153677000000000, 0.0000012300000000, -0.0081320800000000 ] - [ -0.0152970100000000, -0.0000051300000000, -0.0081612100000000 ] - [ 0.0157530900000000, 0.0000000000000000, -0.0082944800000000 ] - [ 0.0157956800000000, 0.0000000000000000, -0.0078254900000000 ] - [ 0.0153932600000000, -0.0000639800000000, -0.0082388600000000 ] - [ 0.0155459500000000, 0.0002693100000000, -0.0081765900000000 ] - [ 0.0153932600000000, 0.0000639800000000, -0.0082388600000000 ] - [ 0.0155459500000000, -0.0002693100000000, -0.0081765900000000 ] - [ 0.0007303700000000, -0.0000481900000000, -0.0004274900000000 ] - [ 0.0003340600000000, -0.0000037800000000, -0.0004367700000000 ] - [ 0.0006386800000000, 0.0000000000000000, -0.0004010300000000 ] - [ 0.0003611500000000, 0.0000000000000000, -0.0004310300000000 ] - [ 0.0007303700000000, 0.0000481900000000, -0.0004274900000000 ] - [ 0.0003340600000000, 0.0000037800000000, -0.0004367700000000 ] - [ 0.0163510400000000, 0.0000000000000000, 0.0020171400000000 ] - [ -0.0014804800000000, 0.0000000000000000, 0.0002392300000000 ] - [ -0.0006924300000000, -0.0000184900000000, 0.0002871400000000 ] - [ -0.0014276100000000, -0.0000010200000000, 0.0002377300000000 ] - [ -0.0006924300000000, 0.0000184900000000, 0.0002871400000000 ] - [ -0.0014276100000000, 0.0000010200000000, 0.0002377300000000 ] - [ -0.0010055300000000, 0.0000000000000000, 0.0009012000000000 ] - [ -0.0007092300000000, 0.0000000000000000, -0.0004667200000000 ] - [ -0.0001561900000000, -0.0001456300000000, -0.0002513500000000 ] - [ -0.0006515200000000, 0.0000059400000000, -0.0004373300000000 ] - [ -0.0001561900000000, 0.0001456300000000, -0.0002513500000000 ] - [ -0.0006515200000000, -0.0000059400000000, -0.0004373300000000 ] - [ 0.0146824500000000, 0.0000000000000000, 0.0085202100000000 ] - [ 0.0145286300000000, 0.0000000000000000, 0.0085837900000000 ] - [ 0.0146628400000000, 0.0000365200000000, 0.0085068300000000 ] - [ 0.0145435000000000, -0.0000140500000000, 0.0085723200000000 ] - [ 0.0146628400000000, -0.0000365200000000, 0.0085068300000000 ] - [ 0.0145435000000000, 0.0000140500000000, 0.0085723200000000 ] - [ -0.0147993000000000, 0.0001349900000000, 0.0086534100000000 ] - [ -0.0149381600000000, -0.0005891100000000, 0.0081554600000000 ] - [ -0.0147069800000000, 0.0000000000000000, 0.0086255400000000 ] - [ -0.0145314700000000, 0.0000000000000000, 0.0085280200000000 ] - [ -0.0147993000000000, -0.0001349900000000, 0.0086534100000000 ] - [ -0.0149381600000000, 0.0005891100000000, 0.0081554600000000 ] - [ 0.0013099300000000, -0.0000085200000000, 0.0002140600000000 ] - [ 0.0011671300000000, 0.0000029500000000, 0.0002432100000000 ] - [ 0.0013034300000000, 0.0000000000000000, 0.0002048800000000 ] - [ 0.0011734200000000, 0.0000000000000000, 0.0002444200000000 ] - [ 0.0013099300000000, 0.0000085200000000, 0.0002140600000000 ] - [ 0.0011671300000000, -0.0000029500000000, 0.0002432100000000 ] - [ 0.0146640500000000, 0.0000000000000000, -0.0086998900000000 ] - [ 0.0144832600000000, 0.0000000000000000, -0.0084969900000000 ] - [ 0.0146771400000000, -0.0000376400000000, -0.0086482900000000 ] - [ 0.0145188500000000, 0.0000181000000000, -0.0085235500000000 ] - [ 0.0146771400000000, 0.0000376400000000, -0.0086482900000000 ] - [ 0.0145188500000000, -0.0000181000000000, -0.0085235500000000 ] - [ -0.0149202600000000, 0.0016159200000000, -0.0097990400000000 ] - [ -0.0147646500000000, -0.0000315900000000, -0.0085395300000000 ] - [ -0.0144485500000000, 0.0000000000000000, -0.0085652000000000 ] - [ -0.0147186200000000, 0.0000000000000000, -0.0085506400000000 ] - [ -0.0149202600000000, -0.0016159200000000, -0.0097990400000000 ] - [ -0.0147646500000000, 0.0000315900000000, -0.0085395300000000 ] - [ -0.0015654800000000, 0.0000000000000000, 0.0018861000000000 ] - [ -0.0007529300000000, 0.0000000000000000, 0.0002772100000000 ] - [ -0.0004275000000000, 0.0001899200000000, 0.0006050500000000 ] - [ -0.0007091400000000, -0.0000656400000000, 0.0003286000000000 ] - [ -0.0004275000000000, -0.0001899200000000, 0.0006050500000000 ] - [ -0.0007091400000000, 0.0000656400000000, 0.0003286000000000 ] - [ -0.0019260500000000, 0.0000000000000000, -0.0003116000000000 ] - [ -0.0019227600000000, 0.0000000000000000, -0.0001081700000000 ] - [ -0.0014890400000000, 0.0002682500000000, -0.0003135300000000 ] - [ -0.0014881400000000, -0.0002694400000000, -0.0002156100000000 ] - [ -0.0014890400000000, -0.0002682500000000, -0.0003135300000000 ] - [ -0.0014881400000000, 0.0002694400000000, -0.0002156100000000 ] - [ 0.0004356900000000, 0.0000125300000000, 0.0003365700000000 ] - [ 0.0004501200000000, -0.0000482500000000, 0.0004920500000000 ] - [ 0.0004519000000000, 0.0000000000000000, 0.0003537000000000 ] - [ 0.0004843200000000, 0.0000000000000000, 0.0004395200000000 ] - [ 0.0004356900000000, -0.0000125300000000, 0.0003365700000000 ] - [ 0.0004501200000000, 0.0000482500000000, 0.0004920500000000 ] - [ 0.0012682200000000, 0.0000056700000000, -0.0002245400000000 ] - [ 0.0011916700000000, -0.0000069100000000, -0.0002558500000000 ] - [ 0.0012556700000000, 0.0000000000000000, -0.0002497200000000 ] - [ 0.0012012300000000, 0.0000000000000000, -0.0002501700000000 ] - [ 0.0012682200000000, -0.0000056700000000, -0.0002245400000000 ] - [ 0.0011916700000000, 0.0000069100000000, -0.0002558500000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0025081400000000, 0.0029965500000000, 0.0004575200000000 ] - [ 0.0000780700000000, 0.0000657500000000, 0.0002111800000000 ] - [ 0.0001538900000000, -0.0005021600000000, 0.0002110000000000 ] - [ 0.0001527200000000, -0.0001314200000000, 0.0002109400000000 ] - [ 0.0027075500000000, 0.0029226600000000, -0.0000249700000000 ] - [ 0.0002276500000000, 0.0000651800000000, 0.0002108700000000 ] - [ -0.0038504200000000, 0.0000937400000000, -0.0010587400000000 ] - [ -0.0037627800000000, 0.0000122200000000, -0.0012096800000000 ] - [ -0.0037718400000000, -0.0001612500000000, -0.0012156300000000 ] - [ -0.0037719600000000, -0.0000234600000000, -0.0012158300000000 ] - [ -0.0036936200000000, 0.0000917300000000, -0.0013743600000000 ] - [ -0.0037811200000000, 0.0000121200000000, -0.0012220300000000 ] - [ 0.0025475700000000, 0.0029907700000000, -0.0015525800000000 ] - [ 0.0002182000000000, 0.0000597800000000, -0.0001978100000000 ] - [ 0.0001522900000000, -0.0005135000000000, -0.0002104000000000 ] - [ 0.0001531400000000, -0.0001195500000000, -0.0002108000000000 ] - [ -0.0021473300000000, 0.0029159100000000, 0.0010815900000000 ] - [ 0.0000878700000000, 0.0000592600000000, -0.0002237400000000 ] - [ -0.0001529900000000, 0.0000314900000000, 0.0002108500000000 ] - [ -0.0001528100000000, 0.0000334700000000, 0.0002107200000000 ] - [ -0.0001452500000000, -0.0000155200000000, 0.0002175000000000 ] - [ -0.0001620900000000, -0.0000162400000000, 0.0002115100000000 ] - [ -0.0001607400000000, -0.0000156100000000, 0.0002042400000000 ] - [ -0.0001437300000000, -0.0000164800000000, 0.0002101700000000 ] - [ 0.0037712000000000, 0.0002793200000000, 0.0012157700000000 ] - [ 0.0037728600000000, 0.0000661400000000, 0.0012161500000000 ] - [ 0.0038965100000000, -0.0001449300000000, 0.0013281500000000 ] - [ 0.0036836600000000, -0.0000361000000000, 0.0012932500000000 ] - [ 0.0036467700000000, -0.0001456300000000, 0.0011042400000000 ] - [ 0.0038599500000000, -0.0000363300000000, 0.0011394400000000 ] - [ -0.0037290600000000, 0.0000522800000000, 0.0011538800000000 ] - [ -0.0038327900000000, 0.0000343200000000, 0.0011357400000000 ] - [ -0.0037718300000000, -0.0001064000000000, 0.0012157000000000 ] - [ -0.0037719800000000, -0.0000617000000000, 0.0012158200000000 ] - [ -0.0038149400000000, 0.0000515400000000, 0.0012778700000000 ] - [ -0.0037110300000000, 0.0000341200000000, 0.0012960500000000 ] - [ 0.0037705100000000, 0.0004476400000000, -0.0012240200000000 ] - [ 0.0037719400000000, 0.0000353900000000, -0.0012159800000000 ] - [ 0.0037046000000000, -0.0002632300000000, -0.0015519300000000 ] - [ 0.0037661400000000, -0.0000170000000000, -0.0012297700000000 ] - [ 0.0038386800000000, -0.0002631700000000, -0.0008818200000000 ] - [ 0.0037778100000000, -0.0000171100000000, -0.0012022100000000 ] - [ -0.0001529500000000, 0.0000535400000000, -0.0002109100000000 ] - [ -0.0001529000000000, 0.0000178600000000, -0.0002108600000000 ] - [ -0.0001523300000000, -0.0000258600000000, -0.0002138800000000 ] - [ -0.0001553300000000, -0.0000086200000000, -0.0002128600000000 ] - [ -0.0001535300000000, -0.0000258300000000, -0.0002080800000000 ] - [ -0.0001504900000000, -0.0000086800000000, -0.0002088700000000 ] - [ 0.0153629900000000, -0.0006864300000000, 0.0081968100000000 ] - [ 0.0153546300000000, 0.0000340200000000, 0.0081564700000000 ] - [ 0.0153799900000000, -0.0004458100000000, 0.0085105000000000 ] - [ 0.0153744100000000, -0.0000149000000000, 0.0081636900000000 ] - [ 0.0153304000000000, -0.0004466900000000, 0.0078071600000000 ] - [ 0.0153347700000000, -0.0000146800000000, 0.0081503500000000 ] - [ -0.0153974200000000, 0.0000292800000000, 0.0081413600000000 ] - [ -0.0153649800000000, 0.0000107100000000, 0.0081549300000000 ] - [ -0.0153561400000000, -0.0000532600000000, 0.0081566400000000 ] - [ -0.0153557900000000, -0.0000172300000000, 0.0081567700000000 ] - [ -0.0153142300000000, 0.0000295000000000, 0.0081706800000000 ] - [ -0.0153469200000000, 0.0000106600000000, 0.0081578400000000 ] - [ -0.0153680100000000, 0.0000387800000000, -0.0081379900000000 ] - [ -0.0153777800000000, 0.0000051500000000, -0.0081542700000000 ] - [ -0.0153547200000000, -0.0000805700000000, -0.0081569600000000 ] - [ -0.0153546900000000, -0.0000140800000000, -0.0081568600000000 ] - [ -0.0153414300000000, 0.0000386200000000, -0.0081752200000000 ] - [ -0.0153309800000000, 0.0000051000000000, -0.0081590200000000 ] - [ 0.0153553800000000, 0.0000827800000000, -0.0081561900000000 ] - [ 0.0153562400000000, 0.0004308100000000, -0.0081558500000000 ] - [ 0.0155070900000000, -0.0000453600000000, -0.0082307600000000 ] - [ 0.0152958500000000, -0.0002188000000000, -0.0082173700000000 ] - [ 0.0152055700000000, -0.0000455200000000, -0.0080820100000000 ] - [ 0.0154158300000000, -0.0002193400000000, -0.0080963500000000 ] - [ 0.0004981900000000, -0.0000596800000000, -0.0003142700000000 ] - [ 0.0004979800000000, -0.0000105500000000, -0.0004037300000000 ] - [ 0.0004853900000000, 0.0001013600000000, -0.0004100100000000 ] - [ 0.0004852300000000, 0.0000221600000000, -0.0004104000000000 ] - [ 0.0004729300000000, -0.0000589900000000, -0.0005063500000000 ] - [ 0.0004727400000000, -0.0000105600000000, -0.0004169900000000 ] - [ -0.0012316900000000, -0.0148540100000000, 0.0002257300000000 ] - [ -0.0012344300000000, -0.0000373800000000, 0.0002369000000000 ] - [ -0.0012518100000000, 0.0011343300000000, 0.0000774800000000 ] - [ -0.0012357900000000, 0.0000195900000000, 0.0002309100000000 ] - [ -0.0012173900000000, 0.0011253700000000, 0.0003933100000000 ] - [ -0.0012333200000000, 0.0000196100000000, 0.0002416800000000 ] - [ -0.0004915300000000, -0.0007083400000000, -0.0004016500000000 ] - [ -0.0004849100000000, -0.0000289600000000, -0.0004110500000000 ] - [ -0.0004199200000000, 0.0002321500000000, -0.0006714200000000 ] - [ -0.0005340900000000, 0.0000140900000000, -0.0004287800000000 ] - [ -0.0005508900000000, 0.0002326100000000, -0.0001521700000000 ] - [ -0.0004361900000000, 0.0000142600000000, -0.0003936600000000 ] - [ 0.0146033700000000, -0.0001154300000000, 0.0085700800000000 ] - [ 0.0146028000000000, -0.0000281100000000, 0.0085698300000000 ] - [ 0.0145876100000000, 0.0000681800000000, 0.0084996600000000 ] - [ 0.0146078500000000, 0.0000139900000000, 0.0085611500000000 ] - [ 0.0146188000000000, 0.0000687700000000, 0.0086401800000000 ] - [ 0.0145982300000000, 0.0000141100000000, 0.0085784100000000 ] - [ -0.0146464700000000, -0.0000843100000000, 0.0085949800000000 ] - [ -0.0141121300000000, 0.0000394800000000, 0.0088801600000000 ] - [ -0.0146033900000000, 0.0001575000000000, 0.0085698800000000 ] - [ -0.0146026000000000, 0.0002664400000000, 0.0085700100000000 ] - [ -0.0145594600000000, -0.0000835400000000, 0.0085446000000000 ] - [ -0.0150926800000000, 0.0000406900000000, 0.0082603100000000 ] - [ 0.0012427900000000, -0.0000144600000000, 0.0002305600000000 ] - [ 0.0012314500000000, -0.0000053400000000, 0.0002324600000000 ] - [ 0.0012344100000000, 0.0000297900000000, 0.0002364300000000 ] - [ 0.0012344800000000, 0.0000112000000000, 0.0002363400000000 ] - [ 0.0012259500000000, -0.0000142800000000, 0.0002435100000000 ] - [ 0.0012374800000000, -0.0000052400000000, 0.0002408600000000 ] - [ 0.0146028300000000, -0.0000864400000000, -0.0085697700000000 ] - [ 0.0146031000000000, -0.0000299700000000, -0.0085695700000000 ] - [ 0.0146110600000000, 0.0000465700000000, -0.0085253600000000 ] - [ 0.0145939800000000, 0.0000149500000000, -0.0085586700000000 ] - [ 0.0145951800000000, 0.0000469600000000, -0.0086138500000000 ] - [ 0.0146120600000000, 0.0000152300000000, -0.0085805400000000 ] - [ -0.0156006300000000, 0.0012736700000000, -0.0098119800000000 ] - [ -0.0145864500000000, -0.0000313100000000, -0.0085751700000000 ] - [ -0.0146032500000000, 0.0004942600000000, -0.0085702500000000 ] - [ -0.0146031400000000, 0.0000638300000000, -0.0085697800000000 ] - [ -0.0136027500000000, 0.0012829500000000, -0.0073249400000000 ] - [ -0.0146197200000000, -0.0000309000000000, -0.0085642600000000 ] - [ -0.0004823800000000, -0.0005134100000000, 0.0004081000000000 ] - [ -0.0004849800000000, -0.0000937700000000, 0.0004105300000000 ] - [ -0.0006569900000000, 0.0002055100000000, 0.0006144400000000 ] - [ -0.0003891000000000, 0.0000544500000000, 0.0004567800000000 ] - [ -0.0003143600000000, 0.0002055800000000, 0.0002075700000000 ] - [ -0.0005811200000000, 0.0000545500000000, 0.0003646900000000 ] - [ -0.0012335500000000, -0.0003930900000000, -0.0002368900000000 ] - [ -0.0012350600000000, -0.0003931500000000, -0.0002367000000000 ] - [ -0.0015049400000000, 0.0002862000000000, -0.0002901200000000 ] - [ -0.0009660400000000, 0.0002863300000000, -0.0001797300000000 ] - [ -0.0009649500000000, 0.0002855300000000, -0.0001833700000000 ] - [ -0.0015014500000000, 0.0002853900000000, -0.0002927900000000 ] - [ 0.0004539200000000, -0.0000307400000000, 0.0003765700000000 ] - [ 0.0005133400000000, -0.0000305900000000, 0.0003867600000000 ] - [ 0.0004853700000000, 0.0000668000000000, 0.0004109600000000 ] - [ 0.0004855600000000, 0.0000566300000000, 0.0004107900000000 ] - [ 0.0005168200000000, -0.0000305600000000, 0.0004457700000000 ] - [ 0.0004562100000000, -0.0000299800000000, 0.0004359600000000 ] - [ 0.0012287900000000, -0.0000131600000000, -0.0002306200000000 ] - [ 0.0012412700000000, -0.0000070800000000, -0.0002274300000000 ] - [ 0.0012345200000000, 0.0000278600000000, -0.0002358100000000 ] - [ 0.0012344400000000, 0.0000146800000000, -0.0002362000000000 ] - [ 0.0012402700000000, -0.0000129300000000, -0.0002415700000000 ] - [ 0.0012274900000000, -0.0000070700000000, -0.0002452200000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002179200000000, -0.0001290000000000, 0.0012248400000000 ] - [ 0.0000918800000000, -0.0000084500000000, 0.0003645300000000 ] - [ 0.0001179900000000, 0.0000000000000000, 0.0004358400000000 ] - [ 0.0001245500000000, 0.0000000000000000, 0.0003245700000000 ] - [ 0.0002179200000000, 0.0001290000000000, 0.0012248400000000 ] - [ 0.0000918800000000, 0.0000084500000000, 0.0003645300000000 ] - [ -0.0037595600000000, 0.0003613700000000, -0.0018309200000000 ] - [ -0.0038020200000000, 0.0000058300000000, -0.0012253000000000 ] - [ -0.0037281000000000, 0.0000000000000000, -0.0013816600000000 ] - [ -0.0038030700000000, 0.0000000000000000, -0.0012247300000000 ] - [ -0.0037595600000000, -0.0003613700000000, -0.0018309200000000 ] - [ -0.0038020200000000, -0.0000058300000000, -0.0012253000000000 ] - [ -0.0012190700000000, -0.0014032800000000, 0.0016606500000000 ] - [ 0.0001489100000000, -0.0000048600000000, -0.0000831600000000 ] - [ 0.0002294900000000, 0.0000000000000000, 0.0000492000000000 ] - [ 0.0001476600000000, 0.0000000000000000, -0.0001242500000000 ] - [ -0.0012190700000000, 0.0014032800000000, 0.0016606500000000 ] - [ 0.0001489100000000, 0.0000048600000000, -0.0000831600000000 ] - [ -0.0002010300000000, 0.0000000000000000, 0.0000628300000000 ] - [ -0.0001711600000000, 0.0000000000000000, -0.0000814800000000 ] - [ -0.0002000100000000, -0.0000029100000000, 0.0000889500000000 ] - [ -0.0001798400000000, 0.0000214800000000, 0.0000456200000000 ] - [ -0.0002000100000000, 0.0000029100000000, 0.0000889500000000 ] - [ -0.0001798400000000, -0.0000214800000000, 0.0000456200000000 ] - [ 0.0032521900000000, 0.0000000000000000, 0.0010714700000000 ] - [ 0.0043407300000000, 0.0000000000000000, 0.0012730600000000 ] - [ 0.0034407800000000, 0.0002125100000000, 0.0011701900000000 ] - [ 0.0039057500000000, 0.0000594800000000, 0.0012689500000000 ] - [ 0.0034407800000000, -0.0002125100000000, 0.0011701900000000 ] - [ 0.0039057500000000, -0.0000594800000000, 0.0012689500000000 ] - [ -0.0035684500000000, -0.0002079200000000, 0.0009745700000000 ] - [ -0.0039286000000000, -0.0000455100000000, 0.0010617900000000 ] - [ -0.0037160300000000, 0.0000000000000000, 0.0011238700000000 ] - [ -0.0038194800000000, 0.0000000000000000, 0.0011449600000000 ] - [ -0.0035684500000000, 0.0002079200000000, 0.0009745700000000 ] - [ -0.0039286000000000, 0.0000455100000000, 0.0010617900000000 ] - [ 0.0044946700000000, 0.0000000000000000, 0.0031550200000000 ] - [ 0.0037911900000000, 0.0000000000000000, -0.0012251000000000 ] - [ 0.0037692200000000, -0.0003857000000000, -0.0012674200000000 ] - [ 0.0037696200000000, -0.0000216800000000, -0.0012213000000000 ] - [ 0.0037692200000000, 0.0003857000000000, -0.0012674200000000 ] - [ 0.0037696200000000, 0.0000216800000000, -0.0012213000000000 ] - [ -0.0000752600000000, 0.0000000000000000, -0.0005678000000000 ] - [ -0.0001397700000000, 0.0000000000000000, -0.0003043000000000 ] - [ -0.0000905300000000, -0.0000683000000000, -0.0004508400000000 ] - [ -0.0001434300000000, -0.0000019700000000, -0.0002888100000000 ] - [ -0.0000905300000000, 0.0000683000000000, -0.0004508400000000 ] - [ -0.0001434300000000, 0.0000019700000000, -0.0002888100000000 ] - [ 0.0200955100000000, 0.0000000000000000, 0.0285967300000000 ] - [ 0.0153497200000000, 0.0000000000000000, 0.0082466600000000 ] - [ 0.0157151700000000, 0.0005657200000000, 0.0086233100000000 ] - [ 0.0153490400000000, 0.0000138800000000, 0.0082379800000000 ] - [ 0.0157151700000000, -0.0005657200000000, 0.0086233100000000 ] - [ 0.0153490400000000, -0.0000138800000000, 0.0082379800000000 ] - [ -0.0154677500000000, -0.0001124300000000, 0.0078696300000000 ] - [ -0.0153486700000000, -0.0000294200000000, 0.0080724900000000 ] - [ -0.0153257700000000, 0.0000000000000000, 0.0080170200000000 ] - [ -0.0153497000000000, 0.0000000000000000, 0.0080827200000000 ] - [ -0.0154677500000000, 0.0001124300000000, 0.0078696300000000 ] - [ -0.0153486700000000, 0.0000294200000000, 0.0080724900000000 ] - [ -0.0154484400000000, 0.0000403300000000, -0.0083639300000000 ] - [ -0.0152253300000000, 0.0000069900000000, -0.0083051100000000 ] - [ -0.0154597400000000, 0.0000000000000000, -0.0082968700000000 ] - [ -0.0153303700000000, 0.0000000000000000, -0.0082427500000000 ] - [ -0.0154484400000000, -0.0000403300000000, -0.0083639300000000 ] - [ -0.0152253300000000, -0.0000069900000000, -0.0083051100000000 ] - [ 0.0159395200000000, 0.0000000000000000, -0.0076259900000000 ] - [ 0.0149401900000000, 0.0000000000000000, -0.0078634600000000 ] - [ 0.0153968200000000, -0.0000596500000000, -0.0079934200000000 ] - [ 0.0151313800000000, -0.0003148200000000, -0.0078903500000000 ] - [ 0.0153968200000000, 0.0000596500000000, -0.0079934200000000 ] - [ 0.0151313800000000, 0.0003148200000000, -0.0078903500000000 ] - [ 0.0004221600000000, 0.0003507300000000, 0.0001072200000000 ] - [ 0.0005064300000000, 0.0000108700000000, -0.0003432900000000 ] - [ 0.0004633600000000, 0.0000000000000000, -0.0002961600000000 ] - [ 0.0005009400000000, 0.0000000000000000, -0.0003499400000000 ] - [ 0.0004221600000000, -0.0003507300000000, 0.0001072200000000 ] - [ 0.0005064300000000, -0.0000108700000000, -0.0003432900000000 ] - [ -0.0028929300000000, 0.0000000000000000, -0.0399239200000000 ] - [ -0.0012377200000000, 0.0000000000000000, 0.0001064100000000 ] - [ -0.0012863300000000, 0.0001562700000000, -0.0004203600000000 ] - [ -0.0012368600000000, 0.0000052700000000, 0.0001207700000000 ] - [ -0.0012863300000000, -0.0001562700000000, -0.0004203600000000 ] - [ -0.0012368600000000, -0.0000052700000000, 0.0001207700000000 ] - [ -0.0041696600000000, 0.0000000000000000, 0.0041750200000000 ] - [ -0.0004166000000000, 0.0000000000000000, -0.0004840700000000 ] - [ -0.0006825200000000, -0.0002175100000000, -0.0004695400000000 ] - [ -0.0004192400000000, -0.0000051500000000, -0.0004764300000000 ] - [ -0.0006825200000000, 0.0002175100000000, -0.0004695400000000 ] - [ -0.0004192400000000, 0.0000051500000000, -0.0004764300000000 ] - [ 0.0147319200000000, 0.0000000000000000, 0.0088459700000000 ] - [ 0.0145359400000000, 0.0000000000000000, 0.0086384800000000 ] - [ 0.0146698200000000, -0.0001115500000000, 0.0088050900000000 ] - [ 0.0145585200000000, -0.0000341700000000, 0.0086102800000000 ] - [ 0.0146698200000000, 0.0001115500000000, 0.0088050900000000 ] - [ 0.0145585200000000, 0.0000341700000000, 0.0086102800000000 ] - [ -0.0147613100000000, 0.0001670600000000, 0.0084898000000000 ] - [ -0.0138591500000000, 0.0006307500000000, 0.0085413200000000 ] - [ -0.0146347200000000, 0.0000000000000000, 0.0085222500000000 ] - [ -0.0145654400000000, 0.0000000000000000, 0.0084769800000000 ] - [ -0.0147613100000000, -0.0001670600000000, 0.0084898000000000 ] - [ -0.0138591500000000, -0.0006307500000000, 0.0085413200000000 ] - [ 0.0012122700000000, 0.0000068000000000, 0.0006194300000000 ] - [ 0.0012418500000000, 0.0000043200000000, 0.0003582400000000 ] - [ 0.0012038500000000, 0.0000000000000000, 0.0004445300000000 ] - [ 0.0012437200000000, 0.0000000000000000, 0.0003413300000000 ] - [ 0.0012122700000000, -0.0000068000000000, 0.0006194300000000 ] - [ 0.0012418500000000, -0.0000043200000000, 0.0003582400000000 ] - [ 0.0148420700000000, 0.0000000000000000, -0.0081822200000000 ] - [ 0.0145186800000000, 0.0000000000000000, -0.0084551200000000 ] - [ 0.0146398800000000, 0.0000936500000000, -0.0084510600000000 ] - [ 0.0145727100000000, 0.0000345300000000, -0.0085000100000000 ] - [ 0.0146398800000000, -0.0000936500000000, -0.0084510600000000 ] - [ 0.0145727100000000, -0.0000345300000000, -0.0085000100000000 ] - [ -0.0127060500000000, -0.0030806900000000, -0.0061098200000000 ] - [ -0.0146454600000000, -0.0000234300000000, -0.0086397700000000 ] - [ -0.0146128700000000, 0.0000000000000000, -0.0086927400000000 ] - [ -0.0146161000000000, 0.0000000000000000, -0.0086219500000000 ] - [ -0.0127060500000000, 0.0030806900000000, -0.0061098200000000 ] - [ -0.0146454600000000, 0.0000234300000000, -0.0086397700000000 ] - [ -0.0026708000000000, 0.0000000000000000, 0.0014178700000000 ] - [ -0.0003209200000000, 0.0000000000000000, 0.0003644500000000 ] - [ -0.0006070500000000, 0.0001588000000000, 0.0003381300000000 ] - [ -0.0003138600000000, 0.0000716200000000, 0.0003886800000000 ] - [ -0.0006070500000000, -0.0001588000000000, 0.0003381300000000 ] - [ -0.0003138600000000, -0.0000716200000000, 0.0003886800000000 ] - [ -0.0011038300000000, 0.0000000000000000, -0.0008147700000000 ] - [ -0.0013111300000000, 0.0000000000000000, -0.0008150800000000 ] - [ -0.0012135900000000, 0.0000559800000000, -0.0005367600000000 ] - [ -0.0013121500000000, -0.0000534700000000, -0.0005372900000000 ] - [ -0.0012135900000000, -0.0000559800000000, -0.0005367600000000 ] - [ -0.0013121500000000, 0.0000534700000000, -0.0005372900000000 ] - [ 0.0006216000000000, -0.0000157500000000, 0.0005647600000000 ] - [ 0.0002208600000000, -0.0001430800000000, 0.0006635900000000 ] - [ 0.0005879700000000, 0.0000000000000000, 0.0005289800000000 ] - [ 0.0004108100000000, 0.0000000000000000, 0.0005028900000000 ] - [ 0.0006216000000000, 0.0000157500000000, 0.0005647600000000 ] - [ 0.0002208600000000, 0.0001430800000000, 0.0006635900000000 ] - [ 0.0012233800000000, 0.0000055100000000, 0.0000498100000000 ] - [ 0.0012547300000000, 0.0000092500000000, -0.0000355200000000 ] - [ 0.0012491700000000, 0.0000000000000000, -0.0000236700000000 ] - [ 0.0012494500000000, 0.0000000000000000, -0.0001114700000000 ] - [ 0.0012233800000000, -0.0000055100000000, 0.0000498100000000 ] - [ 0.0012547300000000, -0.0000092500000000, -0.0000355200000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000997900000000, 0.0001178100000000, -0.0007988700000000 ] - [ 0.0002141400000000, 0.0000086600000000, 0.0000587800000000 ] - [ 0.0001870200000000, 0.0000000000000000, -0.0000124400000000 ] - [ 0.0001814900000000, 0.0000000000000000, 0.0000983900000000 ] - [ 0.0000997900000000, -0.0001178100000000, -0.0007988700000000 ] - [ 0.0002141400000000, -0.0000086600000000, 0.0000587800000000 ] - [ -0.0037825600000000, -0.0003595800000000, -0.0006048000000000 ] - [ -0.0037425400000000, -0.0000058100000000, -0.0012067700000000 ] - [ -0.0038161300000000, 0.0000000000000000, -0.0010514900000000 ] - [ -0.0037413900000000, 0.0000000000000000, -0.0012072500000000 ] - [ -0.0037825600000000, 0.0003595800000000, -0.0006048000000000 ] - [ -0.0037425400000000, 0.0000058100000000, -0.0012067700000000 ] - [ 0.0015443700000000, 0.0014221400000000, -0.0020742200000000 ] - [ 0.0001563500000000, 0.0000051300000000, -0.0003384700000000 ] - [ 0.0000780300000000, 0.0000000000000000, -0.0004705900000000 ] - [ 0.0001577600000000, 0.0000000000000000, -0.0002976400000000 ] - [ 0.0015443700000000, -0.0014221400000000, -0.0020742200000000 ] - [ 0.0001563500000000, -0.0000051300000000, -0.0003384700000000 ] - [ -0.0001051900000000, 0.0000000000000000, 0.0003587900000000 ] - [ -0.0001353000000000, 0.0000000000000000, 0.0005026600000000 ] - [ -0.0001061300000000, 0.0000029100000000, 0.0003328800000000 ] - [ -0.0001264400000000, -0.0000217700000000, 0.0003759500000000 ] - [ -0.0001061300000000, -0.0000029100000000, 0.0003328800000000 ] - [ -0.0001264400000000, 0.0000217700000000, 0.0003759500000000 ] - [ 0.0042874000000000, 0.0000000000000000, 0.0013582500000000 ] - [ 0.0032033000000000, 0.0000000000000000, 0.0011575200000000 ] - [ 0.0041025000000000, -0.0002121200000000, 0.0012605800000000 ] - [ 0.0036390600000000, -0.0000594900000000, 0.0011624700000000 ] - [ 0.0041025000000000, 0.0002121200000000, 0.0012605800000000 ] - [ 0.0036390600000000, 0.0000594900000000, 0.0011624700000000 ] - [ -0.0039744500000000, 0.0002066000000000, 0.0014570800000000 ] - [ -0.0036169500000000, 0.0000450400000000, 0.0013702200000000 ] - [ -0.0038279800000000, 0.0000000000000000, 0.0013085100000000 ] - [ -0.0037252500000000, 0.0000000000000000, 0.0012871900000000 ] - [ -0.0039744500000000, -0.0002066000000000, 0.0014570800000000 ] - [ -0.0036169500000000, -0.0000450400000000, 0.0013702200000000 ] - [ 0.0030995900000000, 0.0000000000000000, -0.0053357200000000 ] - [ 0.0037529200000000, 0.0000000000000000, -0.0012061700000000 ] - [ 0.0037751300000000, 0.0003826600000000, -0.0011627400000000 ] - [ 0.0037743900000000, 0.0000215600000000, -0.0012099600000000 ] - [ 0.0037751300000000, -0.0003826600000000, -0.0011627400000000 ] - [ 0.0037743900000000, -0.0000215600000000, -0.0012099600000000 ] - [ -0.0002298000000000, 0.0000000000000000, 0.0001432200000000 ] - [ -0.0001665200000000, 0.0000000000000000, -0.0001178700000000 ] - [ -0.0002150500000000, 0.0000675700000000, 0.0000276100000000 ] - [ -0.0001628000000000, 0.0000018700000000, -0.0001332500000000 ] - [ -0.0002150500000000, -0.0000675700000000, 0.0000276100000000 ] - [ -0.0001628000000000, -0.0000018700000000, -0.0001332500000000 ] - [ 0.0103013300000000, 0.0000000000000000, -0.0135811200000000 ] - [ 0.0153651100000000, 0.0000000000000000, 0.0080647700000000 ] - [ 0.0150008500000000, -0.0005640700000000, 0.0076874200000000 ] - [ 0.0153660800000000, -0.0000139700000000, 0.0080737800000000 ] - [ 0.0150008500000000, 0.0005640700000000, 0.0076874200000000 ] - [ 0.0153660800000000, 0.0000139700000000, 0.0080737800000000 ] - [ -0.0152513200000000, 0.0001108500000000, 0.0084392400000000 ] - [ -0.0153693800000000, 0.0000293900000000, 0.0082383800000000 ] - [ -0.0153918400000000, 0.0000000000000000, 0.0082939300000000 ] - [ -0.0153681200000000, 0.0000000000000000, 0.0082284000000000 ] - [ -0.0152513200000000, -0.0001108500000000, 0.0084392400000000 ] - [ -0.0153693800000000, -0.0000293900000000, 0.0082383800000000 ] - [ -0.0152669900000000, -0.0000394500000000, -0.0079481600000000 ] - [ -0.0154900800000000, -0.0000070900000000, -0.0080061300000000 ] - [ -0.0152552600000000, 0.0000000000000000, -0.0080151300000000 ] - [ -0.0153845900000000, 0.0000000000000000, -0.0080692400000000 ] - [ -0.0152669900000000, 0.0000394500000000, -0.0079481600000000 ] - [ -0.0154900800000000, 0.0000070900000000, -0.0080061300000000 ] - [ 0.0147816600000000, 0.0000000000000000, -0.0086795500000000 ] - [ 0.0157765900000000, 0.0000000000000000, -0.0084443400000000 ] - [ 0.0153209900000000, 0.0000593200000000, -0.0083153300000000 ] - [ 0.0155855500000000, 0.0003127800000000, -0.0084185300000000 ] - [ 0.0153209900000000, -0.0000593200000000, -0.0083153300000000 ] - [ 0.0155855500000000, -0.0003127800000000, -0.0084185300000000 ] - [ 0.0005478900000000, -0.0003468900000000, -0.0009259600000000 ] - [ 0.0004651300000000, -0.0000107900000000, -0.0004791300000000 ] - [ 0.0005070900000000, 0.0000000000000000, -0.0005263000000000 ] - [ 0.0004700900000000, 0.0000000000000000, -0.0004727100000000 ] - [ 0.0005478900000000, 0.0003468900000000, -0.0009259600000000 ] - [ 0.0004651300000000, 0.0000107900000000, -0.0004791300000000 ] - [ 0.0006383600000000, 0.0000000000000000, 0.0415076500000000 ] - [ -0.0012315600000000, 0.0000000000000000, 0.0003690100000000 ] - [ -0.0011839600000000, -0.0001591200000000, 0.0008932700000000 ] - [ -0.0012326900000000, -0.0000051100000000, 0.0003536100000000 ] - [ -0.0011839600000000, 0.0001591200000000, 0.0008932700000000 ] - [ -0.0012326900000000, 0.0000051100000000, 0.0003536100000000 ] - [ 0.0032552200000000, 0.0000000000000000, -0.0050603600000000 ] - [ -0.0005530600000000, 0.0000000000000000, -0.0003393100000000 ] - [ -0.0002890800000000, 0.0002164400000000, -0.0003527700000000 ] - [ -0.0005514900000000, 0.0000050800000000, -0.0003467700000000 ] - [ -0.0002890800000000, -0.0002164400000000, -0.0003527700000000 ] - [ -0.0005514900000000, -0.0000050800000000, -0.0003467700000000 ] - [ 0.0144775900000000, 0.0000000000000000, 0.0082994700000000 ] - [ 0.0146722200000000, 0.0000000000000000, 0.0085038100000000 ] - [ 0.0145387000000000, 0.0001116300000000, 0.0083375600000000 ] - [ 0.0146498300000000, 0.0000343800000000, 0.0085320500000000 ] - [ 0.0145387000000000, -0.0001116300000000, 0.0083375600000000 ] - [ 0.0146498300000000, -0.0000343800000000, 0.0085320500000000 ] - [ -0.0144474200000000, -0.0001658900000000, 0.0086511900000000 ] - [ -0.0153441700000000, -0.0006262900000000, 0.0085988800000000 ] - [ -0.0145736700000000, 0.0000000000000000, 0.0086194300000000 ] - [ -0.0146427200000000, 0.0000000000000000, 0.0086641500000000 ] - [ -0.0144474200000000, 0.0001658900000000, 0.0086511900000000 ] - [ -0.0153441700000000, 0.0006262900000000, 0.0085988800000000 ] - [ 0.0012569400000000, -0.0000065800000000, -0.0001416400000000 ] - [ 0.0012277600000000, -0.0000044000000000, 0.0001175400000000 ] - [ 0.0012655400000000, 0.0000000000000000, 0.0000311400000000 ] - [ 0.0012258900000000, 0.0000000000000000, 0.0001335300000000 ] - [ 0.0012569400000000, 0.0000065800000000, -0.0001416400000000 ] - [ 0.0012277600000000, 0.0000044000000000, 0.0001175400000000 ] - [ 0.0143692700000000, 0.0000000000000000, -0.0089561000000000 ] - [ 0.0146890600000000, 0.0000000000000000, -0.0086861500000000 ] - [ 0.0145685600000000, -0.0000927400000000, -0.0086904000000000 ] - [ 0.0146353000000000, -0.0000344200000000, -0.0086416600000000 ] - [ 0.0145685600000000, 0.0000927400000000, -0.0086904000000000 ] - [ 0.0146353000000000, 0.0000344200000000, -0.0086416600000000 ] - [ -0.0165264000000000, 0.0031146200000000, -0.0110607700000000 ] - [ -0.0145625600000000, 0.0000232600000000, -0.0085015500000000 ] - [ -0.0145946200000000, 0.0000000000000000, -0.0084482800000000 ] - [ -0.0145922900000000, 0.0000000000000000, -0.0085195600000000 ] - [ -0.0165264000000000, -0.0031146200000000, -0.0110607700000000 ] - [ -0.0145625600000000, -0.0000232600000000, -0.0085015500000000 ] - [ 0.0016740400000000, 0.0000000000000000, -0.0005850400000000 ] - [ -0.0006494400000000, 0.0000000000000000, 0.0004573500000000 ] - [ -0.0003650400000000, -0.0001585500000000, 0.0004824500000000 ] - [ -0.0006564300000000, -0.0000711200000000, 0.0004336400000000 ] - [ -0.0003650400000000, 0.0001585500000000, 0.0004824500000000 ] - [ -0.0006564300000000, 0.0000711200000000, 0.0004336400000000 ] - [ -0.0013623400000000, 0.0000000000000000, 0.0003377100000000 ] - [ -0.0011605400000000, 0.0000000000000000, 0.0003374700000000 ] - [ -0.0012544200000000, -0.0000568500000000, 0.0000613600000000 ] - [ -0.0011582200000000, 0.0000531800000000, 0.0000605700000000 ] - [ -0.0012544200000000, 0.0000568500000000, 0.0000613600000000 ] - [ -0.0011582200000000, -0.0000531800000000, 0.0000605700000000 ] - [ 0.0003497900000000, 0.0000153200000000, 0.0002597500000000 ] - [ 0.0007502300000000, 0.0001436300000000, 0.0001607200000000 ] - [ 0.0003830300000000, 0.0000000000000000, 0.0002950100000000 ] - [ 0.0005598100000000, 0.0000000000000000, 0.0003215400000000 ] - [ 0.0003497900000000, -0.0000153200000000, 0.0002597500000000 ] - [ 0.0007502300000000, -0.0001436300000000, 0.0001607200000000 ] - [ 0.0012459000000000, -0.0000056700000000, -0.0005227800000000 ] - [ 0.0012152300000000, -0.0000090200000000, -0.0004388500000000 ] - [ 0.0012202400000000, 0.0000000000000000, -0.0004495800000000 ] - [ 0.0012202500000000, 0.0000000000000000, -0.0003618800000000 ] - [ 0.0012459000000000, 0.0000056700000000, -0.0005227800000000 ] - [ 0.0012152300000000, 0.0000090200000000, -0.0004388500000000 ]- atom: 91 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002861300000000, 0.0000051500000000, 0.0001575500000000 ] - [ 0.0000544000000000, -0.0000040200000000, 0.0002278800000000 ] - [ 0.0002491300000000, 0.0000000000000000, 0.0001828500000000 ] - [ 0.0000677200000000, 0.0000000000000000, 0.0002262300000000 ] - [ 0.0002861300000000, -0.0000051500000000, 0.0001575500000000 ] - [ 0.0000544000000000, 0.0000040200000000, 0.0002278800000000 ] - [ -0.0018155000000000, 0.0012913400000000, -0.0006528700000000 ] - [ -0.0042072800000000, 0.0000118300000000, -0.0011808100000000 ] - [ -0.0036397900000000, 0.0000000000000000, -0.0011553700000000 ] - [ -0.0039131600000000, 0.0000000000000000, -0.0012301700000000 ] - [ -0.0018155000000000, -0.0012913400000000, -0.0006528700000000 ] - [ -0.0042072800000000, -0.0000118300000000, -0.0011808100000000 ] - [ 0.0001196400000000, -0.0000783100000000, -0.0003643600000000 ] - [ 0.0001306900000000, 0.0000397000000000, -0.0001112900000000 ] - [ 0.0001378400000000, 0.0000000000000000, -0.0002965100000000 ] - [ 0.0001590200000000, 0.0000000000000000, -0.0001503500000000 ] - [ 0.0001196400000000, 0.0000783100000000, -0.0003643600000000 ] - [ 0.0001306900000000, -0.0000397000000000, -0.0001112900000000 ] - [ -0.0007947900000000, 0.0000000000000000, -0.0003738100000000 ] - [ -0.0005575800000000, 0.0000000000000000, 0.0003544400000000 ] - [ -0.0001898800000000, 0.0002520500000000, 0.0000584200000000 ] - [ -0.0003082000000000, -0.0001282700000000, 0.0002378800000000 ] - [ -0.0001898800000000, -0.0002520500000000, 0.0000584200000000 ] - [ -0.0003082000000000, 0.0001282700000000, 0.0002378800000000 ] - [ 0.0058961100000000, 0.0000000000000000, 0.0000776800000000 ] - [ 0.0034989300000000, 0.0000000000000000, 0.0011606600000000 ] - [ 0.0040532400000000, 0.0002016500000000, 0.0014676300000000 ] - [ 0.0036077500000000, -0.0000361200000000, 0.0011685900000000 ] - [ 0.0040532400000000, -0.0002016500000000, 0.0014676300000000 ] - [ 0.0036077500000000, 0.0000361200000000, 0.0011685900000000 ] - [ -0.0036741700000000, -0.0000049200000000, 0.0010239800000000 ] - [ -0.0038886000000000, -0.0000115700000000, 0.0012504700000000 ] - [ -0.0036901700000000, 0.0000000000000000, 0.0011518600000000 ] - [ -0.0038703700000000, 0.0000000000000000, 0.0012361100000000 ] - [ -0.0036741700000000, 0.0000049200000000, 0.0010239800000000 ] - [ -0.0038886000000000, 0.0000115700000000, 0.0012504700000000 ] - [ 0.0038298500000000, 0.0000000000000000, -0.0011827400000000 ] - [ 0.0037056000000000, 0.0000000000000000, -0.0012513200000000 ] - [ 0.0038257900000000, -0.0000186300000000, -0.0011961600000000 ] - [ 0.0037166100000000, 0.0000079500000000, -0.0012473900000000 ] - [ 0.0038257900000000, 0.0000186300000000, -0.0011961600000000 ] - [ 0.0037166100000000, -0.0000079500000000, -0.0012473900000000 ] - [ 0.0007151500000000, 0.0000000000000000, -0.0004258500000000 ] - [ -0.0003368600000000, 0.0000000000000000, -0.0002125200000000 ] - [ 0.0002013900000000, -0.0000234000000000, -0.0001879100000000 ] - [ -0.0003019200000000, 0.0000163900000000, -0.0002091200000000 ] - [ 0.0002013900000000, 0.0000234000000000, -0.0001879100000000 ] - [ -0.0003019200000000, -0.0000163900000000, -0.0002091200000000 ] - [ 0.0156248800000000, 0.0000000000000000, 0.0079044700000000 ] - [ 0.0151581500000000, 0.0000000000000000, 0.0082385200000000 ] - [ 0.0154545100000000, -0.0000483200000000, 0.0080936500000000 ] - [ 0.0152370100000000, 0.0000009000000000, 0.0082021200000000 ] - [ 0.0154545100000000, 0.0000483200000000, 0.0080936500000000 ] - [ 0.0152370100000000, -0.0000009000000000, 0.0082021200000000 ] - [ -0.0153469700000000, -0.0000197700000000, 0.0085464300000000 ] - [ -0.0154271400000000, 0.0000267900000000, 0.0080563600000000 ] - [ -0.0152771600000000, 0.0000000000000000, 0.0081827000000000 ] - [ -0.0154313800000000, 0.0000000000000000, 0.0081342300000000 ] - [ -0.0153469700000000, 0.0000197700000000, 0.0085464300000000 ] - [ -0.0154271400000000, -0.0000267900000000, 0.0080563600000000 ] - [ -0.0115041400000000, -0.0080516500000000, -0.0059650300000000 ] - [ -0.0155745700000000, 0.0000018900000000, -0.0081099500000000 ] - [ -0.0150767300000000, 0.0000000000000000, -0.0080651500000000 ] - [ -0.0154559300000000, 0.0000000000000000, -0.0081556500000000 ] - [ -0.0115041400000000, 0.0080516500000000, -0.0059650300000000 ] - [ -0.0155745700000000, -0.0000018900000000, -0.0081099500000000 ] - [ 0.0153886800000000, 0.0000000000000000, -0.0080751700000000 ] - [ 0.0153128700000000, 0.0000000000000000, -0.0081966900000000 ] - [ 0.0154016200000000, 0.0000121100000000, -0.0081481700000000 ] - [ 0.0153093400000000, -0.0000078100000000, -0.0081738600000000 ] - [ 0.0154016200000000, -0.0000121100000000, -0.0081481700000000 ] - [ 0.0153093400000000, 0.0000078100000000, -0.0081738600000000 ] - [ 0.0002634400000000, 0.0000737000000000, -0.0005257600000000 ] - [ 0.0006192700000000, -0.0000065400000000, -0.0003633400000000 ] - [ 0.0003651500000000, 0.0000000000000000, -0.0004192700000000 ] - [ 0.0005962800000000, 0.0000000000000000, -0.0003828300000000 ] - [ 0.0002634400000000, -0.0000737000000000, -0.0005257600000000 ] - [ 0.0006192700000000, 0.0000065400000000, -0.0003633400000000 ] - [ -0.0013145100000000, 0.0000000000000000, 0.0003627300000000 ] - [ -0.0011607600000000, 0.0000000000000000, 0.0001672300000000 ] - [ -0.0012949900000000, 0.0000155600000000, 0.0003007100000000 ] - [ -0.0011755400000000, -0.0000047700000000, 0.0001893500000000 ] - [ -0.0012949900000000, -0.0000155600000000, 0.0003007100000000 ] - [ -0.0011755400000000, 0.0000047700000000, 0.0001893500000000 ] - [ -0.0002444500000000, 0.0000000000000000, 0.0001888700000000 ] - [ -0.0001709800000000, 0.0000000000000000, -0.0006075800000000 ] - [ -0.0004486900000000, 0.0002467200000000, -0.0001408400000000 ] - [ -0.0003263300000000, -0.0000918600000000, -0.0005586900000000 ] - [ -0.0004486900000000, -0.0002467200000000, -0.0001408400000000 ] - [ -0.0003263300000000, 0.0000918600000000, -0.0005586900000000 ] - [ -0.0078162000000000, 0.0000000000000000, 0.0029533900000000 ] - [ 0.0148300500000000, 0.0000000000000000, 0.0085964300000000 ] - [ 0.0144902400000000, 0.0001753800000000, 0.0087097600000000 ] - [ 0.0147724400000000, 0.0000146100000000, 0.0085921400000000 ] - [ 0.0144902400000000, -0.0001753800000000, 0.0087097600000000 ] - [ 0.0147724400000000, -0.0000146100000000, 0.0085921400000000 ] - [ -0.0146116400000000, -0.0000229600000000, 0.0085787200000000 ] - [ -0.0145722800000000, 0.0000137400000000, 0.0085745200000000 ] - [ -0.0146240000000000, 0.0000000000000000, 0.0085824200000000 ] - [ -0.0145774200000000, 0.0000000000000000, 0.0085686400000000 ] - [ -0.0146116400000000, 0.0000229600000000, 0.0085787200000000 ] - [ -0.0145722800000000, -0.0000137400000000, 0.0085745200000000 ] - [ 0.0015722500000000, 0.0004926000000000, -0.0005108500000000 ] - [ 0.0014321800000000, -0.0000435900000000, 0.0003918400000000 ] - [ 0.0011625300000000, 0.0000000000000000, 0.0001963300000000 ] - [ 0.0013394900000000, 0.0000000000000000, 0.0002652800000000 ] - [ 0.0015722500000000, -0.0004926000000000, -0.0005108500000000 ] - [ 0.0014321800000000, 0.0000435900000000, 0.0003918400000000 ] - [ 0.0146698700000000, 0.0000000000000000, -0.0087119900000000 ] - [ 0.0146706100000000, 0.0000000000000000, -0.0084582300000000 ] - [ 0.0146561100000000, 0.0001170900000000, -0.0086709600000000 ] - [ 0.0146565500000000, -0.0000574200000000, -0.0085015400000000 ] - [ 0.0146561100000000, -0.0001170900000000, -0.0086709600000000 ] - [ 0.0146565500000000, 0.0000574200000000, -0.0085015400000000 ] - [ -0.0150025600000000, 0.0001178700000000, -0.0084525600000000 ] - [ -0.0144449500000000, -0.0000192100000000, -0.0085755300000000 ] - [ -0.0147679100000000, 0.0000000000000000, -0.0085927100000000 ] - [ -0.0144812700000000, 0.0000000000000000, -0.0085607100000000 ] - [ -0.0150025600000000, -0.0001178700000000, -0.0084525600000000 ] - [ -0.0144449500000000, 0.0000192100000000, -0.0085755300000000 ] - [ -0.0006282200000000, 0.0000000000000000, 0.0004241300000000 ] - [ -0.0003797400000000, 0.0000000000000000, 0.0004218100000000 ] - [ -0.0005856700000000, -0.0000081300000000, 0.0004354800000000 ] - [ -0.0003946200000000, 0.0000017600000000, 0.0004152300000000 ] - [ -0.0005856700000000, 0.0000081300000000, 0.0004354800000000 ] - [ -0.0003946200000000, -0.0000017600000000, 0.0004152300000000 ] - [ -0.0012964000000000, 0.0000000000000000, -0.0004709000000000 ] - [ -0.0011149100000000, 0.0000000000000000, -0.0001498800000000 ] - [ -0.0013091900000000, -0.0000078400000000, -0.0002706800000000 ] - [ -0.0011506300000000, 0.0000091200000000, -0.0002036600000000 ] - [ -0.0013091900000000, 0.0000078400000000, -0.0002706800000000 ] - [ -0.0011506300000000, -0.0000091200000000, -0.0002036600000000 ] - [ 0.0038005300000000, -0.0016681600000000, -0.0005214000000000 ] - [ 0.0008727200000000, 0.0000654100000000, 0.0003847400000000 ] - [ 0.0003413800000000, 0.0000000000000000, 0.0004005300000000 ] - [ 0.0006052400000000, 0.0000000000000000, 0.0004037300000000 ] - [ 0.0038005300000000, 0.0016681600000000, -0.0005214000000000 ] - [ 0.0008727200000000, -0.0000654100000000, 0.0003847400000000 ] - [ 0.0015566600000000, -0.0009986700000000, 0.0016732700000000 ] - [ 0.0013971200000000, 0.0000167900000000, -0.0002768700000000 ] - [ 0.0010810300000000, 0.0000000000000000, -0.0002429700000000 ] - [ 0.0013508000000000, 0.0000000000000000, -0.0002470900000000 ] - [ 0.0015566600000000, 0.0009986700000000, 0.0016732700000000 ] - [ 0.0013971200000000, -0.0000167900000000, -0.0002768700000000 ]- atom: 91 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000190800000000, -0.0000054500000000, 0.0002620200000000 ] - [ 0.0002503700000000, 0.0000039200000000, 0.0001917300000000 ] - [ 0.0000562000000000, 0.0000000000000000, 0.0002368200000000 ] - [ 0.0002370900000000, 0.0000000000000000, 0.0001933100000000 ] - [ 0.0000190800000000, 0.0000054500000000, 0.0002620200000000 ] - [ 0.0002503700000000, -0.0000039200000000, 0.0001917300000000 ] - [ -0.0056732800000000, -0.0012270000000000, -0.0017487700000000 ] - [ -0.0033372200000000, -0.0000118600000000, -0.0012508900000000 ] - [ -0.0039001600000000, 0.0000000000000000, -0.0012744200000000 ] - [ -0.0036320700000000, 0.0000000000000000, -0.0012014500000000 ] - [ -0.0056732800000000, 0.0012270000000000, -0.0017487700000000 ] - [ -0.0033372200000000, 0.0000118600000000, -0.0012508900000000 ] - [ 0.0001856500000000, 0.0000777500000000, -0.0000564900000000 ] - [ 0.0001743100000000, -0.0000399900000000, -0.0003088500000000 ] - [ 0.0001675800000000, 0.0000000000000000, -0.0001240600000000 ] - [ 0.0001456900000000, 0.0000000000000000, -0.0002694800000000 ] - [ 0.0001856500000000, -0.0000777500000000, -0.0000564900000000 ] - [ 0.0001743100000000, 0.0000399900000000, -0.0003088500000000 ] - [ 0.0004884000000000, 0.0000000000000000, 0.0007950200000000 ] - [ 0.0002507900000000, 0.0000000000000000, 0.0000669400000000 ] - [ -0.0001177600000000, -0.0002512600000000, 0.0003610000000000 ] - [ 0.0000034700000000, 0.0001272200000000, 0.0001821700000000 ] - [ -0.0001177600000000, 0.0002512600000000, 0.0003610000000000 ] - [ 0.0000034700000000, -0.0001272200000000, 0.0001821700000000 ] - [ 0.0016005000000000, 0.0000000000000000, 0.0024254000000000 ] - [ 0.0040445000000000, 0.0000000000000000, 0.0012708800000000 ] - [ 0.0034902300000000, -0.0002019500000000, 0.0009664400000000 ] - [ 0.0039364100000000, 0.0000358000000000, 0.0012630200000000 ] - [ 0.0034902300000000, 0.0002019500000000, 0.0009664400000000 ] - [ 0.0039364100000000, -0.0000358000000000, 0.0012630200000000 ] - [ -0.0038699700000000, 0.0000049400000000, 0.0014061200000000 ] - [ -0.0036558600000000, 0.0000114900000000, 0.0011815200000000 ] - [ -0.0038540500000000, 0.0000000000000000, 0.0012790000000000 ] - [ -0.0036740700000000, 0.0000000000000000, 0.0011957900000000 ] - [ -0.0038699700000000, -0.0000049400000000, 0.0014061200000000 ] - [ -0.0036558600000000, -0.0000114900000000, 0.0011815200000000 ] - [ 0.0037154000000000, 0.0000000000000000, -0.0012495500000000 ] - [ 0.0038387200000000, 0.0000000000000000, -0.0011811500000000 ] - [ 0.0037193800000000, 0.0000185200000000, -0.0012359900000000 ] - [ 0.0038277500000000, -0.0000080000000000, -0.0011848800000000 ] - [ 0.0037193800000000, -0.0000185200000000, -0.0012359900000000 ] - [ 0.0038277500000000, 0.0000080000000000, -0.0011848800000000 ] - [ -0.0010172500000000, 0.0000000000000000, 0.0000069400000000 ] - [ 0.0000315700000000, 0.0000000000000000, -0.0002069500000000 ] - [ -0.0005030300000000, 0.0000233800000000, -0.0002336700000000 ] - [ -0.0000033700000000, -0.0000166100000000, -0.0002104900000000 ] - [ -0.0005030300000000, -0.0000233800000000, -0.0002336700000000 ] - [ -0.0000033700000000, 0.0000166100000000, -0.0002104900000000 ] - [ 0.0150985800000000, 0.0000000000000000, 0.0084075300000000 ] - [ 0.0155626300000000, 0.0000000000000000, 0.0080745200000000 ] - [ 0.0152674500000000, 0.0000480700000000, 0.0082191500000000 ] - [ 0.0154834900000000, -0.0000011400000000, 0.0081110900000000 ] - [ 0.0152674500000000, -0.0000480700000000, 0.0082191500000000 ] - [ 0.0154834900000000, 0.0000011400000000, 0.0081110900000000 ] - [ -0.0153751400000000, 0.0000198300000000, 0.0077687800000000 ] - [ -0.0152961100000000, -0.0000267200000000, 0.0082565200000000 ] - [ -0.0154450800000000, 0.0000000000000000, 0.0081296600000000 ] - [ -0.0152919700000000, 0.0000000000000000, 0.0081787600000000 ] - [ -0.0153751400000000, -0.0000198300000000, 0.0077687800000000 ] - [ -0.0152961100000000, 0.0000267200000000, 0.0082565200000000 ] - [ -0.0192315700000000, 0.0082775600000000, -0.0104136400000000 ] - [ -0.0151466300000000, -0.0000022600000000, -0.0082027500000000 ] - [ -0.0156451500000000, 0.0000000000000000, -0.0082485100000000 ] - [ -0.0152642700000000, 0.0000000000000000, -0.0081573700000000 ] - [ -0.0192315700000000, -0.0082775600000000, -0.0104136400000000 ] - [ -0.0151466300000000, 0.0000022600000000, -0.0082027500000000 ] - [ 0.0153339300000000, 0.0000000000000000, -0.0082386900000000 ] - [ 0.0154110800000000, 0.0000000000000000, -0.0081167800000000 ] - [ 0.0153219400000000, -0.0000121800000000, -0.0081650300000000 ] - [ 0.0154142600000000, 0.0000076700000000, -0.0081391600000000 ] - [ 0.0153219400000000, 0.0000121800000000, -0.0081650300000000 ] - [ 0.0154142600000000, -0.0000076700000000, -0.0081391600000000 ] - [ 0.0006997500000000, -0.0000739800000000, -0.0002984600000000 ] - [ 0.0003459800000000, 0.0000066200000000, -0.0004612200000000 ] - [ 0.0005984100000000, 0.0000000000000000, -0.0004046800000000 ] - [ 0.0003690100000000, 0.0000000000000000, -0.0004413700000000 ] - [ 0.0006997500000000, 0.0000739800000000, -0.0002984600000000 ] - [ 0.0003459800000000, -0.0000066200000000, -0.0004612200000000 ] - [ -0.0011568000000000, 0.0000000000000000, 0.0001117600000000 ] - [ -0.0013095700000000, 0.0000000000000000, 0.0003071800000000 ] - [ -0.0011763200000000, -0.0000154100000000, 0.0001727400000000 ] - [ -0.0012950900000000, 0.0000049300000000, 0.0002836700000000 ] - [ -0.0011763200000000, 0.0000154100000000, 0.0001727400000000 ] - [ -0.0012950900000000, -0.0000049300000000, 0.0002836700000000 ] - [ -0.0007185000000000, 0.0000000000000000, -0.0010102200000000 ] - [ -0.0007918200000000, 0.0000000000000000, -0.0002184700000000 ] - [ -0.0005151200000000, -0.0002441700000000, -0.0006828600000000 ] - [ -0.0006366600000000, 0.0000922100000000, -0.0002670900000000 ] - [ -0.0005151200000000, 0.0002441700000000, -0.0006828600000000 ] - [ -0.0006366600000000, -0.0000922100000000, -0.0002670900000000 ] - [ 0.0369996900000000, 0.0000000000000000, 0.0141954500000000 ] - [ 0.0143799900000000, 0.0000000000000000, 0.0085438000000000 ] - [ 0.0147113900000000, -0.0001877200000000, 0.0084257700000000 ] - [ 0.0144366600000000, -0.0000143200000000, 0.0085483300000000 ] - [ 0.0147113900000000, 0.0001877200000000, 0.0084257700000000 ] - [ 0.0144366600000000, 0.0000143200000000, 0.0085483300000000 ] - [ -0.0145962200000000, 0.0000231200000000, 0.0085621800000000 ] - [ -0.0146355600000000, -0.0000137300000000, 0.0085662100000000 ] - [ -0.0145840100000000, 0.0000000000000000, 0.0085583200000000 ] - [ -0.0146304700000000, 0.0000000000000000, 0.0085718600000000 ] - [ -0.0145962200000000, -0.0000231200000000, 0.0085621800000000 ] - [ -0.0146355600000000, 0.0000137300000000, 0.0085662100000000 ] - [ 0.0009014900000000, -0.0004878300000000, 0.0009774100000000 ] - [ 0.0010399800000000, 0.0000436700000000, 0.0000813700000000 ] - [ 0.0013072600000000, 0.0000000000000000, 0.0002768000000000 ] - [ 0.0011328200000000, 0.0000000000000000, 0.0002073600000000 ] - [ 0.0009014900000000, 0.0004878300000000, 0.0009774100000000 ] - [ 0.0010399800000000, -0.0000436700000000, 0.0000813700000000 ] - [ 0.0145382900000000, 0.0000000000000000, -0.0084291800000000 ] - [ 0.0145387900000000, 0.0000000000000000, -0.0086820600000000 ] - [ 0.0145520900000000, -0.0001161200000000, -0.0084701200000000 ] - [ 0.0145526000000000, 0.0000574400000000, -0.0086387500000000 ] - [ 0.0145520900000000, 0.0001161200000000, -0.0084701200000000 ] - [ 0.0145526000000000, -0.0000574400000000, -0.0086387500000000 ] - [ -0.0142074600000000, -0.0001184100000000, -0.0086898800000000 ] - [ -0.0147622500000000, 0.0000193600000000, -0.0085647600000000 ] - [ -0.0144406700000000, 0.0000000000000000, -0.0085488800000000 ] - [ -0.0147259600000000, 0.0000000000000000, -0.0085795400000000 ] - [ -0.0142074600000000, 0.0001184100000000, -0.0086898800000000 ] - [ -0.0147622500000000, -0.0000193600000000, -0.0085647600000000 ] - [ -0.0003357700000000, 0.0000000000000000, 0.0004008900000000 ] - [ -0.0005833000000000, 0.0000000000000000, 0.0004028500000000 ] - [ -0.0003789300000000, 0.0000081100000000, 0.0003891500000000 ] - [ -0.0005689300000000, -0.0000016300000000, 0.0004094100000000 ] - [ -0.0003789300000000, -0.0000081100000000, 0.0003891500000000 ] - [ -0.0005689300000000, 0.0000016300000000, 0.0004094100000000 ] - [ -0.0011743200000000, 0.0000000000000000, -0.0000013500000000 ] - [ -0.0013551300000000, 0.0000000000000000, -0.0003236700000000 ] - [ -0.0011613200000000, 0.0000080300000000, -0.0002025500000000 ] - [ -0.0013197500000000, -0.0000088800000000, -0.0002697900000000 ] - [ -0.0011613200000000, -0.0000080300000000, -0.0002025500000000 ] - [ -0.0013197500000000, 0.0000088800000000, -0.0002697900000000 ] - [ -0.0028631200000000, 0.0016812500000000, 0.0013572500000000 ] - [ 0.0000935800000000, -0.0000648800000000, 0.0004404500000000 ] - [ 0.0006249800000000, 0.0000000000000000, 0.0004236600000000 ] - [ 0.0003591700000000, 0.0000000000000000, 0.0004213700000000 ] - [ -0.0028631200000000, -0.0016812500000000, 0.0013572500000000 ] - [ 0.0000935800000000, 0.0000648800000000, 0.0004404500000000 ] - [ 0.0009185600000000, 0.0009993900000000, -0.0021500500000000 ] - [ 0.0010747500000000, -0.0000166000000000, -0.0001972100000000 ] - [ 0.0013906200000000, 0.0000000000000000, -0.0002277600000000 ] - [ 0.0011207900000000, 0.0000000000000000, -0.0002266100000000 ] - [ 0.0009185600000000, -0.0009993900000000, -0.0021500500000000 ] - [ 0.0010747500000000, 0.0000166000000000, -0.0001972100000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001806400000000, 0.0000583300000000, 0.0001018800000000 ] - [ 0.0001550800000000, 0.0000185800000000, 0.0002020700000000 ] - [ 0.0001531800000000, -0.0001068700000000, 0.0002109000000000 ] - [ 0.0001529100000000, -0.0000364700000000, 0.0002110700000000 ] - [ 0.0001256700000000, 0.0000580200000000, 0.0003201500000000 ] - [ 0.0001507500000000, 0.0000184400000000, 0.0002201900000000 ] - [ -0.0026041900000000, 0.0020633300000000, -0.0008564600000000 ] - [ -0.0033973600000000, 0.0000959600000000, -0.0013028100000000 ] - [ -0.0037731800000000, -0.0005813400000000, -0.0012164800000000 ] - [ -0.0037717900000000, -0.0001442600000000, -0.0012159700000000 ] - [ -0.0048734800000000, 0.0020089700000000, -0.0015462600000000 ] - [ -0.0041472500000000, 0.0000955500000000, -0.0011291500000000 ] - [ 0.0000995200000000, 0.0000682800000000, -0.0002677600000000 ] - [ 0.0001796400000000, 0.0000512800000000, -0.0002558900000000 ] - [ 0.0001528500000000, -0.0001373300000000, -0.0002115300000000 ] - [ 0.0001530100000000, -0.0001018100000000, -0.0002112400000000 ] - [ 0.0002063100000000, 0.0000677400000000, -0.0001548900000000 ] - [ 0.0001262200000000, 0.0000509100000000, -0.0001663200000000 ] - [ -0.0001547800000000, 0.0010609600000000, 0.0002101700000000 ] - [ -0.0001526400000000, 0.0002807000000000, 0.0002110600000000 ] - [ 0.0001323500000000, -0.0005146700000000, 0.0003558600000000 ] - [ -0.0002674400000000, -0.0001395200000000, 0.0002283300000000 ] - [ -0.0004409700000000, -0.0005179800000000, 0.0000648500000000 ] - [ -0.0000387400000000, -0.0001397200000000, 0.0001941400000000 ] - [ 0.0037759200000000, 0.0011141000000000, 0.0012131400000000 ] - [ 0.0037718200000000, 0.0000869900000000, 0.0012156700000000 ] - [ 0.0038852000000000, -0.0004016300000000, 0.0008228000000000 ] - [ 0.0037152600000000, -0.0000433500000000, 0.0012000000000000 ] - [ 0.0036602300000000, -0.0004033100000000, 0.0016090100000000 ] - [ 0.0038278500000000, -0.0000434200000000, 0.0012314900000000 ] - [ -0.0037107000000000, 0.0000934800000000, 0.0015708000000000 ] - [ -0.0037805100000000, 0.0000223400000000, 0.0012365300000000 ] - [ -0.0037717900000000, -0.0001469900000000, 0.0012159300000000 ] - [ -0.0037719200000000, -0.0000443500000000, 0.0012158300000000 ] - [ -0.0038334500000000, 0.0000930600000000, 0.0008599200000000 ] - [ -0.0037633100000000, 0.0000222700000000, 0.0011951200000000 ] - [ 0.0037720500000000, 0.0000999900000000, -0.0012161200000000 ] - [ 0.0037718100000000, 0.0000414800000000, -0.0012160000000000 ] - [ 0.0037496100000000, -0.0000486900000000, -0.0011939400000000 ] - [ 0.0037919100000000, -0.0000202500000000, -0.0011960400000000 ] - [ 0.0037943600000000, -0.0000489300000000, -0.0012381600000000 ] - [ 0.0037518500000000, -0.0000203300000000, -0.0012358700000000 ] - [ -0.0001530300000000, 0.0011994300000000, -0.0002064400000000 ] - [ -0.0001531500000000, 0.0001137100000000, -0.0002111800000000 ] - [ -0.0003782400000000, -0.0004213600000000, 0.0001230500000000 ] - [ -0.0001226400000000, -0.0000567400000000, -0.0001936700000000 ] - [ 0.0000733100000000, -0.0004230000000000, -0.0005441700000000 ] - [ -0.0001835500000000, -0.0000568500000000, -0.0002286400000000 ] - [ 0.0153560100000000, 0.0005179300000000, 0.0081556900000000 ] - [ 0.0153560300000000, 0.0000429000000000, 0.0081553900000000 ] - [ 0.0153434300000000, -0.0002658600000000, 0.0080654300000000 ] - [ 0.0154559400000000, -0.0000182800000000, 0.0081174600000000 ] - [ 0.0153693000000000, -0.0002664200000000, 0.0082453300000000 ] - [ 0.0152561500000000, -0.0000184300000000, 0.0081936600000000 ] - [ -0.0154864800000000, 0.0000546500000000, 0.0084694300000000 ] - [ -0.0153545300000000, 0.0000799800000000, 0.0082684200000000 ] - [ -0.0153574000000000, -0.0000953900000000, 0.0081564800000000 ] - [ -0.0153573600000000, -0.0001565200000000, 0.0081558900000000 ] - [ -0.0152274700000000, 0.0000543700000000, 0.0078418000000000 ] - [ -0.0153604800000000, 0.0000796400000000, 0.0080420100000000 ] - [ -0.0207550400000000, 0.0123313200000000, -0.0110895700000000 ] - [ -0.0154598300000000, 0.0000342000000000, -0.0081249800000000 ] - [ -0.0153511600000000, -0.0015530600000000, -0.0081535400000000 ] - [ -0.0153564400000000, -0.0000718300000000, -0.0081553300000000 ] - [ -0.0104022000000000, 0.0116350000000000, -0.0054521700000000 ] - [ -0.0152527300000000, 0.0000342600000000, -0.0081859600000000 ] - [ 0.0153576200000000, 0.0000470900000000, -0.0081551000000000 ] - [ 0.0153574400000000, 0.0000284200000000, -0.0081556900000000 ] - [ 0.0154003600000000, -0.0000250800000000, -0.0081903900000000 ] - [ 0.0153668600000000, -0.0000160000000000, -0.0081706500000000 ] - [ 0.0153149000000000, -0.0000254500000000, -0.0081203100000000 ] - [ 0.0153479900000000, -0.0000161200000000, -0.0081404800000000 ] - [ 0.0005927700000000, -0.0000826100000000, -0.0005630000000000 ] - [ 0.0004602100000000, -0.0000244300000000, -0.0004508600000000 ] - [ 0.0004843800000000, 0.0001397200000000, -0.0004114400000000 ] - [ 0.0004845300000000, 0.0000510200000000, -0.0004114000000000 ] - [ 0.0003756900000000, -0.0000816800000000, -0.0002589700000000 ] - [ 0.0005091000000000, -0.0000243800000000, -0.0003718800000000 ] - [ -0.0012344300000000, -0.0001156900000000, 0.0002379800000000 ] - [ -0.0012343300000000, -0.0000283100000000, 0.0002381000000000 ] - [ -0.0011978500000000, 0.0000682900000000, 0.0003495100000000 ] - [ -0.0012485700000000, 0.0000139000000000, 0.0002718000000000 ] - [ -0.0012712000000000, 0.0000683900000000, 0.0001265900000000 ] - [ -0.0012205100000000, 0.0000138300000000, 0.0002031100000000 ] - [ -0.0004850300000000, -0.0004053000000000, -0.0004121900000000 ] - [ -0.0004833100000000, -0.0001990800000000, -0.0004122800000000 ] - [ -0.0003442200000000, 0.0002861700000000, -0.0001661400000000 ] - [ -0.0006426700000000, 0.0001196100000000, -0.0002744700000000 ] - [ -0.0006240500000000, 0.0002852700000000, -0.0006557100000000 ] - [ -0.0003255600000000, 0.0001199500000000, -0.0005496100000000 ] - [ 0.0150112700000000, -0.0425561200000000, 0.0087923200000000 ] - [ 0.0146032500000000, -0.0001541500000000, 0.0085702500000000 ] - [ 0.0144236700000000, 0.0042608300000000, 0.0084990700000000 ] - [ 0.0145889500000000, 0.0000759100000000, 0.0085594000000000 ] - [ 0.0147866600000000, 0.0042031500000000, 0.0086434700000000 ] - [ 0.0146178800000000, 0.0000759500000000, 0.0085812800000000 ] - [ -0.0146261400000000, -0.0000401600000000, 0.0085476700000000 ] - [ -0.0145893800000000, -0.0000254400000000, 0.0085665200000000 ] - [ -0.0146033600000000, 0.0000820500000000, 0.0085703300000000 ] - [ -0.0146030500000000, 0.0000517300000000, 0.0085703600000000 ] - [ -0.0145801100000000, -0.0000399500000000, 0.0085928800000000 ] - [ -0.0146169200000000, -0.0000252500000000, 0.0085742900000000 ] - [ 0.0018268600000000, 0.0000393800000000, -0.0003914300000000 ] - [ 0.0010998400000000, -0.0000842200000000, 0.0000716100000000 ] - [ 0.0012349300000000, 0.0002662700000000, 0.0002366700000000 ] - [ 0.0012347500000000, 0.0001573100000000, 0.0002372800000000 ] - [ 0.0006435400000000, 0.0000404300000000, 0.0008650200000000 ] - [ 0.0013701000000000, -0.0000838400000000, 0.0004042700000000 ] - [ 0.0146031000000000, -0.0002537800000000, -0.0085705300000000 ] - [ 0.0146034600000000, -0.0002538000000000, -0.0085701000000000 ] - [ 0.0146605700000000, 0.0001431400000000, -0.0086382100000000 ] - [ 0.0144865500000000, 0.0001432000000000, -0.0086456300000000 ] - [ 0.0145458400000000, 0.0001434700000000, -0.0085029300000000 ] - [ 0.0147199200000000, 0.0001434900000000, -0.0084950000000000 ] - [ -0.0144852800000000, 0.0000856700000000, -0.0078175700000000 ] - [ -0.0146221300000000, -0.0000462300000000, -0.0085356100000000 ] - [ -0.0146033100000000, 0.0003666700000000, -0.0085697900000000 ] - [ -0.0146029100000000, 0.0000956900000000, -0.0085702000000000 ] - [ -0.0147216900000000, 0.0000859400000000, -0.0093197500000000 ] - [ -0.0145837100000000, -0.0000459000000000, -0.0086050100000000 ] - [ -0.0004845200000000, -0.0001242500000000, 0.0004112700000000 ] - [ -0.0004843300000000, -0.0000232100000000, 0.0004111500000000 ] - [ -0.0004910400000000, 0.0000606200000000, 0.0003831200000000 ] - [ -0.0004874600000000, 0.0000114600000000, 0.0004139900000000 ] - [ -0.0004785700000000, 0.0000608400000000, 0.0004393200000000 ] - [ -0.0004812800000000, 0.0000114200000000, 0.0004085700000000 ] - [ -0.0012344600000000, -0.0000865600000000, -0.0002384800000000 ] - [ -0.0012343500000000, -0.0000301100000000, -0.0002382600000000 ] - [ -0.0012722500000000, 0.0000466200000000, -0.0001445200000000 ] - [ -0.0012161700000000, 0.0000150300000000, -0.0002031400000000 ] - [ -0.0011970500000000, 0.0000467200000000, -0.0003308300000000 ] - [ -0.0012524500000000, 0.0000149700000000, -0.0002723400000000 ] - [ -0.0031675900000000, 0.0013549300000000, 0.0010080700000000 ] - [ 0.0007304000000000, -0.0000508900000000, 0.0003975900000000 ] - [ 0.0004829700000000, 0.0004979200000000, 0.0004116400000000 ] - [ 0.0004850100000000, 0.0000940300000000, 0.0004115100000000 ] - [ 0.0041076900000000, 0.0013473600000000, -0.0001831300000000 ] - [ 0.0002396700000000, -0.0000506600000000, 0.0004254100000000 ] - [ -0.0003894400000000, 0.0012819400000000, -0.0033463200000000 ] - [ 0.0012662400000000, -0.0000313400000000, -0.0002614300000000 ] - [ 0.0012337500000000, 0.0004940300000000, -0.0002383800000000 ] - [ 0.0012346200000000, 0.0000636200000000, -0.0002377400000000 ] - [ 0.0028434500000000, 0.0012745600000000, 0.0028494800000000 ] - [ 0.0012029400000000, -0.0000312600000000, -0.0002144200000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002304600000000, -0.0000371700000000, -0.0000495500000000 ] - [ 0.0001397600000000, -0.0000121900000000, 0.0001646400000000 ] - [ 0.0002157300000000, 0.0000000000000000, 0.0000900700000000 ] - [ 0.0001400900000000, 0.0000000000000000, 0.0001733400000000 ] - [ 0.0002304600000000, 0.0000371700000000, -0.0000495500000000 ] - [ 0.0001397600000000, 0.0000121900000000, 0.0001646400000000 ] - [ -0.0030647700000000, 0.0005822500000000, -0.0004487500000000 ] - [ -0.0037549100000000, -0.0000261900000000, -0.0011232000000000 ] - [ -0.0037385200000000, 0.0000000000000000, -0.0010209800000000 ] - [ -0.0037801600000000, 0.0000000000000000, -0.0011472400000000 ] - [ -0.0030647700000000, -0.0005822500000000, -0.0004487500000000 ] - [ -0.0037549100000000, 0.0000261900000000, -0.0011232000000000 ] - [ 0.0000184400000000, -0.0000722200000000, -0.0003614100000000 ] - [ 0.0002193000000000, -0.0000508100000000, -0.0002655300000000 ] - [ 0.0000722600000000, 0.0000000000000000, -0.0002923400000000 ] - [ 0.0001826300000000, 0.0000000000000000, -0.0002307800000000 ] - [ 0.0000184400000000, 0.0000722200000000, -0.0003614100000000 ] - [ 0.0002193000000000, 0.0000508100000000, -0.0002655300000000 ] - [ -0.0007468300000000, 0.0000000000000000, 0.0004050400000000 ] - [ 0.0000090000000000, 0.0000000000000000, 0.0003371700000000 ] - [ -0.0003069500000000, 0.0001306300000000, 0.0004039200000000 ] - [ -0.0000676300000000, 0.0000417000000000, 0.0003045600000000 ] - [ -0.0003069500000000, -0.0001306300000000, 0.0004039200000000 ] - [ -0.0000676300000000, -0.0000417000000000, 0.0003045600000000 ] - [ 0.0025400500000000, 0.0000000000000000, 0.0031671400000000 ] - [ 0.0036336000000000, 0.0000000000000000, 0.0012755300000000 ] - [ 0.0039205100000000, -0.0001429700000000, 0.0013690500000000 ] - [ 0.0037017600000000, -0.0000161200000000, 0.0012583200000000 ] - [ 0.0039205100000000, 0.0001429700000000, 0.0013690500000000 ] - [ 0.0037017600000000, 0.0000161200000000, 0.0012583200000000 ] - [ -0.0038526600000000, 0.0000179700000000, 0.0008456500000000 ] - [ -0.0037376100000000, 0.0000084600000000, 0.0011477400000000 ] - [ -0.0037808500000000, 0.0000000000000000, 0.0010943400000000 ] - [ -0.0037495100000000, 0.0000000000000000, 0.0011571400000000 ] - [ -0.0038526600000000, -0.0000179700000000, 0.0008456500000000 ] - [ -0.0037376100000000, -0.0000084600000000, 0.0011477400000000 ] - [ 0.0038183500000000, 0.0000000000000000, -0.0014876800000000 ] - [ 0.0037519400000000, 0.0000000000000000, -0.0013169600000000 ] - [ 0.0038049700000000, 0.0000394500000000, -0.0014058300000000 ] - [ 0.0037589300000000, -0.0000004700000000, -0.0013003400000000 ] - [ 0.0038049700000000, -0.0000394500000000, -0.0014058300000000 ] - [ 0.0037589300000000, 0.0000004700000000, -0.0013003400000000 ] - [ -0.0004751600000000, 0.0000000000000000, 0.0027535800000000 ] - [ -0.0001967500000000, 0.0000000000000000, -0.0001847400000000 ] - [ -0.0000139100000000, 0.0002613400000000, -0.0001701400000000 ] - [ -0.0001895900000000, 0.0000058300000000, -0.0001888700000000 ] - [ -0.0000139100000000, -0.0002613400000000, -0.0001701400000000 ] - [ -0.0001895900000000, -0.0000058300000000, -0.0001888700000000 ] - [ 0.0151801600000000, 0.0000000000000000, 0.0077063500000000 ] - [ 0.0154373500000000, 0.0000000000000000, 0.0081009100000000 ] - [ 0.0151321100000000, -0.0003094300000000, 0.0080438100000000 ] - [ 0.0153531200000000, -0.0000133100000000, 0.0081405700000000 ] - [ 0.0151321100000000, 0.0003094300000000, 0.0080438100000000 ] - [ 0.0153531200000000, 0.0000133100000000, 0.0081405700000000 ] - [ -0.0152371800000000, 0.0000353500000000, 0.0080816600000000 ] - [ -0.0154471100000000, 0.0000280000000000, 0.0081659400000000 ] - [ -0.0153625000000000, 0.0000000000000000, 0.0081755100000000 ] - [ -0.0154296200000000, 0.0000000000000000, 0.0081836600000000 ] - [ -0.0152371800000000, -0.0000353500000000, 0.0080816600000000 ] - [ -0.0154471100000000, -0.0000280000000000, 0.0081659400000000 ] - [ -0.0132655800000000, -0.0041359800000000, -0.0073112100000000 ] - [ -0.0154083800000000, -0.0000053900000000, -0.0080771900000000 ] - [ -0.0152701900000000, 0.0000000000000000, -0.0080030700000000 ] - [ -0.0153783500000000, 0.0000000000000000, -0.0081009400000000 ] - [ -0.0132655800000000, 0.0041359800000000, -0.0073112100000000 ] - [ -0.0154083800000000, 0.0000053900000000, -0.0080771900000000 ] - [ 0.0153648100000000, 0.0000000000000000, -0.0083766100000000 ] - [ 0.0153543800000000, 0.0000000000000000, -0.0082387800000000 ] - [ 0.0153505500000000, -0.0000028100000000, -0.0082571700000000 ] - [ 0.0153497200000000, -0.0000005800000000, -0.0082155400000000 ] - [ 0.0153505500000000, 0.0000028100000000, -0.0082571700000000 ] - [ 0.0153497200000000, 0.0000005800000000, -0.0082155400000000 ] - [ 0.0003186800000000, -0.0001874900000000, -0.0001345700000000 ] - [ 0.0005380300000000, -0.0000051100000000, -0.0003743900000000 ] - [ 0.0004555700000000, 0.0000000000000000, -0.0003372200000000 ] - [ 0.0005411000000000, 0.0000000000000000, -0.0003760500000000 ] - [ 0.0003186800000000, 0.0001874900000000, -0.0001345700000000 ] - [ 0.0005380300000000, 0.0000051100000000, -0.0003743900000000 ] - [ -0.0011851100000000, 0.0000000000000000, 0.0005101300000000 ] - [ -0.0012492300000000, 0.0000000000000000, 0.0003040300000000 ] - [ -0.0011719500000000, 0.0000704900000000, 0.0004707200000000 ] - [ -0.0012379400000000, 0.0000088000000000, 0.0002753300000000 ] - [ -0.0011719500000000, -0.0000704900000000, 0.0004707200000000 ] - [ -0.0012379400000000, -0.0000088000000000, 0.0002753300000000 ] - [ -0.0000506900000000, 0.0000000000000000, -0.0002294500000000 ] - [ -0.0007326500000000, 0.0000000000000000, -0.0004058300000000 ] - [ -0.0003337100000000, 0.0001363800000000, -0.0003792100000000 ] - [ -0.0005039800000000, 0.0000167800000000, -0.0004424900000000 ] - [ -0.0003337100000000, -0.0001363800000000, -0.0003792100000000 ] - [ -0.0005039800000000, -0.0000167800000000, -0.0004424900000000 ] - [ 0.0089888500000000, 0.0000000000000000, -0.0046343800000000 ] - [ 0.0146305000000000, 0.0000000000000000, 0.0085105400000000 ] - [ 0.0147448900000000, 0.0000689900000000, 0.0082237800000000 ] - [ 0.0146259900000000, 0.0000109400000000, 0.0085241200000000 ] - [ 0.0147448900000000, -0.0000689900000000, 0.0082237800000000 ] - [ 0.0146259900000000, -0.0000109400000000, 0.0085241200000000 ] - [ -0.0146123900000000, 0.0000228000000000, 0.0086868600000000 ] - [ -0.0146079000000000, 0.0000039100000000, 0.0086688700000000 ] - [ -0.0146160500000000, 0.0000000000000000, 0.0086465000000000 ] - [ -0.0146020100000000, 0.0000000000000000, 0.0086505700000000 ] - [ -0.0146123900000000, -0.0000228000000000, 0.0086868600000000 ] - [ -0.0146079000000000, -0.0000039100000000, 0.0086688700000000 ] - [ 0.0008191900000000, -0.0003096500000000, 0.0002087100000000 ] - [ 0.0013190400000000, -0.0000252300000000, 0.0001562600000000 ] - [ 0.0011930600000000, 0.0000000000000000, 0.0001426600000000 ] - [ 0.0012910000000000, 0.0000000000000000, 0.0001877600000000 ] - [ 0.0008191900000000, 0.0003096500000000, 0.0002087100000000 ] - [ 0.0013190400000000, 0.0000252300000000, 0.0001562600000000 ] - [ 0.0144920600000000, 0.0000000000000000, -0.0084991400000000 ] - [ 0.0147451700000000, 0.0000000000000000, -0.0084989600000000 ] - [ 0.0145352100000000, -0.0000753800000000, -0.0085202800000000 ] - [ 0.0147041400000000, -0.0000677000000000, -0.0085202300000000 ] - [ 0.0145352100000000, 0.0000753800000000, -0.0085202800000000 ] - [ 0.0147041400000000, 0.0000677000000000, -0.0085202300000000 ] - [ -0.0144847800000000, 0.0007562400000000, -0.0079845200000000 ] - [ -0.0146090800000000, 0.0000347800000000, -0.0085749100000000 ] - [ -0.0146257500000000, 0.0000000000000000, -0.0085921100000000 ] - [ -0.0145941200000000, 0.0000000000000000, -0.0085784000000000 ] - [ -0.0144847800000000, -0.0007562400000000, -0.0079845200000000 ] - [ -0.0146090800000000, -0.0000347800000000, -0.0085749100000000 ] - [ -0.0004661000000000, 0.0000000000000000, 0.0006622600000000 ] - [ -0.0004654700000000, 0.0000000000000000, 0.0004873900000000 ] - [ -0.0004829700000000, -0.0000213300000000, 0.0005738300000000 ] - [ -0.0004665200000000, 0.0000005600000000, 0.0004760300000000 ] - [ -0.0004829700000000, 0.0000213300000000, 0.0005738300000000 ] - [ -0.0004665200000000, -0.0000005600000000, 0.0004760300000000 ] - [ -0.0013654100000000, 0.0000000000000000, 0.0001506100000000 ] - [ -0.0011621000000000, 0.0000000000000000, -0.0001219900000000 ] - [ -0.0013139900000000, 0.0000444000000000, -0.0001173800000000 ] - [ -0.0011886900000000, 0.0000110200000000, -0.0001661400000000 ] - [ -0.0013139900000000, -0.0000444000000000, -0.0001173800000000 ] - [ -0.0011886900000000, -0.0000110200000000, -0.0001661400000000 ] - [ 0.0002910700000000, -0.0000721800000000, -0.0000520800000000 ] - [ 0.0005904000000000, 0.0000156200000000, 0.0002557400000000 ] - [ 0.0004696900000000, 0.0000000000000000, 0.0002686900000000 ] - [ 0.0005202600000000, 0.0000000000000000, 0.0003126600000000 ] - [ 0.0002910700000000, 0.0000721800000000, -0.0000520800000000 ] - [ 0.0005904000000000, -0.0000156200000000, 0.0002557400000000 ] - [ 0.0024637700000000, -0.0012404200000000, 0.0022342100000000 ] - [ 0.0012046800000000, -0.0000054600000000, -0.0003062000000000 ] - [ 0.0012306800000000, 0.0000000000000000, -0.0003581400000000 ] - [ 0.0012157800000000, 0.0000000000000000, -0.0002881400000000 ] - [ 0.0024637700000000, 0.0012404200000000, 0.0022342100000000 ] - [ 0.0012046800000000, 0.0000054600000000, -0.0003062000000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000759000000000, 0.0000369100000000, 0.0004707600000000 ] - [ 0.0001661400000000, 0.0000121500000000, 0.0002573800000000 ] - [ 0.0000906400000000, 0.0000000000000000, 0.0003317800000000 ] - [ 0.0001658200000000, 0.0000000000000000, 0.0002486300000000 ] - [ 0.0000759000000000, -0.0000369100000000, 0.0004707600000000 ] - [ 0.0001661400000000, -0.0000121500000000, 0.0002573800000000 ] - [ -0.0044704900000000, -0.0005747400000000, -0.0019848200000000 ] - [ -0.0037911600000000, 0.0000259500000000, -0.0013086900000000 ] - [ -0.0038043100000000, 0.0000000000000000, -0.0014098300000000 ] - [ -0.0037650400000000, 0.0000000000000000, -0.0012850200000000 ] - [ -0.0044704900000000, 0.0005747400000000, -0.0019848200000000 ] - [ -0.0037911600000000, -0.0000259500000000, -0.0013086900000000 ] - [ 0.0002869800000000, 0.0000719200000000, -0.0000613400000000 ] - [ 0.0000873400000000, 0.0000504600000000, -0.0001567900000000 ] - [ 0.0002334400000000, 0.0000000000000000, -0.0001301700000000 ] - [ 0.0001237100000000, 0.0000000000000000, -0.0001913600000000 ] - [ 0.0002869800000000, -0.0000719200000000, -0.0000613400000000 ] - [ 0.0000873400000000, -0.0000504600000000, -0.0001567900000000 ] - [ 0.0004400300000000, 0.0000000000000000, 0.0000140200000000 ] - [ -0.0003144900000000, 0.0000000000000000, 0.0000843200000000 ] - [ 0.0000001400000000, -0.0001301200000000, 0.0000163300000000 ] - [ -0.0002382400000000, -0.0000416700000000, 0.0001172900000000 ] - [ 0.0000001400000000, 0.0001301200000000, 0.0000163300000000 ] - [ -0.0002382400000000, 0.0000416700000000, 0.0001172900000000 ] - [ 0.0049300500000000, 0.0000000000000000, -0.0006629900000000 ] - [ 0.0039103900000000, 0.0000000000000000, 0.0011566500000000 ] - [ 0.0036250200000000, 0.0001428100000000, 0.0010653000000000 ] - [ 0.0038424800000000, 0.0000160700000000, 0.0011736800000000 ] - [ 0.0036250200000000, -0.0001428100000000, 0.0010653000000000 ] - [ 0.0038424800000000, -0.0000160700000000, 0.0011736800000000 ] - [ -0.0036914300000000, -0.0000183100000000, 0.0015856700000000 ] - [ -0.0038072100000000, -0.0000085200000000, 0.0012838200000000 ] - [ -0.0037635700000000, 0.0000000000000000, 0.0013367600000000 ] - [ -0.0037951800000000, 0.0000000000000000, 0.0012744100000000 ] - [ -0.0036914300000000, 0.0000183100000000, 0.0015856700000000 ] - [ -0.0038072100000000, 0.0000085200000000, 0.0012838200000000 ] - [ 0.0037256800000000, 0.0000000000000000, -0.0009444500000000 ] - [ 0.0037927000000000, 0.0000000000000000, -0.0011157300000000 ] - [ 0.0037393600000000, -0.0000397700000000, -0.0010267200000000 ] - [ 0.0037857600000000, 0.0000004200000000, -0.0011322100000000 ] - [ 0.0037393600000000, 0.0000397700000000, -0.0010267200000000 ] - [ 0.0037857600000000, -0.0000004200000000, -0.0011322100000000 ] - [ 0.0002118200000000, 0.0000000000000000, -0.0033553500000000 ] - [ -0.0001095400000000, 0.0000000000000000, -0.0002379800000000 ] - [ -0.0002918300000000, -0.0002617400000000, -0.0002540600000000 ] - [ -0.0001166600000000, -0.0000058000000000, -0.0002337600000000 ] - [ -0.0002918300000000, 0.0002617400000000, -0.0002540600000000 ] - [ -0.0001166600000000, 0.0000058000000000, -0.0002337600000000 ] - [ 0.0155340100000000, 0.0000000000000000, 0.0086037200000000 ] - [ 0.0152787500000000, 0.0000000000000000, 0.0082111400000000 ] - [ 0.0155817100000000, 0.0003074300000000, 0.0082681600000000 ] - [ 0.0153622500000000, 0.0000129900000000, 0.0081716900000000 ] - [ 0.0155817100000000, -0.0003074300000000, 0.0082681600000000 ] - [ 0.0153622500000000, -0.0000129900000000, 0.0081716900000000 ] - [ -0.0154818700000000, -0.0000358900000000, 0.0082285400000000 ] - [ -0.0152712000000000, -0.0000278900000000, 0.0081451200000000 ] - [ -0.0153560900000000, 0.0000000000000000, 0.0081363700000000 ] - [ -0.0152887700000000, 0.0000000000000000, 0.0081281800000000 ] - [ -0.0154818700000000, 0.0000358900000000, 0.0082285400000000 ] - [ -0.0152712000000000, 0.0000278900000000, 0.0081451200000000 ] - [ -0.0174595200000000, 0.0041439100000000, -0.0089480600000000 ] - [ -0.0153075300000000, 0.0000054400000000, -0.0082352700000000 ] - [ -0.0154454900000000, 0.0000000000000000, -0.0083099600000000 ] - [ -0.0153377500000000, 0.0000000000000000, -0.0082117400000000 ] - [ -0.0174595200000000, -0.0041439100000000, -0.0089480600000000 ] - [ -0.0153075300000000, -0.0000054400000000, -0.0082352700000000 ] - [ 0.0153541200000000, 0.0000000000000000, -0.0079360600000000 ] - [ 0.0153637100000000, 0.0000000000000000, -0.0080732900000000 ] - [ 0.0153683100000000, 0.0000027600000000, -0.0080548500000000 ] - [ 0.0153685000000000, 0.0000004700000000, -0.0080965200000000 ] - [ 0.0153683100000000, -0.0000027600000000, -0.0080548500000000 ] - [ 0.0153685000000000, -0.0000004700000000, -0.0080965200000000 ] - [ 0.0006512300000000, 0.0001895700000000, -0.0006898700000000 ] - [ 0.0004314100000000, 0.0000051100000000, -0.0004488000000000 ] - [ 0.0005135600000000, 0.0000000000000000, -0.0004855200000000 ] - [ 0.0004285300000000, 0.0000000000000000, -0.0004471600000000 ] - [ 0.0006512300000000, -0.0001895700000000, -0.0006898700000000 ] - [ 0.0004314100000000, -0.0000051100000000, -0.0004488000000000 ] - [ -0.0012837800000000, 0.0000000000000000, -0.0000360800000000 ] - [ -0.0012198200000000, 0.0000000000000000, 0.0001699700000000 ] - [ -0.0012969600000000, -0.0000699600000000, 0.0000036000000000 ] - [ -0.0012315600000000, -0.0000084900000000, 0.0001974900000000 ] - [ -0.0012969600000000, 0.0000699600000000, 0.0000036000000000 ] - [ -0.0012315600000000, 0.0000084900000000, 0.0001974900000000 ] - [ -0.0009156200000000, 0.0000000000000000, -0.0005953800000000 ] - [ -0.0002369600000000, 0.0000000000000000, -0.0004199300000000 ] - [ -0.0006345600000000, -0.0001359600000000, -0.0004463200000000 ] - [ -0.0004643400000000, -0.0000170000000000, -0.0003833500000000 ] - [ -0.0006345600000000, 0.0001359600000000, -0.0004463200000000 ] - [ -0.0004643400000000, 0.0000170000000000, -0.0003833500000000 ] - [ 0.0202326200000000, 0.0000000000000000, 0.0218357400000000 ] - [ 0.0145785400000000, 0.0000000000000000, 0.0086316600000000 ] - [ 0.0144618100000000, -0.0000754900000000, 0.0089187800000000 ] - [ 0.0145830100000000, -0.0000109800000000, 0.0086182500000000 ] - [ 0.0144618100000000, 0.0000754900000000, 0.0089187800000000 ] - [ 0.0145830100000000, 0.0000109800000000, 0.0086182500000000 ] - [ -0.0145968200000000, -0.0000224600000000, 0.0084556200000000 ] - [ -0.0146004700000000, -0.0000038800000000, 0.0084735700000000 ] - [ -0.0145930100000000, 0.0000000000000000, 0.0084958900000000 ] - [ -0.0146062000000000, 0.0000000000000000, 0.0084917500000000 ] - [ -0.0145968200000000, 0.0000224600000000, 0.0084556200000000 ] - [ -0.0146004700000000, 0.0000038800000000, 0.0084735700000000 ] - [ 0.0016497400000000, 0.0003103200000000, 0.0002671700000000 ] - [ 0.0011505500000000, 0.0000252600000000, 0.0003181900000000 ] - [ 0.0012756400000000, 0.0000000000000000, 0.0003305900000000 ] - [ 0.0011785500000000, 0.0000000000000000, 0.0002852900000000 ] - [ 0.0016497400000000, -0.0003103200000000, 0.0002671700000000 ] - [ 0.0011505500000000, -0.0000252600000000, 0.0003181900000000 ] - [ 0.0147168900000000, 0.0000000000000000, -0.0086433800000000 ] - [ 0.0144635700000000, 0.0000000000000000, -0.0086433600000000 ] - [ 0.0146734700000000, 0.0000753700000000, -0.0086222400000000 ] - [ 0.0145045000000000, 0.0000676500000000, -0.0086222600000000 ] - [ 0.0146734700000000, -0.0000753700000000, -0.0086222400000000 ] - [ 0.0145045000000000, -0.0000676500000000, -0.0086222600000000 ] - [ -0.0147229300000000, -0.0007460700000000, -0.0091507200000000 ] - [ -0.0145992100000000, -0.0000346000000000, -0.0085681600000000 ] - [ -0.0145827900000000, 0.0000000000000000, -0.0085513100000000 ] - [ -0.0146140000000000, 0.0000000000000000, -0.0085643200000000 ] - [ -0.0147229300000000, 0.0007460700000000, -0.0091507200000000 ] - [ -0.0145992100000000, 0.0000346000000000, -0.0085681600000000 ] - [ -0.0005030900000000, 0.0000000000000000, 0.0001609300000000 ] - [ -0.0005028900000000, 0.0000000000000000, 0.0003357600000000 ] - [ -0.0004869800000000, 0.0000214800000000, 0.0002488900000000 ] - [ -0.0005022200000000, -0.0000004200000000, 0.0003469600000000 ] - [ -0.0004869800000000, -0.0000214800000000, 0.0002488900000000 ] - [ -0.0005022200000000, 0.0000004200000000, 0.0003469600000000 ] - [ -0.0011042400000000, 0.0000000000000000, -0.0006233800000000 ] - [ -0.0013063600000000, 0.0000000000000000, -0.0003530600000000 ] - [ -0.0011556000000000, -0.0000441800000000, -0.0003567300000000 ] - [ -0.0012800700000000, -0.0000108200000000, -0.0003079500000000 ] - [ -0.0011556000000000, 0.0000441800000000, -0.0003567300000000 ] - [ -0.0012800700000000, 0.0000108200000000, -0.0003079500000000 ] - [ 0.0006924900000000, 0.0000672000000000, 0.0008721000000000 ] - [ 0.0003786800000000, -0.0000155900000000, 0.0005680700000000 ] - [ 0.0005000400000000, 0.0000000000000000, 0.0005546200000000 ] - [ 0.0004490300000000, 0.0000000000000000, 0.0005111000000000 ] - [ 0.0006924900000000, -0.0000672000000000, 0.0008721000000000 ] - [ 0.0003786800000000, 0.0000155900000000, 0.0005680700000000 ] - [ 0.0000001700000000, 0.0012467500000000, -0.0027168200000000 ] - [ 0.0012645300000000, 0.0000054700000000, -0.0001678500000000 ] - [ 0.0012386100000000, 0.0000000000000000, -0.0001134800000000 ] - [ 0.0012532900000000, 0.0000000000000000, -0.0001854400000000 ] - [ 0.0000001700000000, -0.0012467500000000, -0.0027168200000000 ] - [ 0.0012645300000000, -0.0000054700000000, -0.0001678500000000 ]