# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/f5fc5cdf-1532-451b-a67b-ac4736bd4ccc/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 CdI2 / P3m1 (156) / materials id 570127](https://mdr.nims.go.jp/datasets/9f048a1c-40be-4171-99a5-98a72caa3234) ## 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: "P3m1" number: 156 Hall_symbol: "P 3 -2\""supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.222127730000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.111063860000000, 3.656469860000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 54.807591029999998 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.531344090000000 ] mass: 112.411000 - symbol: Cd # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.906105770000000 ] mass: 112.411000 - symbol: Cd # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.781189320000000 ] mass: 112.411000 - symbol: Cd # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.031159450000000 ] mass: 112.411000 - symbol: Cd # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.406420270000000 ] mass: 112.411000 - symbol: Cd # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.156005620000000 ] mass: 112.411000 - symbol: Cd # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.656268800000000 ] mass: 112.411000 - symbol: Cd # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.281528460000000 ] mass: 112.411000 - symbol: I # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.000052900000000 ] mass: 126.904470 - symbol: I # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.687370500000000 ] mass: 126.904470 - symbol: I # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.124898020000000 ] mass: 126.904470 - symbol: I # 12 coordinates: [ 0.666666670000000, 0.333333330000000, 0.250428290000000 ] mass: 126.904470 - symbol: I # 13 coordinates: [ 0.666666670000000, 0.333333330000000, 0.375310180000000 ] mass: 126.904470 - symbol: I # 14 coordinates: [ 0.000000000000000, 0.000000000000000, 0.062260550000000 ] mass: 126.904470 - symbol: I # 15 coordinates: [ 0.333333330000000, 0.666666670000000, 0.812289730000000 ] mass: 126.904470 - symbol: I # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.187099480000000 ] mass: 126.904470 - symbol: I # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.562444740000000 ] mass: 126.904470 - symbol: I # 18 coordinates: [ 0.666666670000000, 0.333333330000000, 0.625157940000000 ] mass: 126.904470 - symbol: I # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.437520390000000 ] mass: 126.904470 - symbol: I # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.937205730000000 ] mass: 126.904470 - symbol: I # 21 coordinates: [ 0.666666670000000, 0.333333330000000, 0.874995730000000 ] mass: 126.904470 - symbol: I # 22 coordinates: [ 0.333333330000000, 0.666666670000000, 0.312632970000000 ] mass: 126.904470 - symbol: I # 23 coordinates: [ 0.666666670000000, 0.333333330000000, 0.500232570000000 ] mass: 126.904470 - symbol: I # 24 coordinates: [ 0.666666670000000, 0.333333330000000, 0.750078530000000 ] mass: 126.904470 reciprocal_lattice: # without 2pi - [ 0.236847405845772, 0.136743913654402, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.273487827956553, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.018245647750740 ] # c*unit_cell: lattice: - [ 4.222127730000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.111063860000000, 3.656469860000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 54.807591029999998 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.531344090000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.906105770000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.781189320000000 ] mass: 112.411000 reduced_to: 3 - symbol: Cd # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.031159450000000 ] mass: 112.411000 reduced_to: 4 - symbol: Cd # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.406420270000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.156005620000000 ] mass: 112.411000 reduced_to: 6 - symbol: Cd # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.656268800000000 ] mass: 112.411000 reduced_to: 7 - symbol: Cd # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.281528460000000 ] mass: 112.411000 reduced_to: 8 - symbol: I # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.000052900000000 ] mass: 126.904470 reduced_to: 9 - symbol: I # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.687370500000000 ] mass: 126.904470 reduced_to: 10 - symbol: I # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.124898020000000 ] mass: 126.904470 reduced_to: 11 - symbol: I # 12 coordinates: [ 0.666666670000000, 0.333333330000000, 0.250428290000000 ] mass: 126.904470 reduced_to: 12 - symbol: I # 13 coordinates: [ 0.666666670000000, 0.333333330000000, 0.375310180000000 ] mass: 126.904470 reduced_to: 13 - symbol: I # 14 coordinates: [ 0.000000000000000, 0.000000000000000, 0.062260550000000 ] mass: 126.904470 reduced_to: 14 - symbol: I # 15 coordinates: [ 0.333333330000000, 0.666666670000000, 0.812289730000000 ] mass: 126.904470 reduced_to: 15 - symbol: I # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.187099480000000 ] mass: 126.904470 reduced_to: 16 - symbol: I # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.562444740000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 18 coordinates: [ 0.666666670000000, 0.333333330000000, 0.625157940000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.437520390000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.937205730000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 21 coordinates: [ 0.666666670000000, 0.333333330000000, 0.874995730000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 22 coordinates: [ 0.333333330000000, 0.666666670000000, 0.312632970000000 ] mass: 126.904470 reduced_to: 22 - symbol: I # 23 coordinates: [ 0.666666670000000, 0.333333330000000, 0.500232570000000 ] mass: 126.904470 reduced_to: 23 - symbol: I # 24 coordinates: [ 0.666666670000000, 0.333333330000000, 0.750078530000000 ] mass: 126.904470 reduced_to: 24supercell: lattice: - [ 8.444255460000001, 0.000000000000000, 0.000000000000000 ] # a - [ -4.222127720000000, 7.312939720000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 54.807591029999998 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.531344090000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.531344090000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.531344090000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.531344090000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 5 coordinates: [ 0.166666665000000, 0.333333335000000, 0.906105770000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 6 coordinates: [ 0.666666665000000, 0.333333335000000, 0.906105770000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 7 coordinates: [ 0.166666665000000, 0.833333335000000, 0.906105770000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 8 coordinates: [ 0.666666665000000, 0.833333335000000, 0.906105770000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.781189320000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 10 coordinates: [ 0.500000000000000, 0.000000000000000, 0.781189320000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 11 coordinates: [ 0.000000000000000, 0.500000000000000, 0.781189320000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.781189320000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 13 coordinates: [ 0.166666665000000, 0.333333335000000, 0.031159450000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 14 coordinates: [ 0.666666665000000, 0.333333335000000, 0.031159450000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 15 coordinates: [ 0.166666665000000, 0.833333335000000, 0.031159450000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 16 coordinates: [ 0.666666665000000, 0.833333335000000, 0.031159450000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 17 coordinates: [ 0.166666665000000, 0.333333335000000, 0.406420270000000 ] mass: 112.411000 reduced_to: 17 - symbol: Cd # 18 coordinates: [ 0.666666665000000, 0.333333335000000, 0.406420270000000 ] mass: 112.411000 reduced_to: 17 - symbol: Cd # 19 coordinates: [ 0.166666665000000, 0.833333335000000, 0.406420270000000 ] mass: 112.411000 reduced_to: 17 - symbol: Cd # 20 coordinates: [ 0.666666665000000, 0.833333335000000, 0.406420270000000 ] mass: 112.411000 reduced_to: 17 - symbol: Cd # 21 coordinates: [ 0.333333335000000, 0.166666665000000, 0.156005620000000 ] mass: 112.411000 reduced_to: 21 - symbol: Cd # 22 coordinates: [ 0.833333335000000, 0.166666665000000, 0.156005620000000 ] mass: 112.411000 reduced_to: 21 - symbol: Cd # 23 coordinates: [ 0.333333335000000, 0.666666665000000, 0.156005620000000 ] mass: 112.411000 reduced_to: 21 - symbol: Cd # 24 coordinates: [ 0.833333335000000, 0.666666665000000, 0.156005620000000 ] mass: 112.411000 reduced_to: 21 - symbol: Cd # 25 coordinates: [ 0.166666665000000, 0.333333335000000, 0.656268800000000 ] mass: 112.411000 reduced_to: 25 - symbol: Cd # 26 coordinates: [ 0.666666665000000, 0.333333335000000, 0.656268800000000 ] mass: 112.411000 reduced_to: 25 - symbol: Cd # 27 coordinates: [ 0.166666665000000, 0.833333335000000, 0.656268800000000 ] mass: 112.411000 reduced_to: 25 - symbol: Cd # 28 coordinates: [ 0.666666665000000, 0.833333335000000, 0.656268800000000 ] mass: 112.411000 reduced_to: 25 - symbol: Cd # 29 coordinates: [ 0.000000000000000, 0.000000000000000, 0.281528460000000 ] mass: 112.411000 reduced_to: 29 - symbol: Cd # 30 coordinates: [ 0.500000000000000, 0.000000000000000, 0.281528460000000 ] mass: 112.411000 reduced_to: 29 - symbol: Cd # 31 coordinates: [ 0.000000000000000, 0.500000000000000, 0.281528460000000 ] mass: 112.411000 reduced_to: 29 - symbol: Cd # 32 coordinates: [ 0.500000000000000, 0.500000000000000, 0.281528460000000 ] mass: 112.411000 reduced_to: 29 - symbol: I # 33 coordinates: [ 0.333333335000000, 0.166666665000000, 0.000052900000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 34 coordinates: [ 0.833333335000000, 0.166666665000000, 0.000052900000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 35 coordinates: [ 0.333333335000000, 0.666666665000000, 0.000052900000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 36 coordinates: [ 0.833333335000000, 0.666666665000000, 0.000052900000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 37 coordinates: [ 0.000000000000000, 0.000000000000000, 0.687370500000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 38 coordinates: [ 0.500000000000000, 0.000000000000000, 0.687370500000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 39 coordinates: [ 0.000000000000000, 0.500000000000000, 0.687370500000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 40 coordinates: [ 0.500000000000000, 0.500000000000000, 0.687370500000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 41 coordinates: [ 0.166666665000000, 0.333333335000000, 0.124898020000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 42 coordinates: [ 0.666666665000000, 0.333333335000000, 0.124898020000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 43 coordinates: [ 0.166666665000000, 0.833333335000000, 0.124898020000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 44 coordinates: [ 0.666666665000000, 0.833333335000000, 0.124898020000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 45 coordinates: [ 0.333333335000000, 0.166666665000000, 0.250428290000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 46 coordinates: [ 0.833333335000000, 0.166666665000000, 0.250428290000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 47 coordinates: [ 0.333333335000000, 0.666666665000000, 0.250428290000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 48 coordinates: [ 0.833333335000000, 0.666666665000000, 0.250428290000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 49 coordinates: [ 0.333333335000000, 0.166666665000000, 0.375310180000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 50 coordinates: [ 0.833333335000000, 0.166666665000000, 0.375310180000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 51 coordinates: [ 0.333333335000000, 0.666666665000000, 0.375310180000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 52 coordinates: [ 0.833333335000000, 0.666666665000000, 0.375310180000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 53 coordinates: [ 0.000000000000000, 0.000000000000000, 0.062260550000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 54 coordinates: [ 0.500000000000000, 0.000000000000000, 0.062260550000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 55 coordinates: [ 0.000000000000000, 0.500000000000000, 0.062260550000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 56 coordinates: [ 0.500000000000000, 0.500000000000000, 0.062260550000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 57 coordinates: [ 0.166666665000000, 0.333333335000000, 0.812289730000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 58 coordinates: [ 0.666666665000000, 0.333333335000000, 0.812289730000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 59 coordinates: [ 0.166666665000000, 0.833333335000000, 0.812289730000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 60 coordinates: [ 0.666666665000000, 0.833333335000000, 0.812289730000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 61 coordinates: [ 0.000000000000000, 0.000000000000000, 0.187099480000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 62 coordinates: [ 0.500000000000000, 0.000000000000000, 0.187099480000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 63 coordinates: [ 0.000000000000000, 0.500000000000000, 0.187099480000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 64 coordinates: [ 0.500000000000000, 0.500000000000000, 0.187099480000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 65 coordinates: [ 0.166666665000000, 0.333333335000000, 0.562444740000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 66 coordinates: [ 0.666666665000000, 0.333333335000000, 0.562444740000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 67 coordinates: [ 0.166666665000000, 0.833333335000000, 0.562444740000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 68 coordinates: [ 0.666666665000000, 0.833333335000000, 0.562444740000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 69 coordinates: [ 0.333333335000000, 0.166666665000000, 0.625157940000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 70 coordinates: [ 0.833333335000000, 0.166666665000000, 0.625157940000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 71 coordinates: [ 0.333333335000000, 0.666666665000000, 0.625157940000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 72 coordinates: [ 0.833333335000000, 0.666666665000000, 0.625157940000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 73 coordinates: [ 0.000000000000000, 0.000000000000000, 0.437520390000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 74 coordinates: [ 0.500000000000000, 0.000000000000000, 0.437520390000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 75 coordinates: [ 0.000000000000000, 0.500000000000000, 0.437520390000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 76 coordinates: [ 0.500000000000000, 0.500000000000000, 0.437520390000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 77 coordinates: [ 0.000000000000000, 0.000000000000000, 0.937205730000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 78 coordinates: [ 0.500000000000000, 0.000000000000000, 0.937205730000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 79 coordinates: [ 0.000000000000000, 0.500000000000000, 0.937205730000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 80 coordinates: [ 0.500000000000000, 0.500000000000000, 0.937205730000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 81 coordinates: [ 0.333333335000000, 0.166666665000000, 0.874995730000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 82 coordinates: [ 0.833333335000000, 0.166666665000000, 0.874995730000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 83 coordinates: [ 0.333333335000000, 0.666666665000000, 0.874995730000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 84 coordinates: [ 0.833333335000000, 0.666666665000000, 0.874995730000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 85 coordinates: [ 0.166666665000000, 0.333333335000000, 0.312632970000000 ] mass: 126.904470 reduced_to: 85 - symbol: I # 86 coordinates: [ 0.666666665000000, 0.333333335000000, 0.312632970000000 ] mass: 126.904470 reduced_to: 85 - symbol: I # 87 coordinates: [ 0.166666665000000, 0.833333335000000, 0.312632970000000 ] mass: 126.904470 reduced_to: 85 - symbol: I # 88 coordinates: [ 0.666666665000000, 0.833333335000000, 0.312632970000000 ] mass: 126.904470 reduced_to: 85 - symbol: I # 89 coordinates: [ 0.333333335000000, 0.166666665000000, 0.500232570000000 ] mass: 126.904470 reduced_to: 89 - symbol: I # 90 coordinates: [ 0.833333335000000, 0.166666665000000, 0.500232570000000 ] mass: 126.904470 reduced_to: 89 - symbol: I # 91 coordinates: [ 0.333333335000000, 0.666666665000000, 0.500232570000000 ] mass: 126.904470 reduced_to: 89 - symbol: I # 92 coordinates: [ 0.833333335000000, 0.666666665000000, 0.500232570000000 ] mass: 126.904470 reduced_to: 89 - symbol: I # 93 coordinates: [ 0.333333335000000, 0.166666665000000, 0.750078530000000 ] mass: 126.904470 reduced_to: 93 - symbol: I # 94 coordinates: [ 0.833333335000000, 0.166666665000000, 0.750078530000000 ] mass: 126.904470 reduced_to: 93 - symbol: I # 95 coordinates: [ 0.333333335000000, 0.666666665000000, 0.750078530000000 ] mass: 126.904470 reduced_to: 93 - symbol: I # 96 coordinates: [ 0.833333335000000, 0.666666665000000, 0.750078530000000 ] mass: 126.904470 reduced_to: 93born_effective_charge:- # 1 (Cd) - [ 3.016994800000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 3.016994800000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.674784970000000 ]- # 2 (Cd) - [ 3.021494170000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.021494170000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.673777860000000 ]- # 3 (Cd) - [ 3.017062880000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 3.017062880000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.674575940000000 ]- # 4 (Cd) - [ 3.021515100000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.021515100000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.672542350000000 ]- # 5 (Cd) - [ 3.017084690000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.017084690000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.674178470000000 ]- # 6 (Cd) - [ 3.014596900000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 3.014596900000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.690378910000000 ]- # 7 (Cd) - [ 3.016918850000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 3.016918850000001, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.674791500000000 ]- # 8 (Cd) - [ 3.014546750000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.014546750000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.689884800000000 ]- # 9 (I) - [ -1.532212830000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.532212830000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.842375330000000 ]- # 10 (I) - [ -1.514023230000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.514023230000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.830601500000000 ]- # 11 (I) - [ -1.514779060000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.514779060000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.830087350000000 ]- # 12 (I) - [ -1.488627500000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.488627500000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.852916640000000 ]- # 13 (I) - [ -1.502618640000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.502618640000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.844892640000000 ]- # 14 (I) - [ -1.501657970000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.501657970000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.837885720000000 ]- # 15 (I) - [ -1.514658030000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.514658030000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.830834890000000 ]- # 16 (I) - [ -1.488093040000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.488093040000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.850436980000000 ]- # 17 (I) - [ -1.514081430000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.514081430000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.831360470000000 ]- # 18 (I) - [ -1.502101410000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.502101410000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.844022380000000 ]- # 19 (I) - [ -1.514521230000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.514521230000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.830786250000000 ]- # 20 (I) - [ -1.532200110000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.532200110000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.839804660000000 ]- # 21 (I) - [ -1.501581050000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -1.501581050000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.842020210000000 ]- # 22 (I) - [ -1.514204200000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.514204200000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.828831250000000 ]- # 23 (I) - [ -1.502592750000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.502592750000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.844010300000000 ]- # 24 (I) - [ -1.502261710000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.502261710000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.844048230000000 ]dielectric_constant: - [ 6.021272710000000, -0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, 6.021272710000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.819711900000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0336782800000000, 0.0000005700000000, 0.0002049200000000 ] - [ 0.0114388600000000, 0.0000009800000000, 0.0002046300000000 ] - [ 0.0003798300000000, -0.0063842800000000, -0.0038785500000000 ] - [ 0.0003796400000000, 0.0063832800000000, 0.0042889300000000 ] - [ -0.0000009400000000, -0.0000000300000000, -0.0002844000000000 ] - [ -0.0000007900000000, 0.0000000000000000, -0.0002844300000000 ] - [ -0.0000006800000000, -0.0000001600000000, -0.0002844300000000 ] - [ -0.0000006400000000, 0.0000001800000000, -0.0002843800000000 ] - [ -0.0000072800000000, 0.0000000000000000, -0.0000406900000000 ] - [ 0.0000075300000000, 0.0000000000000000, -0.0000406400000000 ] - [ -0.0000005900000000, -0.0000047000000000, -0.0000432600000000 ] - [ -0.0000005800000000, 0.0000046700000000, -0.0000380200000000 ] - [ -0.0000028400000000, -0.0000000600000000, -0.0003052700000000 ] - [ -0.0000012100000000, -0.0000000400000000, -0.0003052900000000 ] - [ -0.0000012300000000, -0.0000010300000000, -0.0003052400000000 ] - [ -0.0000011900000000, 0.0000008500000000, -0.0003053400000000 ] - [ -0.0002784200000000, 0.0000001100000000, 0.0002404400000000 ] - [ 0.0002587500000000, -0.0000000900000000, 0.0002402600000000 ] - [ 0.0000259400000000, -0.0001755800000000, 0.0004774300000000 ] - [ 0.0000255800000000, 0.0001756700000000, 0.0000027800000000 ] - [ -0.0000008100000000, -0.0000000200000000, 0.0006914400000000 ] - [ -0.0000008100000000, 0.0000001100000000, 0.0006915600000000 ] - [ -0.0000012900000000, 0.0000000700000000, 0.0006915100000000 ] - [ -0.0000006900000000, 0.0000000700000000, 0.0006915000000000 ] - [ -0.0002784800000000, 0.0000004300000000, 0.0001263700000000 ] - [ 0.0002586900000000, -0.0000006100000000, 0.0001270400000000 ] - [ 0.0000266000000000, -0.0001755500000000, 0.0001899600000000 ] - [ 0.0000248700000000, 0.0001757400000000, 0.0000637600000000 ] - [ -0.0000072300000000, 0.0000000200000000, -0.0002636800000000 ] - [ 0.0000075800000000, 0.0000000300000000, -0.0002636900000000 ] - [ -0.0000005600000000, -0.0000046600000000, -0.0002663300000000 ] - [ -0.0000005600000000, 0.0000047400000000, -0.0002610400000000 ] - [ -0.0000007200000000, -0.0000003500000000, -0.0006966700000000 ] - [ -0.0000007200000000, 0.0000000000000000, -0.0006981100000000 ] - [ -0.0000008600000000, -0.0000001900000000, -0.0006973900000000 ] - [ -0.0000004200000000, -0.0000001800000000, -0.0006973600000000 ] - [ 0.0000061800000000, 0.0000000000000000, 0.0002328500000000 ] - [ 0.0000051100000000, 0.0000002800000000, 0.0002333800000000 ] - [ -0.0000227700000000, -0.0000158700000000, 0.0003922300000000 ] - [ -0.0000222200000000, 0.0000160000000000, 0.0000738000000000 ] - [ -0.0000005600000000, 0.0000003100000000, -0.0006206700000000 ] - [ -0.0000004000000000, 0.0000003000000000, -0.0006206700000000 ] - [ -0.0000006800000000, 0.0000003800000000, -0.0006206600000000 ] - [ -0.0000006800000000, 0.0000002400000000, -0.0006206800000000 ] - [ -0.0000007200000000, -0.0000011900000000, 0.0002768200000000 ] - [ -0.0000007100000000, 0.0000018600000000, 0.0002705900000000 ] - [ -0.0000033500000000, 0.0000003300000000, 0.0002737300000000 ] - [ 0.0000019100000000, 0.0000003300000000, 0.0002737200000000 ] - [ -0.0000035700000000, 0.0000986900000000, -0.0000477700000000 ] - [ -0.0000043000000000, -0.0000986700000000, -0.0000536600000000 ] - [ 0.0002051300000000, 0.0000000300000000, -0.0000507800000000 ] - [ -0.0001750000000000, -0.0000000700000000, -0.0000504500000000 ] - [ -0.0000008100000000, 0.0000001500000000, 0.0002908900000000 ] - [ -0.0000010300000000, 0.0000001400000000, 0.0002909200000000 ] - [ -0.0000001600000000, 0.0000006400000000, 0.0002909400000000 ] - [ -0.0000001600000000, -0.0000003700000000, 0.0002909100000000 ] - [ 0.0000013300000000, -0.0000002600000000, 0.0001836300000000 ] - [ -0.0000019900000000, -0.0000002700000000, 0.0001836100000000 ] - [ -0.0000004000000000, 0.0000007400000000, 0.0001794500000000 ] - [ -0.0000004000000000, -0.0000012600000000, 0.0001877700000000 ] - [ -0.0000002800000000, -0.0000003000000000, -0.0002990100000000 ] - [ -0.0000005200000000, -0.0000003100000000, -0.0002990100000000 ] - [ -0.0000009300000000, -0.0000005500000000, -0.0002991700000000 ] - [ -0.0000009400000000, -0.0000000700000000, -0.0002988600000000 ] - [ 0.0002305200000000, -0.0000263600000000, 0.0003696600000000 ] - [ -0.0009375000000000, -0.0000033300000000, 0.0003937700000000 ] - [ 0.0059706400000000, -0.0033365400000000, 0.0084629500000000 ] - [ 0.0057208900000000, 0.0031485100000000, -0.0074000300000000 ] - [ 0.0000041000000000, 0.0000305800000000, -0.0002883800000000 ] - [ 0.0000041900000000, -0.0000310200000000, -0.0002168200000000 ] - [ -0.0001468300000000, -0.0000000800000000, -0.0002516100000000 ] - [ -0.0000492000000000, 0.0000000500000000, -0.0002534300000000 ] - [ -0.0000307400000000, 0.0000002100000000, 0.0004369200000000 ] - [ -0.0000847400000000, 0.0000000200000000, 0.0004366400000000 ] - [ 0.0000174200000000, 0.0000586100000000, 0.0001829800000000 ] - [ 0.0000171500000000, -0.0000591600000000, 0.0006909500000000 ] - [ -0.0000006800000000, 0.0000002300000000, 0.0004347900000000 ] - [ -0.0000010800000000, 0.0000002300000000, 0.0004348100000000 ] - [ -0.0000019100000000, -0.0000002400000000, 0.0004349400000000 ] - [ -0.0000019100000000, 0.0000007200000000, 0.0004347100000000 ] - [ -0.0000004100000000, -0.0000002900000000, -0.0006513600000000 ] - [ -0.0000004000000000, 0.0000000200000000, -0.0006509000000000 ] - [ -0.0000004300000000, -0.0000001300000000, -0.0006511500000000 ] - [ -0.0000001300000000, -0.0000001300000000, -0.0006511400000000 ] - [ -0.0000022100000000, 0.0000001500000000, 0.0003371900000000 ] - [ -0.0000006200000000, -0.0000002700000000, 0.0003369900000000 ] - [ 0.0000005600000000, -0.0000020400000000, 0.0003461700000000 ] - [ 0.0000002600000000, 0.0000013000000000, 0.0003283500000000 ] - [ 0.0058634000000000, 0.0032841400000000, -0.0080606600000000 ] - [ 0.0056138300000000, -0.0030962200000000, 0.0077524700000000 ] - [ -0.0009372400000000, 0.0000033600000000, -0.0000168300000000 ] - [ 0.0002140400000000, 0.0000261300000000, 0.0000072900000000 ] - [ 0.0000001000000000, 0.0000012000000000, -0.0003705600000000 ] - [ -0.0000002000000000, -0.0000007100000000, -0.0003603800000000 ] - [ -0.0000026100000000, 0.0000001500000000, -0.0003651800000000 ] - [ -0.0000014300000000, -0.0000002800000000, -0.0003653800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0326700800000000 ] - [ 0.0000000000000000, 0.0047156300000000, -0.0090053600000000 ] - [ -0.0040838500000000, -0.0023578100000000, -0.0090053600000000 ] - [ 0.0040838500000000, -0.0023578100000000, -0.0090053600000000 ] - [ 0.0000000000000000, -0.0000002300000000, 0.0000276200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000270200000000 ] - [ -0.0000002000000000, 0.0000001100000000, 0.0000276200000000 ] - [ 0.0000002000000000, 0.0000001100000000, 0.0000276200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002717700000000 ] - [ 0.0000000000000000, 0.0000029500000000, 0.0002723600000000 ] - [ -0.0000025500000000, -0.0000014700000000, 0.0002723600000000 ] - [ 0.0000025500000000, -0.0000014700000000, 0.0002723600000000 ] - [ 0.0000000000000000, -0.0000011200000000, 0.0000080100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000064000000000 ] - [ -0.0000009700000000, 0.0000005600000000, 0.0000080100000000 ] - [ 0.0000009700000000, 0.0000005600000000, 0.0000080100000000 ] - [ 0.0000000000000000, -0.0000715600000000, 0.0005984900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004595300000000 ] - [ -0.0000619700000000, 0.0000357800000000, 0.0005984900000000 ] - [ 0.0000619700000000, 0.0000357800000000, 0.0005984900000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0010068100000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0010068100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010064900000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0010068100000000 ] - [ 0.0000000000000000, -0.0002729900000000, 0.0004848400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003463200000000 ] - [ -0.0002364100000000, 0.0001364900000000, 0.0004848400000000 ] - [ 0.0002364100000000, 0.0001364900000000, 0.0004848400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000508400000000 ] - [ 0.0000000000000000, 0.0000029700000000, 0.0000522900000000 ] - [ -0.0000025700000000, -0.0000014800000000, 0.0000522900000000 ] - [ 0.0000025700000000, -0.0000014800000000, 0.0000522900000000 ] - [ 0.0000007200000000, 0.0000004100000000, -0.0008534700000000 ] - [ -0.0000007200000000, 0.0000004100000000, -0.0008534700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008525800000000 ] - [ 0.0000000000000000, -0.0000008300000000, -0.0008534700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002003400000000 ] - [ 0.0000000000000000, -0.0000566200000000, 0.0000325300000000 ] - [ 0.0000490300000000, 0.0000283100000000, 0.0000325300000000 ] - [ -0.0000490300000000, 0.0000283100000000, 0.0000325300000000 ] - [ 0.0000000000000000, 0.0000000900000000, -0.0007739000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007729100000000 ] - [ 0.0000000800000000, -0.0000000500000000, -0.0007739000000000 ] - [ -0.0000000800000000, -0.0000000500000000, -0.0007739000000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0001157500000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0001157500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001188100000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0001157500000000 ] - [ 0.0000706600000000, 0.0000407900000000, -0.0001964200000000 ] - [ -0.0000706600000000, 0.0000407900000000, -0.0001964200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002453300000000 ] - [ 0.0000000000000000, -0.0000815900000000, -0.0001964200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001359900000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0001373200000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0001373200000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0001373200000000 ] - [ 0.0000000000000000, -0.0000007800000000, 0.0000288300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000332700000000 ] - [ -0.0000006800000000, 0.0000003900000000, 0.0000288300000000 ] - [ 0.0000006800000000, 0.0000003900000000, 0.0000288300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004572900000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0004561300000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0004561300000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0004561300000000 ] - [ 0.0000000000000000, 0.0072287300000000, 0.0094380700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033172900000000 ] - [ 0.0062602700000000, -0.0036143700000000, 0.0094380700000000 ] - [ -0.0062602700000000, -0.0036143700000000, 0.0094380700000000 ] - [ 0.0000131000000000, 0.0000075700000000, -0.0002611200000000 ] - [ -0.0000131000000000, 0.0000075700000000, -0.0002611200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006025700000000 ] - [ 0.0000000000000000, -0.0000151300000000, -0.0002611200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002736900000000 ] - [ 0.0000000000000000, -0.0000127600000000, 0.0003914200000000 ] - [ 0.0000110500000000, 0.0000063800000000, 0.0003914200000000 ] - [ -0.0000110500000000, 0.0000063800000000, 0.0003914200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002779300000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0002798800000000 ] - [ 0.0000000600000000, 0.0000000400000000, 0.0002798800000000 ] - [ -0.0000000600000000, 0.0000000400000000, 0.0002798800000000 ] - [ -0.0000002000000000, -0.0000001100000000, -0.0008073900000000 ] - [ 0.0000002000000000, -0.0000001100000000, -0.0008073900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008051100000000 ] - [ 0.0000000000000000, 0.0000002300000000, -0.0008073900000000 ] - [ 0.0000000000000000, -0.0000005500000000, 0.0001851400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001784900000000 ] - [ -0.0000004700000000, 0.0000002700000000, 0.0001851400000000 ] - [ 0.0000004700000000, 0.0000002700000000, 0.0001851400000000 ] - [ -0.0059492700000000, -0.0034348100000000, 0.0089223500000000 ] - [ 0.0059492700000000, -0.0034348100000000, 0.0089223500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029030800000000 ] - [ 0.0000000000000000, 0.0068696300000000, 0.0089223500000000 ] - [ 0.0000007000000000, 0.0000004000000000, -0.0005211600000000 ] - [ -0.0000007000000000, 0.0000004000000000, -0.0005211600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005216800000000 ] - [ 0.0000000000000000, -0.0000008100000000, -0.0005211600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0329917600000000 ] - [ 0.0000000000000000, -0.0047150400000000, 0.0094128900000000 ] - [ 0.0040833400000000, 0.0023575200000000, 0.0094128900000000 ] - [ -0.0040833400000000, 0.0023575200000000, 0.0094128900000000 ] - [ 0.0000000000000000, 0.0000001600000000, -0.0005959300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005953900000000 ] - [ 0.0000001400000000, -0.0000000800000000, -0.0005959300000000 ] - [ -0.0000001400000000, -0.0000000800000000, -0.0005959300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003543100000000 ] - [ 0.0000000000000000, -0.0000030000000000, -0.0003538400000000 ] - [ 0.0000026000000000, 0.0000015000000000, -0.0003538400000000 ] - [ -0.0000026000000000, 0.0000015000000000, -0.0003538400000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0006135500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006134500000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0006135500000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0006135500000000 ] - [ 0.0000000000000000, 0.0000740100000000, -0.0001176500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000224900000000 ] - [ 0.0000640900000000, -0.0000370000000000, -0.0001176500000000 ] - [ -0.0000640900000000, -0.0000370000000000, -0.0001176500000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0003794500000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0003794500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003797600000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0003794500000000 ] - [ 0.0000000000000000, 0.0002749600000000, -0.0002316800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000910000000000 ] - [ 0.0002381300000000, -0.0001374800000000, -0.0002316800000000 ] - [ -0.0002381300000000, -0.0001374800000000, -0.0002316800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005779000000000 ] - [ 0.0000000000000000, -0.0000029600000000, -0.0005791800000000 ] - [ 0.0000025600000000, 0.0000014800000000, -0.0005791800000000 ] - [ -0.0000025600000000, 0.0000014800000000, -0.0005791800000000 ] - [ -0.0000007600000000, -0.0000004400000000, -0.0005455600000000 ] - [ 0.0000007600000000, -0.0000004400000000, -0.0005455600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005466100000000 ] - [ 0.0000000000000000, 0.0000008800000000, -0.0005455600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002709200000000 ] - [ 0.0000000000000000, 0.0000574800000000, 0.0004391400000000 ] - [ -0.0000497800000000, -0.0000287400000000, 0.0004391400000000 ] - [ 0.0000497800000000, -0.0000287400000000, 0.0004391400000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0004704700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004713700000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0004704700000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0004704700000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0004286800000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0004286800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004255500000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0004286800000000 ] - [ -0.0000712000000000, -0.0000411000000000, 0.0000918800000000 ] - [ 0.0000712000000000, -0.0000411000000000, 0.0000918800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001395800000000 ] - [ 0.0000000000000000, 0.0000822100000000, 0.0000918800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004517800000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0004503000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004503000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004503000000000 ] - [ 0.0000000000000000, 0.0000007700000000, 0.0003432700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003388200000000 ] - [ 0.0000006700000000, -0.0000003900000000, 0.0003432700000000 ] - [ -0.0000006700000000, -0.0000003900000000, 0.0003432700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001363800000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0001374800000000 ] - [ -0.0000000600000000, -0.0000000300000000, -0.0001374800000000 ] - [ 0.0000000600000000, -0.0000000300000000, -0.0001374800000000 ] - [ 0.0000000000000000, -0.0070007900000000, -0.0085561500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025268300000000 ] - [ -0.0060628700000000, 0.0035004000000000, -0.0085561500000000 ] - [ 0.0060628700000000, 0.0035004000000000, -0.0085561500000000 ] - [ -0.0000134900000000, -0.0000077900000000, -0.0002488400000000 ] - [ 0.0000134900000000, -0.0000077900000000, -0.0002488400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000975600000000 ] - [ 0.0000000000000000, 0.0000155700000000, -0.0002488400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006055400000000 ] - [ 0.0000000000000000, 0.0000122400000000, 0.0004854100000000 ] - [ -0.0000106000000000, -0.0000061200000000, 0.0004854100000000 ] - [ 0.0000106000000000, -0.0000061200000000, 0.0004854100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005968600000000 ] - [ 0.0000000000000000, 0.0000000800000000, 0.0005951100000000 ] - [ -0.0000000700000000, -0.0000000400000000, 0.0005951100000000 ] - [ 0.0000000700000000, -0.0000000400000000, 0.0005951100000000 ] - [ 0.0000001800000000, 0.0000001000000000, -0.0004986600000000 ] - [ -0.0000001800000000, 0.0000001000000000, -0.0004986600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005009100000000 ] - [ 0.0000000000000000, -0.0000002000000000, -0.0004986600000000 ] - [ 0.0000000000000000, 0.0000009200000000, 0.0004942200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005004400000000 ] - [ 0.0000007900000000, -0.0000004600000000, 0.0004942200000000 ] - [ -0.0000007900000000, -0.0000004600000000, 0.0004942200000000 ] - [ 0.0061461200000000, 0.0035484700000000, -0.0090451500000000 ] - [ -0.0061461200000000, 0.0035484700000000, -0.0090451500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029341700000000 ] - [ 0.0000000000000000, -0.0070969300000000, -0.0090451500000000 ] - [ -0.0000003700000000, -0.0000002100000000, -0.0002130700000000 ] - [ 0.0000003700000000, -0.0000002100000000, -0.0002130700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002121700000000 ] - [ 0.0000000000000000, 0.0000004300000000, -0.0002130700000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000004600000000, -0.0000000700000000, 0.0002039300000000 ] - [ -0.0000003100000000, 0.0000000100000000, 0.0002039300000000 ] - [ -0.0000002000000000, -0.0000001200000000, 0.0002037000000000 ] - [ -0.0000001000000000, 0.0000002400000000, 0.0002040700000000 ] - [ -0.0337250600000000, 0.0000002400000000, -0.0002781800000000 ] - [ 0.0114407900000000, 0.0000008400000000, -0.0002856400000000 ] - [ 0.0003798400000000, -0.0063853600000000, 0.0038016300000000 ] - [ 0.0003796800000000, 0.0063844500000000, -0.0043715600000000 ] - [ -0.0002778600000000, -0.0000000900000000, -0.0000417200000000 ] - [ 0.0002592000000000, 0.0000000400000000, -0.0000419600000000 ] - [ 0.0000261500000000, -0.0001756800000000, -0.0002794400000000 ] - [ 0.0000264400000000, 0.0001755500000000, 0.0001952400000000 ] - [ -0.0000845100000000, -0.0000004400000000, -0.0003026800000000 ] - [ 0.0000847700000000, 0.0000003900000000, -0.0003035500000000 ] - [ 0.0000470800000000, -0.0000213600000000, -0.0001353800000000 ] - [ 0.0000485600000000, 0.0000212400000000, -0.0004704600000000 ] - [ -0.0000004400000000, -0.0000000500000000, 0.0002394700000000 ] - [ -0.0000010300000000, -0.0000000500000000, 0.0002395400000000 ] - [ -0.0000003200000000, 0.0000004200000000, 0.0002395000000000 ] - [ -0.0000003000000000, -0.0000004100000000, 0.0002394500000000 ] - [ -0.0000005800000000, -0.0000026100000000, 0.0006933400000000 ] - [ -0.0000004500000000, 0.0000027500000000, 0.0006936800000000 ] - [ -0.0000051200000000, 0.0000000100000000, 0.0006934500000000 ] - [ 0.0000030800000000, 0.0000000300000000, 0.0006935500000000 ] - [ -0.0000066900000000, -0.0000000100000000, 0.0001258900000000 ] - [ 0.0000081500000000, 0.0000000300000000, 0.0001258200000000 ] - [ 0.0000001100000000, -0.0000047200000000, 0.0001284700000000 ] - [ 0.0000001000000000, 0.0000046400000000, 0.0001232100000000 ] - [ -0.0000003900000000, -0.0000000100000000, -0.0002643200000000 ] - [ -0.0000002300000000, 0.0000000000000000, -0.0002643400000000 ] - [ -0.0000001600000000, -0.0000000900000000, -0.0002643900000000 ] - [ -0.0000001900000000, 0.0000002300000000, -0.0002643200000000 ] - [ -0.0000044300000000, -0.0000110600000000, -0.0007455900000000 ] - [ -0.0000043300000000, 0.0000110900000000, -0.0006527600000000 ] - [ -0.0000235800000000, -0.0000003500000000, -0.0007000800000000 ] - [ -0.0002368800000000, -0.0000003200000000, -0.0006983400000000 ] - [ -0.0000021300000000, -0.0000003100000000, 0.0002345100000000 ] - [ -0.0000005200000000, 0.0000001000000000, 0.0002343000000000 ] - [ 0.0000003600000000, -0.0000015000000000, 0.0002257700000000 ] - [ 0.0000006500000000, 0.0000018500000000, 0.0002434800000000 ] - [ -0.0000027600000000, 0.0000003200000000, -0.0006222400000000 ] - [ 0.0000020300000000, 0.0000003000000000, -0.0006223400000000 ] - [ -0.0000000300000000, -0.0000008900000000, -0.0006176000000000 ] - [ -0.0000000500000000, 0.0000015000000000, -0.0006270100000000 ] - [ -0.0000001500000000, 0.0000005100000000, 0.0002722900000000 ] - [ -0.0000001800000000, 0.0000002100000000, 0.0002727600000000 ] - [ 0.0000000900000000, 0.0000003100000000, 0.0002724000000000 ] - [ -0.0000002500000000, 0.0000002900000000, 0.0002724500000000 ] - [ -0.0000000600000000, 0.0000001200000000, -0.0000515300000000 ] - [ -0.0000000500000000, -0.0000002000000000, -0.0000528700000000 ] - [ 0.0000002300000000, -0.0000000300000000, -0.0000522300000000 ] - [ -0.0000002100000000, -0.0000000200000000, -0.0000522400000000 ] - [ 0.0001425300000000, 0.0000003100000000, 0.0002919200000000 ] - [ -0.0001108400000000, -0.0000001000000000, 0.0002916300000000 ] - [ -0.0000118400000000, 0.0000894600000000, 0.0002313700000000 ] - [ -0.0000124700000000, -0.0000891400000000, 0.0003521400000000 ] - [ -0.0000298000000000, -0.0000004100000000, 0.0001850000000000 ] - [ -0.0000837400000000, -0.0000002300000000, 0.0001847900000000 ] - [ 0.0000182600000000, 0.0000590400000000, 0.0004391400000000 ] - [ 0.0000185200000000, -0.0000588600000000, -0.0000689800000000 ] - [ 0.0000012100000000, -0.0000003300000000, -0.0002981500000000 ] - [ -0.0000007100000000, -0.0000003100000000, -0.0002982600000000 ] - [ 0.0000001600000000, 0.0000002800000000, -0.0002955300000000 ] - [ 0.0000002300000000, -0.0000008800000000, -0.0003008900000000 ] - [ 0.0000003400000000, -0.0000002300000000, 0.0003947200000000 ] - [ 0.0000000500000000, -0.0000002400000000, 0.0003947900000000 ] - [ -0.0000003100000000, -0.0000004700000000, 0.0003948300000000 ] - [ -0.0000003200000000, -0.0000000500000000, 0.0003944800000000 ] - [ 0.0000002500000000, 0.0000014200000000, -0.0002505100000000 ] - [ 0.0000002300000000, -0.0000016000000000, -0.0002566800000000 ] - [ 0.0000028600000000, -0.0000001100000000, -0.0002535100000000 ] - [ -0.0000023900000000, -0.0000001200000000, -0.0002535100000000 ] - [ -0.0000002400000000, 0.0000000600000000, 0.0004379900000000 ] - [ -0.0000007300000000, 0.0000000800000000, 0.0004380800000000 ] - [ -0.0000006000000000, 0.0000002300000000, 0.0004387900000000 ] - [ -0.0000005600000000, -0.0000001500000000, 0.0004373200000000 ] - [ 0.0002277200000000, 0.0000262500000000, 0.0004123100000000 ] - [ -0.0009394700000000, 0.0000032900000000, 0.0004364100000000 ] - [ 0.0057115600000000, -0.0031447900000000, -0.0073628500000000 ] - [ 0.0059613400000000, 0.0033327600000000, 0.0085108200000000 ] - [ 0.0058673000000000, -0.0032860700000000, -0.0087023100000000 ] - [ 0.0056176300000000, 0.0030982000000000, 0.0071220000000000 ] - [ 0.0002145100000000, -0.0000260900000000, -0.0006285600000000 ] - [ -0.0009382700000000, -0.0000032800000000, -0.0006528300000000 ] - [ 0.0000003700000000, -0.0000002600000000, 0.0003384400000000 ] - [ -0.0000001600000000, -0.0000002900000000, 0.0003384700000000 ] - [ -0.0000009300000000, -0.0000007500000000, 0.0003383200000000 ] - [ -0.0000009600000000, 0.0000001500000000, 0.0003385700000000 ] - [ -0.0000002800000000, 0.0000002000000000, -0.0000170400000000 ] - [ -0.0000003300000000, 0.0000002000000000, -0.0000172000000000 ] - [ -0.0000003200000000, 0.0000001800000000, -0.0000172500000000 ] - [ 0.0000002400000000, 0.0000001600000000, -0.0000171400000000 ] - [ -0.0000034800000000, -0.0000986000000000, -0.0003630900000000 ] - [ -0.0000042300000000, 0.0000988100000000, -0.0003690400000000 ] - [ -0.0001749600000000, 0.0000002000000000, -0.0003658400000000 ] - [ 0.0002053300000000, 0.0000000800000000, -0.0003661800000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000200000000, 0.0005156000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005150600000000 ] - [ 0.0000000100000000, -0.0000000100000000, 0.0005156000000000 ] - [ -0.0000000100000000, -0.0000000100000000, 0.0005156000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0330460600000000 ] - [ 0.0000000000000000, -0.0047192700000000, -0.0094962000000000 ] - [ 0.0040870000000000, 0.0023596300000000, -0.0094962000000000 ] - [ -0.0040870000000000, 0.0023596300000000, -0.0094962000000000 ] - [ 0.0000000000000000, 0.0000716700000000, 0.0003160900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001769100000000 ] - [ 0.0000620700000000, -0.0000358300000000, 0.0003160900000000 ] - [ -0.0000620700000000, -0.0000358300000000, 0.0003160900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001242000000000 ] - [ 0.0000000000000000, -0.0001922800000000, 0.0000730300000000 ] - [ 0.0001665200000000, 0.0000961400000000, 0.0000730300000000 ] - [ -0.0001665200000000, 0.0000961400000000, 0.0000730300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005506200000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0005502700000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0005502700000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0005502700000000 ] - [ 0.0000044500000000, -0.0000025700000000, 0.0010063200000000 ] - [ -0.0000044500000000, -0.0000025700000000, 0.0010063200000000 ] - [ 0.0000000000000000, 0.0000051400000000, 0.0010063200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010020900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004396800000000 ] - [ 0.0000000000000000, -0.0000029700000000, 0.0004382300000000 ] - [ 0.0000025700000000, 0.0000014900000000, 0.0004382300000000 ] - [ -0.0000025700000000, 0.0000014900000000, 0.0004382300000000 ] - [ 0.0000000000000000, 0.0000001700000000, 0.0000496600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000492700000000 ] - [ 0.0000001500000000, -0.0000000800000000, 0.0000496600000000 ] - [ -0.0000001500000000, -0.0000000800000000, 0.0000496600000000 ] - [ 0.0000015500000000, -0.0000008900000000, -0.0007128000000000 ] - [ -0.0000015500000000, -0.0000008900000000, -0.0007128000000000 ] - [ 0.0000000000000000, 0.0000017800000000, -0.0007128000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010454900000000 ] - [ 0.0000000000000000, 0.0000006400000000, 0.0000798100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000731100000000 ] - [ 0.0000005600000000, -0.0000003200000000, 0.0000798100000000 ] - [ -0.0000005600000000, -0.0000003200000000, 0.0000798100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007847800000000 ] - [ 0.0000000000000000, -0.0000008100000000, -0.0007717200000000 ] - [ 0.0000007000000000, 0.0000004100000000, -0.0007717200000000 ] - [ -0.0000007000000000, 0.0000004100000000, -0.0007717200000000 ] - [ -0.0000002000000000, 0.0000001200000000, 0.0001144800000000 ] - [ 0.0000002000000000, 0.0000001200000000, 0.0001144800000000 ] - [ 0.0000000000000000, -0.0000002300000000, 0.0001144800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001168100000000 ] - [ 0.0000007200000000, -0.0000004200000000, -0.0002080800000000 ] - [ -0.0000007200000000, -0.0000004200000000, -0.0002080800000000 ] - [ 0.0000000000000000, 0.0000008300000000, -0.0002080800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002071300000000 ] - [ 0.0000000000000000, -0.0001067800000000, 0.0001260200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001508800000000 ] - [ -0.0000924800000000, 0.0000533900000000, 0.0001260200000000 ] - [ 0.0000924800000000, 0.0000533900000000, 0.0001260200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000203600000000 ] - [ 0.0000000000000000, 0.0000127800000000, 0.0001370800000000 ] - [ -0.0000110700000000, -0.0000063900000000, 0.0001370800000000 ] - [ 0.0000110700000000, -0.0000063900000000, 0.0001370800000000 ] - [ 0.0000000000000000, 0.0000017500000000, -0.0004586600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004551900000000 ] - [ 0.0000015200000000, -0.0000008700000000, -0.0004586600000000 ] - [ -0.0000015200000000, -0.0000008700000000, -0.0004586600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002369100000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0002384200000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0002384200000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0002384200000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0004101600000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0004101600000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0004101600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004071100000000 ] - [ 0.0000000000000000, 0.0000008500000000, 0.0002810400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002819600000000 ] - [ 0.0000007400000000, -0.0000004200000000, 0.0002810400000000 ] - [ -0.0000007400000000, -0.0000004200000000, 0.0002810400000000 ] - [ 0.0000000000000000, -0.0072217000000000, 0.0094811100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033482000000000 ] - [ -0.0062541800000000, 0.0036108500000000, 0.0094811100000000 ] - [ 0.0062541800000000, 0.0036108500000000, 0.0094811100000000 ] - [ -0.0059544500000000, 0.0034378000000000, 0.0082851600000000 ] - [ 0.0059544500000000, 0.0034378000000000, 0.0082851600000000 ] - [ 0.0000000000000000, -0.0068756000000000, 0.0082851600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022654300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001813100000000 ] - [ 0.0000000000000000, 0.0000000800000000, 0.0001825100000000 ] - [ -0.0000000700000000, -0.0000000400000000, 0.0001825100000000 ] - [ 0.0000000700000000, -0.0000000400000000, 0.0001825100000000 ] - [ 0.0000000700000000, -0.0000000400000000, -0.0001732600000000 ] - [ -0.0000000700000000, -0.0000000400000000, -0.0001732600000000 ] - [ 0.0000000000000000, 0.0000000800000000, -0.0001732600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001723300000000 ] - [ 0.0000706700000000, -0.0000408000000000, -0.0005123300000000 ] - [ -0.0000706700000000, -0.0000408000000000, -0.0005123300000000 ] - [ 0.0000000000000000, 0.0000816100000000, -0.0005123300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005612000000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000000100000000, -0.0001070000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001063500000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0001070000000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0001070000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0324918700000000 ] - [ 0.0000000000000000, 0.0047188300000000, 0.0089241200000000 ] - [ -0.0040866300000000, -0.0023594200000000, 0.0089241200000000 ] - [ 0.0040866300000000, -0.0023594200000000, 0.0089241200000000 ] - [ 0.0000000000000000, -0.0000740800000000, -0.0003987500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002585200000000 ] - [ -0.0000641500000000, 0.0000370400000000, -0.0003987500000000 ] - [ 0.0000641500000000, 0.0000370400000000, -0.0003987500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004809300000000 ] - [ 0.0000000000000000, 0.0001946700000000, -0.0006812800000000 ] - [ -0.0001685900000000, -0.0000973400000000, -0.0006812800000000 ] - [ 0.0001685900000000, -0.0000973400000000, -0.0006812800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000714900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000704400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000704400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000704400000000 ] - [ -0.0000045300000000, 0.0000026100000000, 0.0003792000000000 ] - [ 0.0000045300000000, 0.0000026100000000, 0.0003792000000000 ] - [ 0.0000000000000000, -0.0000052300000000, 0.0003792000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003835400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001859900000000 ] - [ 0.0000000000000000, 0.0000030000000000, -0.0001857200000000 ] - [ -0.0000026000000000, -0.0000015000000000, -0.0001857200000000 ] - [ 0.0000026000000000, -0.0000015000000000, -0.0001857200000000 ] - [ 0.0000000000000000, -0.0000001800000000, -0.0005777200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005773600000000 ] - [ -0.0000001500000000, 0.0000000900000000, -0.0005777200000000 ] - [ 0.0000001500000000, 0.0000000900000000, -0.0005777200000000 ] - [ -0.0000017200000000, 0.0000009900000000, -0.0006835000000000 ] - [ 0.0000017200000000, 0.0000009900000000, -0.0006835000000000 ] - [ 0.0000000000000000, -0.0000019900000000, -0.0006835000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003463100000000 ] - [ 0.0000000000000000, -0.0000009600000000, 0.0003861700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003923600000000 ] - [ -0.0000008300000000, 0.0000004800000000, 0.0003861700000000 ] - [ 0.0000008300000000, 0.0000004800000000, 0.0003861700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004561800000000 ] - [ 0.0000000000000000, 0.0000007900000000, -0.0004695500000000 ] - [ -0.0000006800000000, -0.0000003900000000, -0.0004695500000000 ] - [ 0.0000006800000000, -0.0000003900000000, -0.0004695500000000 ] - [ 0.0000002100000000, -0.0000001200000000, 0.0004333100000000 ] - [ -0.0000002100000000, -0.0000001200000000, 0.0004333100000000 ] - [ 0.0000000000000000, 0.0000002500000000, 0.0004333100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004309400000000 ] - [ -0.0000007000000000, 0.0000004000000000, 0.0001069100000000 ] - [ 0.0000007000000000, 0.0000004000000000, 0.0001069100000000 ] - [ 0.0000000000000000, -0.0000008100000000, 0.0001069100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001059300000000 ] - [ 0.0000000000000000, 0.0001073900000000, 0.0004556500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004296500000000 ] - [ 0.0000930000000000, -0.0000536900000000, 0.0004556500000000 ] - [ -0.0000930000000000, -0.0000536900000000, 0.0004556500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003481400000000 ] - [ 0.0000000000000000, -0.0000122700000000, 0.0002283900000000 ] - [ 0.0000106300000000, 0.0000061400000000, 0.0002283900000000 ] - [ -0.0000106300000000, 0.0000061400000000, 0.0002283900000000 ] - [ 0.0000000000000000, -0.0000017900000000, -0.0001406200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001440500000000 ] - [ -0.0000015500000000, 0.0000008900000000, -0.0001406200000000 ] - [ 0.0000015500000000, 0.0000008900000000, -0.0001406200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005489500000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0005473800000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0005473800000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0005473800000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0000941700000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0000941700000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0000941700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000972400000000 ] - [ 0.0000000000000000, -0.0000008300000000, 0.0005912600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005903600000000 ] - [ -0.0000007200000000, 0.0000004100000000, 0.0005912600000000 ] - [ 0.0000007200000000, 0.0000004100000000, 0.0005912600000000 ] - [ 0.0000000000000000, 0.0069935300000000, -0.0085223000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024808800000000 ] - [ 0.0060565700000000, -0.0034967600000000, -0.0085223000000000 ] - [ -0.0060565700000000, -0.0034967600000000, -0.0085223000000000 ] - [ 0.0061514100000000, -0.0035515200000000, -0.0096753200000000 ] - [ -0.0061514100000000, -0.0035515200000000, -0.0096753200000000 ] - [ 0.0000000000000000, 0.0071030300000000, -0.0096753200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035636300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004919500000000 ] - [ 0.0000000000000000, -0.0000000900000000, 0.0004909500000000 ] - [ 0.0000000800000000, 0.0000000500000000, 0.0004909500000000 ] - [ -0.0000000800000000, 0.0000000500000000, 0.0004909500000000 ] - [ -0.0000000900000000, 0.0000000500000000, 0.0001418700000000 ] - [ 0.0000000900000000, 0.0000000500000000, 0.0001418700000000 ] - [ 0.0000000000000000, -0.0000001000000000, 0.0001418700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001410200000000 ] - [ -0.0000711500000000, 0.0000410800000000, -0.0002174800000000 ] - [ 0.0000711500000000, 0.0000410800000000, -0.0002174800000000 ] - [ 0.0000000000000000, -0.0000821600000000, -0.0002174800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001698600000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000068400000000, 0.0000000200000000, 0.0002046700000000 ] - [ 0.0000079600000000, -0.0000000100000000, 0.0002046600000000 ] - [ -0.0000001200000000, -0.0000046700000000, 0.0002020400000000 ] - [ -0.0000001700000000, 0.0000046800000000, 0.0002073100000000 ] - [ -0.0002780700000000, 0.0000004300000000, -0.0002851400000000 ] - [ 0.0002591500000000, -0.0000005700000000, -0.0002845000000000 ] - [ 0.0000270600000000, -0.0001755800000000, -0.0002214900000000 ] - [ 0.0000253600000000, 0.0001757900000000, -0.0003478300000000 ] - [ -0.0337158400000000, 0.0000004600000000, -0.0000026400000000 ] - [ 0.0114389400000000, 0.0000009800000000, -0.0000414900000000 ] - [ 0.0003801900000000, -0.0063841300000000, -0.0041245700000000 ] - [ 0.0003800600000000, 0.0063830800000000, 0.0040426900000000 ] - [ -0.0000050600000000, -0.0000000800000000, -0.0003057000000000 ] - [ 0.0000030600000000, -0.0000000500000000, -0.0003057100000000 ] - [ -0.0000005300000000, -0.0000027200000000, -0.0003012700000000 ] - [ -0.0000004700000000, 0.0000025400000000, -0.0003101500000000 ] - [ -0.0000005100000000, 0.0000000000000000, 0.0002398600000000 ] - [ -0.0000004200000000, -0.0000000100000000, 0.0002398800000000 ] - [ -0.0000002300000000, -0.0000001900000000, 0.0002400500000000 ] - [ -0.0000002500000000, 0.0000001200000000, 0.0002396700000000 ] - [ -0.0000003800000000, 0.0000000000000000, 0.0006909800000000 ] - [ -0.0000003700000000, 0.0000000800000000, 0.0006911900000000 ] - [ -0.0000009000000000, 0.0000000600000000, 0.0006910700000000 ] - [ -0.0000003000000000, 0.0000000700000000, 0.0006910800000000 ] - [ -0.0002780600000000, 0.0000000600000000, 0.0001264500000000 ] - [ 0.0002592300000000, -0.0000001300000000, 0.0001262600000000 ] - [ 0.0000263600000000, -0.0001755900000000, 0.0003635300000000 ] - [ 0.0000260400000000, 0.0001757300000000, -0.0001112700000000 ] - [ -0.0000007200000000, 0.0000000300000000, -0.0002640900000000 ] - [ -0.0000012700000000, 0.0000000200000000, -0.0002641100000000 ] - [ -0.0000005300000000, 0.0000004600000000, -0.0002641300000000 ] - [ -0.0000005400000000, -0.0000003800000000, -0.0002641000000000 ] - [ 0.0000004200000000, 0.0000013800000000, -0.0007027000000000 ] - [ 0.0000007400000000, -0.0000019100000000, -0.0006924700000000 ] - [ -0.0000009500000000, -0.0000002000000000, -0.0006978900000000 ] - [ -0.0000019900000000, 0.0000002600000000, -0.0006976600000000 ] - [ -0.0000303600000000, 0.0000002300000000, 0.0002330800000000 ] - [ -0.0000842900000000, 0.0000000400000000, 0.0002328400000000 ] - [ 0.0000178800000000, 0.0000586500000000, -0.0000208900000000 ] - [ 0.0000176100000000, -0.0000591300000000, 0.0004872000000000 ] - [ -0.0000000200000000, 0.0000003100000000, -0.0006211300000000 ] - [ -0.0000001800000000, 0.0000002900000000, -0.0006211200000000 ] - [ -0.0000003000000000, 0.0000004800000000, -0.0006211200000000 ] - [ -0.0000003100000000, 0.0000001400000000, -0.0006211300000000 ] - [ -0.0000006200000000, 0.0000001600000000, 0.0002740000000000 ] - [ -0.0000006100000000, 0.0000004900000000, 0.0002725500000000 ] - [ -0.0000007700000000, 0.0000003200000000, 0.0002733000000000 ] - [ -0.0000003400000000, 0.0000003200000000, 0.0002733000000000 ] - [ 0.0000000300000000, -0.0000000300000000, -0.0000509400000000 ] - [ 0.0000000400000000, -0.0000000600000000, -0.0000511300000000 ] - [ 0.0000005900000000, -0.0000000400000000, -0.0000510300000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0000510300000000 ] - [ 0.0000032700000000, 0.0000001400000000, 0.0002905600000000 ] - [ -0.0000033400000000, 0.0000001300000000, 0.0002905700000000 ] - [ -0.0000007500000000, 0.0000016300000000, 0.0002902400000000 ] - [ -0.0000007400000000, -0.0000013600000000, 0.0002909000000000 ] - [ 0.0002307300000000, -0.0000263900000000, 0.0001598000000000 ] - [ -0.0009369200000000, -0.0000033500000000, 0.0001839100000000 ] - [ 0.0059719300000000, -0.0033371900000000, 0.0082536200000000 ] - [ 0.0057221600000000, 0.0031491000000000, -0.0076104400000000 ] - [ 0.0000000700000000, -0.0000003200000000, -0.0002994100000000 ] - [ -0.0000002500000000, -0.0000003200000000, -0.0002993800000000 ] - [ -0.0000011100000000, -0.0000008200000000, -0.0002993100000000 ] - [ -0.0000011200000000, 0.0000001800000000, -0.0002994700000000 ] - [ -0.0000017600000000, 0.0000001800000000, 0.0003929500000000 ] - [ -0.0000001700000000, -0.0000002500000000, 0.0003927400000000 ] - [ 0.0000010000000000, -0.0000020000000000, 0.0004019200000000 ] - [ 0.0000007000000000, 0.0000013300000000, 0.0003841800000000 ] - [ -0.0000031700000000, 0.0000986600000000, -0.0002499200000000 ] - [ -0.0000039200000000, -0.0000987700000000, -0.0002558200000000 ] - [ 0.0002056100000000, -0.0000000400000000, -0.0002529700000000 ] - [ -0.0001746600000000, -0.0000001500000000, -0.0002526300000000 ] - [ -0.0000004000000000, 0.0000000600000000, 0.0004361200000000 ] - [ -0.0000006200000000, 0.0000000600000000, 0.0004360900000000 ] - [ -0.0000010100000000, -0.0000001700000000, 0.0004359500000000 ] - [ -0.0000010100000000, 0.0000002800000000, 0.0004362400000000 ] - [ 0.0000063600000000, 0.0000001400000000, 0.0004342500000000 ] - [ 0.0000061300000000, 0.0000004000000000, 0.0004347800000000 ] - [ -0.0000220700000000, -0.0000159200000000, 0.0005937900000000 ] - [ -0.0000215300000000, 0.0000163300000000, 0.0002750700000000 ] - [ 0.0000044700000000, 0.0000303500000000, -0.0006878800000000 ] - [ 0.0000045700000000, -0.0000308700000000, -0.0006159800000000 ] - [ -0.0001477500000000, -0.0000001200000000, -0.0006509600000000 ] - [ -0.0000484900000000, 0.0000000200000000, -0.0006527700000000 ] - [ 0.0000000800000000, -0.0000002900000000, 0.0003365700000000 ] - [ -0.0000003600000000, -0.0000002900000000, 0.0003365800000000 ] - [ -0.0000002300000000, -0.0000001000000000, 0.0003358700000000 ] - [ -0.0000002200000000, -0.0000004600000000, 0.0003372600000000 ] - [ -0.0000003700000000, -0.0000013300000000, -0.0000132900000000 ] - [ -0.0000003700000000, 0.0000016900000000, -0.0000195300000000 ] - [ -0.0000030100000000, 0.0000001900000000, -0.0000163800000000 ] - [ 0.0000022500000000, 0.0000001900000000, -0.0000164000000000 ] - [ 0.0058649200000000, 0.0032849100000000, -0.0084114600000000 ] - [ 0.0056153400000000, -0.0030970400000000, 0.0074038200000000 ] - [ -0.0009367800000000, 0.0000033100000000, -0.0003665700000000 ] - [ 0.0002141800000000, 0.0000260900000000, -0.0003424600000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0005168300000000 ] - [ 0.0000000000000000, 0.0000029200000000, 0.0005171900000000 ] - [ -0.0000025300000000, -0.0000014600000000, 0.0005171900000000 ] - [ 0.0000025300000000, -0.0000014600000000, 0.0005171900000000 ] - [ 0.0000000000000000, -0.0002731100000000, 0.0000727500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000660000000000 ] - [ -0.0002365200000000, 0.0001365500000000, 0.0000727500000000 ] - [ 0.0002365200000000, 0.0001365500000000, 0.0000727500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0328261400000000 ] - [ 0.0000000000000000, 0.0047155000000000, -0.0092519800000000 ] - [ -0.0040837400000000, -0.0023577500000000, -0.0092519800000000 ] - [ 0.0040837400000000, -0.0023577500000000, -0.0092519800000000 ] - [ 0.0000000000000000, -0.0000002600000000, 0.0000073200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000030300000000 ] - [ -0.0000002200000000, 0.0000001300000000, 0.0000073200000000 ] - [ 0.0000002200000000, 0.0000001300000000, 0.0000073200000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0005514200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005509100000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0005514200000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0005514200000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0010059000000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0010059000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010054600000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0010059000000000 ] - [ 0.0000000000000000, -0.0000716100000000, 0.0004840400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003450400000000 ] - [ -0.0000620200000000, 0.0000358100000000, 0.0004840400000000 ] - [ 0.0000620200000000, 0.0000358100000000, 0.0004840400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000536800000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0000499400000000 ] - [ -0.0000000600000000, -0.0000000300000000, 0.0000499400000000 ] - [ 0.0000000600000000, -0.0000000300000000, 0.0000499400000000 ] - [ 0.0000009700000000, 0.0000005600000000, -0.0008527100000000 ] - [ -0.0000009700000000, 0.0000005600000000, -0.0008527100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008539100000000 ] - [ 0.0000000000000000, -0.0000011200000000, -0.0008527100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000692700000000 ] - [ 0.0000000000000000, -0.0000127600000000, 0.0001866600000000 ] - [ 0.0000110500000000, 0.0000063800000000, 0.0001866600000000 ] - [ -0.0000110500000000, 0.0000063800000000, 0.0001866600000000 ] - [ 0.0000000000000000, -0.0000002400000000, -0.0007746100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007721800000000 ] - [ -0.0000002100000000, 0.0000001200000000, -0.0007746100000000 ] - [ 0.0000002100000000, 0.0000001200000000, -0.0007746100000000 ] - [ 0.0000007400000000, 0.0000004200000000, 0.0001154900000000 ] - [ -0.0000007400000000, 0.0000004200000000, 0.0001154900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001164100000000 ] - [ 0.0000000000000000, -0.0000008500000000, 0.0001154900000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0002072300000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0002072300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002062700000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0002072300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001332400000000 ] - [ 0.0000000000000000, -0.0000018400000000, 0.0001347700000000 ] - [ 0.0000015900000000, 0.0000009200000000, 0.0001347700000000 ] - [ -0.0000015900000000, 0.0000009200000000, 0.0001347700000000 ] - [ 0.0000000000000000, 0.0072294800000000, 0.0092269500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031062100000000 ] - [ 0.0062609200000000, -0.0036147400000000, 0.0092269500000000 ] - [ -0.0062609200000000, -0.0036147400000000, 0.0092269500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004597900000000 ] - [ 0.0000000000000000, -0.0000000600000000, -0.0004577400000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0004577400000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0004577400000000 ] - [ 0.0000000000000000, -0.0000005400000000, 0.0002397800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002331800000000 ] - [ -0.0000004700000000, 0.0000002700000000, 0.0002397800000000 ] - [ 0.0000004700000000, 0.0000002700000000, 0.0002397800000000 ] - [ 0.0000706800000000, 0.0000408100000000, -0.0003985600000000 ] - [ -0.0000706800000000, 0.0000408100000000, -0.0003985600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004474800000000 ] - [ 0.0000000000000000, -0.0000816100000000, -0.0003985600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002807300000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0002818600000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0002818600000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0002818600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003994900000000 ] - [ 0.0000000000000000, -0.0000564300000000, 0.0002313900000000 ] - [ 0.0000488700000000, 0.0000282100000000, 0.0002313900000000 ] - [ -0.0000488700000000, 0.0000282100000000, 0.0002313900000000 ] - [ 0.0000129300000000, 0.0000074700000000, -0.0006597000000000 ] - [ -0.0000129300000000, 0.0000074700000000, -0.0006597000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010021700000000 ] - [ 0.0000000000000000, -0.0000149400000000, -0.0006597000000000 ] - [ 0.0000000000000000, -0.0000008900000000, 0.0001819000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001827900000000 ] - [ -0.0000007700000000, 0.0000004500000000, 0.0001819000000000 ] - [ 0.0000007700000000, 0.0000004500000000, 0.0001819000000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0001729900000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0001729900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001699500000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0001729900000000 ] - [ -0.0059500100000000, -0.0034352400000000, 0.0085729000000000 ] - [ 0.0059500100000000, -0.0034352400000000, 0.0085729000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025533400000000 ] - [ 0.0000000000000000, 0.0068704800000000, 0.0085729000000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001075100000000 ] - [ 0.0000000000000000, -0.0000030100000000, -0.0001072700000000 ] - [ 0.0000026000000000, 0.0000015000000000, -0.0001072700000000 ] - [ -0.0000026000000000, 0.0000015000000000, -0.0001072700000000 ] - [ 0.0000000000000000, 0.0002750500000000, -0.0006421200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005012200000000 ] - [ 0.0002382000000000, -0.0001375200000000, -0.0006421200000000 ] - [ -0.0002382000000000, -0.0001375200000000, -0.0006421200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0327363600000000 ] - [ 0.0000000000000000, -0.0047154200000000, 0.0091704800000000 ] - [ 0.0040836700000000, 0.0023577100000000, 0.0091704800000000 ] - [ -0.0040836700000000, 0.0023577100000000, 0.0091704800000000 ] - [ 0.0000000000000000, 0.0000002100000000, -0.0006171000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006128200000000 ] - [ 0.0000001900000000, -0.0000001100000000, -0.0006171000000000 ] - [ -0.0000001900000000, -0.0000001100000000, -0.0006171000000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0000709400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000703500000000 ] - [ 0.0000000100000000, -0.0000000100000000, -0.0000709400000000 ] - [ -0.0000000100000000, -0.0000000100000000, -0.0000709400000000 ] - [ 0.0000000800000000, 0.0000000500000000, 0.0003778900000000 ] - [ -0.0000000800000000, 0.0000000500000000, 0.0003778900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003782900000000 ] - [ 0.0000000000000000, -0.0000000900000000, 0.0003778900000000 ] - [ 0.0000000000000000, 0.0000740200000000, -0.0002309600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000908300000000 ] - [ 0.0000641100000000, -0.0000370100000000, -0.0002309600000000 ] - [ -0.0000641100000000, -0.0000370100000000, -0.0002309600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005804100000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0005773600000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0005773600000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0005773600000000 ] - [ -0.0000012800000000, -0.0000007400000000, -0.0005404900000000 ] - [ 0.0000012800000000, -0.0000007400000000, -0.0005404900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005400100000000 ] - [ 0.0000000000000000, 0.0000014800000000, -0.0005404900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003968300000000 ] - [ 0.0000000000000000, 0.0000122300000000, 0.0002770100000000 ] - [ -0.0000105900000000, -0.0000061200000000, 0.0002770100000000 ] - [ 0.0000105900000000, -0.0000061200000000, 0.0002770100000000 ] - [ 0.0000000000000000, 0.0000002400000000, -0.0004650200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004674900000000 ] - [ 0.0000002000000000, -0.0000001200000000, -0.0004650200000000 ] - [ -0.0000002000000000, -0.0000001200000000, -0.0004650200000000 ] - [ -0.0000007400000000, -0.0000004300000000, 0.0004332500000000 ] - [ 0.0000007400000000, -0.0000004300000000, 0.0004332500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004323100000000 ] - [ 0.0000000000000000, 0.0000008500000000, 0.0004332500000000 ] - [ -0.0000000600000000, -0.0000000300000000, 0.0001071400000000 ] - [ 0.0000000600000000, -0.0000000300000000, 0.0001071400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001061700000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0001071400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004482700000000 ] - [ 0.0000000000000000, 0.0000018300000000, 0.0004466600000000 ] - [ -0.0000015900000000, -0.0000009200000000, 0.0004466600000000 ] - [ 0.0000015900000000, -0.0000009200000000, 0.0004466600000000 ] - [ 0.0000000000000000, -0.0070015800000000, -0.0087721600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027429300000000 ] - [ -0.0060635400000000, 0.0035007900000000, -0.0087721600000000 ] - [ 0.0060635400000000, 0.0035007900000000, -0.0087721600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001396600000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0001415500000000 ] - [ -0.0000000600000000, -0.0000000300000000, -0.0001415500000000 ] - [ 0.0000000600000000, -0.0000000300000000, -0.0001415500000000 ] - [ 0.0000000000000000, 0.0000008900000000, 0.0005457800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005519400000000 ] - [ 0.0000007700000000, -0.0000004400000000, 0.0005457800000000 ] - [ -0.0000007700000000, -0.0000004400000000, 0.0005457800000000 ] - [ -0.0000711900000000, -0.0000411000000000, -0.0001045500000000 ] - [ 0.0000711900000000, -0.0000411000000000, -0.0001045500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000569300000000 ] - [ 0.0000000000000000, 0.0000822000000000, -0.0001045500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005913100000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0005899900000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0005899900000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0005899900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004691200000000 ] - [ 0.0000000000000000, 0.0000572800000000, 0.0006376700000000 ] - [ -0.0000496100000000, -0.0000286400000000, 0.0006376700000000 ] - [ 0.0000496100000000, -0.0000286400000000, 0.0006376700000000 ] - [ -0.0000133200000000, -0.0000076900000000, -0.0006431800000000 ] - [ 0.0000133200000000, -0.0000076900000000, -0.0006431800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002959100000000 ] - [ 0.0000000000000000, 0.0000153800000000, -0.0006431800000000 ] - [ 0.0000000000000000, 0.0000008800000000, 0.0004908700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004899700000000 ] - [ 0.0000007700000000, -0.0000004400000000, 0.0004908700000000 ] - [ -0.0000007700000000, -0.0000004400000000, 0.0004908700000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0001423500000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0001423500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001392500000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0001423500000000 ] - [ 0.0061469900000000, 0.0035489700000000, -0.0093910700000000 ] - [ -0.0061469900000000, 0.0035489700000000, -0.0093910700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032797500000000 ] - [ 0.0000000000000000, -0.0070979300000000, -0.0093910700000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000024300000000, 0.0000000200000000, 0.0002047400000000 ] - [ -0.0000007900000000, 0.0000000000000000, 0.0002047300000000 ] - [ -0.0000007900000000, -0.0000009300000000, 0.0002046900000000 ] - [ -0.0000008100000000, 0.0000009600000000, 0.0002047800000000 ] - [ -0.0000846100000000, 0.0000004400000000, -0.0002851600000000 ] - [ 0.0000846700000000, -0.0000004900000000, -0.0002842000000000 ] - [ 0.0000484700000000, -0.0000212800000000, -0.0001172900000000 ] - [ 0.0000470100000000, 0.0000213700000000, -0.0004523400000000 ] - [ -0.0000051700000000, 0.0000000000000000, -0.0000410100000000 ] - [ 0.0000029600000000, -0.0000000100000000, -0.0000410300000000 ] - [ -0.0000005600000000, -0.0000026600000000, -0.0000411700000000 ] - [ -0.0000006000000000, 0.0000026400000000, -0.0000408600000000 ] - [ -0.0337237900000000, -0.0000003300000000, -0.0002780000000000 ] - [ 0.0114403300000000, 0.0000008500000000, -0.0003059700000000 ] - [ 0.0003796100000000, -0.0063852900000000, 0.0037812200000000 ] - [ 0.0003795100000000, 0.0063841500000000, -0.0043919000000000 ] - [ 0.0000014300000000, 0.0000000300000000, 0.0002400400000000 ] - [ -0.0000000700000000, -0.0000000100000000, 0.0002400000000000 ] - [ -0.0000000500000000, -0.0000000200000000, 0.0002399300000000 ] - [ -0.0000000800000000, -0.0000000300000000, 0.0002400500000000 ] - [ 0.0000264500000000, -0.0001761600000000, 0.0004530900000000 ] - [ 0.0000261200000000, 0.0001764200000000, 0.0009300300000000 ] - [ -0.0002790700000000, 0.0000001600000000, 0.0006912300000000 ] - [ 0.0002599400000000, -0.0000000100000000, 0.0006914400000000 ] - [ 0.0000008600000000, -0.0000000700000000, 0.0001264100000000 ] - [ 0.0000000900000000, -0.0000000200000000, 0.0001263900000000 ] - [ -0.0000000500000000, -0.0000000900000000, 0.0001264900000000 ] - [ -0.0000000400000000, 0.0000000700000000, 0.0001263000000000 ] - [ -0.0000069000000000, 0.0000000300000000, -0.0002639700000000 ] - [ 0.0000049400000000, 0.0000000200000000, -0.0002639800000000 ] - [ -0.0000006300000000, -0.0000035600000000, -0.0002673600000000 ] - [ -0.0000006600000000, 0.0000036600000000, -0.0002606000000000 ] - [ 0.0059523100000000, -0.0033269300000000, -0.0087613100000000 ] - [ 0.0057027900000000, 0.0031392900000000, 0.0070906700000000 ] - [ 0.0002286200000000, -0.0000262000000000, -0.0006737000000000 ] - [ -0.0009395000000000, -0.0000032400000000, -0.0006978100000000 ] - [ -0.0000001500000000, 0.0000000900000000, 0.0002320200000000 ] - [ -0.0000004600000000, 0.0000001000000000, 0.0002320200000000 ] - [ -0.0000004200000000, 0.0000002600000000, 0.0002318100000000 ] - [ -0.0000004200000000, -0.0000000600000000, 0.0002322400000000 ] - [ -0.0000303100000000, 0.0000004500000000, -0.0006207900000000 ] - [ -0.0000854300000000, 0.0000002600000000, -0.0006205300000000 ] - [ 0.0000183800000000, 0.0000598500000000, -0.0003645400000000 ] - [ 0.0000181100000000, -0.0000598900000000, -0.0008772000000000 ] - [ -0.0000004300000000, -0.0000009300000000, 0.0002654400000000 ] - [ 0.0000000800000000, 0.0000015800000000, 0.0002827600000000 ] - [ -0.0000026300000000, 0.0000003300000000, 0.0002740100000000 ] - [ -0.0000002100000000, 0.0000003400000000, 0.0002740000000000 ] - [ 0.0000001100000000, 0.0000000800000000, -0.0000502000000000 ] - [ 0.0000001200000000, -0.0000001500000000, -0.0000502900000000 ] - [ 0.0000003200000000, -0.0000000300000000, -0.0000502400000000 ] - [ 0.0000001200000000, -0.0000000400000000, -0.0000502400000000 ] - [ 0.0002118100000000, 0.0000261400000000, 0.0002667200000000 ] - [ -0.0009384200000000, 0.0000033000000000, 0.0002909200000000 ] - [ 0.0056300400000000, -0.0031068600000000, -0.0074986500000000 ] - [ 0.0058800000000000, 0.0032950200000000, 0.0083553600000000 ] - [ -0.0000025200000000, -0.0000002500000000, 0.0001826300000000 ] - [ 0.0000021600000000, -0.0000002700000000, 0.0001826600000000 ] - [ 0.0000001300000000, -0.0000014400000000, 0.0001872800000000 ] - [ 0.0000001300000000, 0.0000009100000000, 0.0001780100000000 ] - [ -0.0001760500000000, -0.0000003500000000, -0.0003001900000000 ] - [ 0.0002077800000000, -0.0000002500000000, -0.0002998400000000 ] - [ -0.0000038900000000, -0.0000997900000000, -0.0002969800000000 ] - [ -0.0000031500000000, 0.0000992700000000, -0.0003028900000000 ] - [ 0.0000001600000000, -0.0000002600000000, 0.0003921900000000 ] - [ -0.0000000600000000, -0.0000002400000000, 0.0003921900000000 ] - [ 0.0000007900000000, 0.0000002600000000, 0.0003922100000000 ] - [ 0.0000007900000000, -0.0000007300000000, 0.0003921800000000 ] - [ 0.0000000500000000, 0.0000000000000000, -0.0002518200000000 ] - [ 0.0000000400000000, -0.0000001900000000, -0.0002519200000000 ] - [ 0.0000002100000000, -0.0000001000000000, -0.0002518700000000 ] - [ 0.0000004000000000, -0.0000001000000000, -0.0002518800000000 ] - [ -0.0000004600000000, 0.0000000700000000, 0.0004356000000000 ] - [ 0.0000000200000000, 0.0000000600000000, 0.0004356000000000 ] - [ -0.0000004600000000, 0.0000000700000000, 0.0004356700000000 ] - [ -0.0000004700000000, 0.0000000600000000, 0.0004355200000000 ] - [ -0.0000247300000000, 0.0000004200000000, 0.0004350200000000 ] - [ -0.0002362600000000, 0.0000004000000000, 0.0004332900000000 ] - [ -0.0000048200000000, -0.0000114100000000, 0.0003882300000000 ] - [ -0.0000049100000000, 0.0000115200000000, 0.0004802400000000 ] - [ -0.0000121300000000, 0.0000892600000000, -0.0007112800000000 ] - [ -0.0000114900000000, -0.0000895600000000, -0.0005904300000000 ] - [ 0.0001430500000000, -0.0000003200000000, -0.0006509500000000 ] - [ -0.0001106500000000, 0.0000000800000000, -0.0006507000000000 ] - [ 0.0000029700000000, -0.0000002700000000, 0.0003361100000000 ] - [ -0.0000021300000000, -0.0000002800000000, 0.0003361000000000 ] - [ -0.0000001700000000, 0.0000008500000000, 0.0003353400000000 ] - [ -0.0000001600000000, -0.0000014100000000, 0.0003368800000000 ] - [ -0.0000006700000000, 0.0000003600000000, -0.0000148300000000 ] - [ -0.0000006600000000, 0.0000000300000000, -0.0000162700000000 ] - [ -0.0000003900000000, 0.0000002000000000, -0.0000155300000000 ] - [ -0.0000008000000000, 0.0000002000000000, -0.0000155400000000 ] - [ -0.0000003600000000, 0.0000007300000000, -0.0003621400000000 ] - [ -0.0000003700000000, -0.0000004200000000, -0.0003674600000000 ] - [ 0.0000006300000000, 0.0000001600000000, -0.0003648100000000 ] - [ -0.0000012700000000, 0.0000001500000000, -0.0003648100000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000200000000, 0.0005154100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005153500000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0005154100000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0005154100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001068400000000 ] - [ 0.0000000000000000, -0.0001948300000000, 0.0000943200000000 ] - [ 0.0001687300000000, 0.0000974200000000, 0.0000943200000000 ] - [ -0.0001687300000000, 0.0000974200000000, 0.0000943200000000 ] - [ 0.0000000000000000, 0.0000051700000000, 0.0002712000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002668700000000 ] - [ 0.0000044800000000, -0.0000025900000000, 0.0002712000000000 ] - [ -0.0000044800000000, -0.0000025900000000, 0.0002712000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0330983600000000 ] - [ 0.0000000000000000, -0.0047185700000000, -0.0095158200000000 ] - [ 0.0040864000000000, 0.0023592800000000, -0.0095158200000000 ] - [ -0.0040864000000000, 0.0023592800000000, -0.0095158200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005533200000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0005516900000000 ] - [ -0.0000000600000000, -0.0000000300000000, 0.0005516900000000 ] - [ 0.0000000600000000, -0.0000000300000000, 0.0005516900000000 ] - [ 0.0000645300000000, -0.0000372600000000, 0.0010522800000000 ] - [ -0.0000645300000000, -0.0000372600000000, 0.0010522800000000 ] - [ 0.0000000000000000, 0.0000745100000000, 0.0010522800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009112200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004331200000000 ] - [ 0.0000000000000000, -0.0000001300000000, 0.0004382800000000 ] - [ 0.0000001200000000, 0.0000000700000000, 0.0004382800000000 ] - [ -0.0000001200000000, 0.0000000700000000, 0.0004382800000000 ] - [ 0.0000000000000000, 0.0000016800000000, 0.0000507500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000477300000000 ] - [ 0.0000014500000000, -0.0000008400000000, 0.0000507500000000 ] - [ -0.0000014500000000, -0.0000008400000000, 0.0000507500000000 ] - [ -0.0060487700000000, 0.0034922600000000, 0.0082563300000000 ] - [ 0.0060487700000000, 0.0034922600000000, 0.0082563300000000 ] - [ 0.0000000000000000, -0.0069845200000000, 0.0082563300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022212600000000 ] - [ 0.0000000000000000, -0.0000002900000000, 0.0000776500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000799900000000 ] - [ -0.0000002500000000, 0.0000001500000000, 0.0000776500000000 ] - [ 0.0000002500000000, 0.0000001500000000, 0.0000776500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007849700000000 ] - [ 0.0000000000000000, 0.0000126700000000, -0.0006638800000000 ] - [ -0.0000109700000000, -0.0000063300000000, -0.0006638800000000 ] - [ 0.0000109700000000, -0.0000063300000000, -0.0006638800000000 ] - [ 0.0000007500000000, -0.0000004300000000, 0.0001165400000000 ] - [ -0.0000007500000000, -0.0000004300000000, 0.0001165400000000 ] - [ 0.0000000000000000, 0.0000008600000000, 0.0001165400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001104500000000 ] - [ -0.0000002000000000, 0.0000001200000000, -0.0002077700000000 ] - [ 0.0000002000000000, 0.0000001200000000, -0.0002077700000000 ] - [ 0.0000000000000000, -0.0000002300000000, -0.0002077700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002050400000000 ] - [ 0.0000000000000000, -0.0071149600000000, 0.0093205000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032018900000000 ] - [ -0.0061617300000000, 0.0035574800000000, 0.0093205000000000 ] - [ 0.0061617300000000, 0.0035574800000000, 0.0093205000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000188900000000 ] - [ 0.0000000000000000, -0.0000007900000000, 0.0000321800000000 ] - [ 0.0000006900000000, 0.0000004000000000, 0.0000321800000000 ] - [ -0.0000006900000000, 0.0000004000000000, 0.0000321800000000 ] - [ 0.0000000000000000, 0.0000830300000000, -0.0004479200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004956100000000 ] - [ 0.0000719000000000, -0.0000415100000000, -0.0004479200000000 ] - [ -0.0000719000000000, -0.0000415100000000, -0.0004479200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002379000000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0002393800000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0002393800000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0002393800000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0004091300000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0004091300000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0004091300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004081900000000 ] - [ 0.0000000000000000, 0.0000000900000000, 0.0002814400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002823500000000 ] - [ 0.0000000800000000, -0.0000000500000000, 0.0002814400000000 ] - [ -0.0000000800000000, -0.0000000500000000, 0.0002814400000000 ] - [ 0.0000000000000000, 0.0000022400000000, 0.0004203600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000843000000000 ] - [ 0.0000019400000000, -0.0000011200000000, 0.0004203600000000 ] - [ -0.0000019400000000, -0.0000011200000000, 0.0004203600000000 ] - [ -0.0000930900000000, 0.0000537400000000, -0.0008161400000000 ] - [ 0.0000930900000000, 0.0000537400000000, -0.0008161400000000 ] - [ 0.0000000000000000, -0.0001074900000000, -0.0008161400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007900400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001823500000000 ] - [ 0.0000000000000000, 0.0000013400000000, 0.0001824300000000 ] - [ -0.0000011600000000, -0.0000006700000000, 0.0001824300000000 ] - [ 0.0000011600000000, -0.0000006700000000, 0.0001824300000000 ] - [ 0.0000007300000000, -0.0000004200000000, -0.0001729500000000 ] - [ -0.0000007300000000, -0.0000004200000000, -0.0001729500000000 ] - [ 0.0000000000000000, 0.0000008500000000, -0.0001729500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001720100000000 ] - [ 0.0000015600000000, -0.0000009000000000, -0.0005226800000000 ] - [ -0.0000015600000000, -0.0000009000000000, -0.0005226800000000 ] - [ 0.0000000000000000, 0.0000018100000000, -0.0005226800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005192900000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000011100000000, -0.0001067200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001051600000000 ] - [ 0.0000009600000000, -0.0000005500000000, -0.0001067200000000 ] - [ -0.0000009600000000, -0.0000005500000000, -0.0001067200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004661900000000 ] - [ 0.0000000000000000, 0.0001924100000000, -0.0006626200000000 ] - [ -0.0001666300000000, -0.0000962000000000, -0.0006626200000000 ] - [ 0.0001666300000000, -0.0000962000000000, -0.0006626200000000 ] - [ 0.0000000000000000, -0.0000051200000000, -0.0003525500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003483200000000 ] - [ -0.0000044400000000, 0.0000025600000000, -0.0003525500000000 ] - [ 0.0000044400000000, 0.0000025600000000, -0.0003525500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0324809300000000 ] - [ 0.0000000000000000, 0.0047186600000000, 0.0089055800000000 ] - [ -0.0040864800000000, -0.0023593300000000, 0.0089055800000000 ] - [ 0.0040864800000000, -0.0023593300000000, 0.0089055800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000722000000000 ] - [ 0.0000000000000000, -0.0000000600000000, -0.0000710200000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0000710200000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0000710200000000 ] - [ -0.0000623900000000, 0.0000360200000000, 0.0003316500000000 ] - [ 0.0000623900000000, 0.0000360200000000, 0.0003316500000000 ] - [ 0.0000000000000000, -0.0000720500000000, 0.0003316500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004715600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001790400000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0001847500000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0001847500000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0001847500000000 ] - [ 0.0000000000000000, -0.0000016500000000, -0.0005780600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005750300000000 ] - [ -0.0000014300000000, 0.0000008200000000, -0.0005780600000000 ] - [ 0.0000014300000000, 0.0000008200000000, -0.0005780600000000 ] - [ 0.0062460700000000, -0.0036061700000000, -0.0097393600000000 ] - [ -0.0062460700000000, -0.0036061700000000, -0.0097393600000000 ] - [ 0.0000000000000000, 0.0072123400000000, -0.0097393600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036127000000000 ] - [ 0.0000000000000000, 0.0000003000000000, 0.0003877300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003853800000000 ] - [ 0.0000002600000000, -0.0000001500000000, 0.0003877300000000 ] - [ -0.0000002600000000, -0.0000001500000000, 0.0003877300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004572000000000 ] - [ 0.0000000000000000, -0.0000132000000000, -0.0005753500000000 ] - [ 0.0000114400000000, 0.0000066000000000, -0.0005753500000000 ] - [ -0.0000114400000000, 0.0000066000000000, -0.0005753500000000 ] - [ -0.0000007500000000, 0.0000004300000000, 0.0004316900000000 ] - [ 0.0000007500000000, 0.0000004300000000, 0.0004316900000000 ] - [ 0.0000000000000000, -0.0000008700000000, 0.0004316900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004377100000000 ] - [ 0.0000002000000000, -0.0000001100000000, 0.0001072700000000 ] - [ -0.0000002000000000, -0.0000001100000000, 0.0001072700000000 ] - [ 0.0000000000000000, 0.0000002300000000, 0.0001072700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001045700000000 ] - [ 0.0000000000000000, 0.0068872700000000, -0.0086495500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026227800000000 ] - [ 0.0059645500000000, -0.0034436400000000, -0.0086495500000000 ] - [ -0.0059645500000000, -0.0034436400000000, -0.0086495500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003475200000000 ] - [ 0.0000000000000000, 0.0000008000000000, 0.0003344300000000 ] - [ -0.0000007000000000, -0.0000004000000000, 0.0003344300000000 ] - [ 0.0000007000000000, -0.0000004000000000, 0.0003344300000000 ] - [ 0.0000000000000000, -0.0000824500000000, -0.0001510900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001021000000000 ] - [ -0.0000714100000000, 0.0000412300000000, -0.0001510900000000 ] - [ 0.0000714100000000, 0.0000412300000000, -0.0001510900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005476800000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0005461800000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0005461800000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0005461800000000 ] - [ 0.0000000100000000, -0.0000000100000000, -0.0000947600000000 ] - [ -0.0000000100000000, -0.0000000100000000, -0.0000947600000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0000947600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000956800000000 ] - [ 0.0000000000000000, -0.0000000900000000, 0.0005909600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005900600000000 ] - [ -0.0000000800000000, 0.0000000400000000, 0.0005909600000000 ] - [ 0.0000000800000000, 0.0000000400000000, 0.0005909600000000 ] - [ 0.0000000000000000, -0.0000019900000000, 0.0004504000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007817900000000 ] - [ -0.0000017200000000, 0.0000009900000000, 0.0004504000000000 ] - [ 0.0000017200000000, 0.0000009900000000, 0.0004504000000000 ] - [ 0.0000925600000000, -0.0000534400000000, -0.0004861200000000 ] - [ -0.0000925600000000, -0.0000534400000000, -0.0004861200000000 ] - [ 0.0000000000000000, 0.0001068800000000, -0.0004861200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005110200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004912100000000 ] - [ 0.0000000000000000, -0.0000013200000000, 0.0004909700000000 ] - [ 0.0000011500000000, 0.0000006600000000, 0.0004909700000000 ] - [ -0.0000011500000000, 0.0000006600000000, 0.0004909700000000 ] - [ -0.0000007300000000, 0.0000004200000000, 0.0001418500000000 ] - [ 0.0000007300000000, 0.0000004200000000, 0.0001418500000000 ] - [ 0.0000000000000000, -0.0000008500000000, 0.0001418500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001409000000000 ] - [ -0.0000015300000000, 0.0000008800000000, -0.0002071700000000 ] - [ 0.0000015300000000, 0.0000008800000000, -0.0002071700000000 ] - [ 0.0000000000000000, -0.0000017600000000, -0.0002071700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002106100000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002786100000000, -0.0000004500000000, 0.0002047100000000 ] - [ 0.0002585900000000, 0.0000005700000000, 0.0002053700000000 ] - [ 0.0000247800000000, -0.0001757400000000, 0.0001420900000000 ] - [ 0.0000264800000000, 0.0001755700000000, 0.0002682700000000 ] - [ -0.0000010300000000, -0.0000000300000000, -0.0002843700000000 ] - [ -0.0000016600000000, 0.0000000000000000, -0.0002843500000000 ] - [ -0.0000009500000000, 0.0000004300000000, -0.0002843200000000 ] - [ -0.0000009200000000, -0.0000004100000000, -0.0002843500000000 ] - [ -0.0000010800000000, -0.0000000100000000, -0.0000407200000000 ] - [ -0.0000009300000000, -0.0000000100000000, -0.0000407300000000 ] - [ -0.0000007900000000, -0.0000001800000000, -0.0000407000000000 ] - [ -0.0000007900000000, 0.0000001500000000, -0.0000407400000000 ] - [ 0.0000009100000000, -0.0000000500000000, -0.0003052200000000 ] - [ -0.0000005900000000, -0.0000000600000000, -0.0003051400000000 ] - [ -0.0000006000000000, -0.0000000700000000, -0.0003052000000000 ] - [ -0.0000005600000000, -0.0000000900000000, -0.0003050900000000 ] - [ -0.0336764500000000, -0.0000001800000000, 0.0002394500000000 ] - [ 0.0114381200000000, 0.0000008600000000, 0.0002398100000000 ] - [ 0.0003798500000000, -0.0063838900000000, 0.0043241200000000 ] - [ 0.0003795800000000, 0.0063828200000000, -0.0038432600000000 ] - [ -0.0000012300000000, -0.0000035500000000, 0.0006883000000000 ] - [ -0.0000012100000000, 0.0000036600000000, 0.0006950500000000 ] - [ -0.0000074600000000, 0.0000000500000000, 0.0006916700000000 ] - [ 0.0000043500000000, 0.0000000600000000, 0.0006916700000000 ] - [ -0.0000074500000000, -0.0000000200000000, 0.0001267000000000 ] - [ 0.0000075700000000, -0.0000000300000000, 0.0001266800000000 ] - [ -0.0000005400000000, -0.0000046900000000, 0.0001293200000000 ] - [ -0.0000005300000000, 0.0000046800000000, 0.0001240700000000 ] - [ -0.0002790200000000, -0.0000000900000000, -0.0002635100000000 ] - [ 0.0002591000000000, 0.0000001000000000, -0.0002637100000000 ] - [ 0.0000255800000000, -0.0001759900000000, -0.0005017800000000 ] - [ 0.0000259100000000, 0.0001759300000000, -0.0000259600000000 ] - [ -0.0000005200000000, -0.0000001700000000, -0.0006966800000000 ] - [ -0.0000005100000000, -0.0000001800000000, -0.0006968400000000 ] - [ -0.0000005000000000, -0.0000001800000000, -0.0006967600000000 ] - [ -0.0000000300000000, -0.0000001800000000, -0.0006967600000000 ] - [ 0.0000007800000000, 0.0000000900000000, 0.0002323400000000 ] - [ -0.0000025200000000, 0.0000001000000000, 0.0002323200000000 ] - [ -0.0000009400000000, 0.0000010900000000, 0.0002364600000000 ] - [ -0.0000009300000000, -0.0000009000000000, 0.0002281900000000 ] - [ 0.0000022100000000, 0.0000003200000000, -0.0006200900000000 ] - [ -0.0000028900000000, 0.0000003000000000, -0.0006200700000000 ] - [ -0.0000009300000000, 0.0000014400000000, -0.0006208500000000 ] - [ -0.0000009400000000, -0.0000008200000000, -0.0006193100000000 ] - [ -0.0000039700000000, -0.0000990800000000, 0.0002771800000000 ] - [ -0.0000047100000000, 0.0000996400000000, 0.0002712500000000 ] - [ -0.0001765800000000, 0.0000003700000000, 0.0002744800000000 ] - [ 0.0002064900000000, 0.0000002700000000, 0.0002741300000000 ] - [ 0.0058664300000000, -0.0032859100000000, -0.0080969300000000 ] - [ 0.0056167800000000, 0.0030982400000000, 0.0077207100000000 ] - [ 0.0002137400000000, -0.0000259800000000, -0.0000266600000000 ] - [ -0.0009366600000000, -0.0000032000000000, -0.0000508200000000 ] - [ -0.0000006900000000, 0.0000001400000000, 0.0002903100000000 ] - [ -0.0000009000000000, 0.0000001400000000, 0.0002903200000000 ] - [ -0.0000009000000000, 0.0000002500000000, 0.0002903700000000 ] - [ -0.0000009000000000, 0.0000000200000000, 0.0002902800000000 ] - [ -0.0000003200000000, -0.0000002800000000, 0.0001829400000000 ] - [ -0.0000007100000000, -0.0000002700000000, 0.0001829400000000 ] - [ -0.0000015300000000, -0.0000007500000000, 0.0001828200000000 ] - [ -0.0000015400000000, 0.0000002100000000, 0.0001830600000000 ] - [ -0.0000027800000000, -0.0000003100000000, -0.0002997100000000 ] - [ -0.0000003800000000, -0.0000003200000000, -0.0002997000000000 ] - [ -0.0000006100000000, -0.0000015600000000, -0.0003082300000000 ] - [ -0.0000006000000000, 0.0000009500000000, -0.0002911800000000 ] - [ 0.0000066400000000, -0.0000001400000000, 0.0003923300000000 ] - [ 0.0000055700000000, -0.0000004300000000, 0.0003928300000000 ] - [ -0.0000217500000000, -0.0000161400000000, 0.0002332300000000 ] - [ -0.0000223000000000, 0.0000157300000000, 0.0005517100000000 ] - [ 0.0000005500000000, -0.0000011400000000, -0.0002569300000000 ] - [ 0.0000002300000000, 0.0000007600000000, -0.0002467700000000 ] - [ -0.0000009900000000, 0.0000003400000000, -0.0002517500000000 ] - [ -0.0000021800000000, -0.0000001000000000, -0.0002515700000000 ] - [ 0.0002295900000000, 0.0000261500000000, 0.0004124600000000 ] - [ -0.0009379100000000, 0.0000031400000000, 0.0004365400000000 ] - [ 0.0057212300000000, -0.0031494200000000, -0.0073584000000000 ] - [ 0.0059709900000000, 0.0033371100000000, 0.0085068300000000 ] - [ -0.0000008500000000, 0.0000002400000000, 0.0004341600000000 ] - [ -0.0000012500000000, 0.0000002300000000, 0.0004341700000000 ] - [ -0.0000011100000000, 0.0000003900000000, 0.0004348900000000 ] - [ -0.0000011300000000, 0.0000000700000000, 0.0004334600000000 ] - [ -0.0000007200000000, 0.0000000500000000, -0.0006497900000000 ] - [ -0.0000007100000000, -0.0000003100000000, -0.0006512300000000 ] - [ -0.0000003900000000, -0.0000001300000000, -0.0006505100000000 ] - [ -0.0000008400000000, -0.0000001300000000, -0.0006505100000000 ] - [ -0.0000310500000000, -0.0000003900000000, 0.0003368200000000 ] - [ -0.0000845300000000, -0.0000002300000000, 0.0003365700000000 ] - [ 0.0000176700000000, 0.0000591300000000, 0.0005914800000000 ] - [ 0.0000179400000000, -0.0000590300000000, 0.0000823400000000 ] - [ 0.0000036000000000, -0.0000305000000000, -0.0000513400000000 ] - [ 0.0000037000000000, 0.0000311200000000, 0.0000202500000000 ] - [ -0.0000497100000000, 0.0000000400000000, -0.0000163600000000 ] - [ -0.0001473300000000, 0.0000001800000000, -0.0000145500000000 ] - [ -0.0000008900000000, 0.0000003100000000, -0.0003647300000000 ] - [ -0.0000008900000000, 0.0000000100000000, -0.0003642700000000 ] - [ -0.0000006300000000, 0.0000001500000000, -0.0003645000000000 ] - [ -0.0000009100000000, 0.0000001500000000, -0.0003645000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0002730000000000, 0.0005620300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004234800000000 ] - [ 0.0002364300000000, -0.0001365000000000, 0.0005620300000000 ] - [ -0.0002364300000000, -0.0001365000000000, 0.0005620300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000261300000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0000259800000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0000259800000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0000259800000000 ] - [ 0.0000000000000000, 0.0000002100000000, 0.0002703100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002697200000000 ] - [ 0.0000001900000000, -0.0000001100000000, 0.0002703100000000 ] - [ -0.0000001900000000, -0.0000001100000000, 0.0002703100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000073100000000 ] - [ 0.0000000000000000, 0.0000000900000000, 0.0000067200000000 ] - [ -0.0000000800000000, -0.0000000400000000, 0.0000067200000000 ] - [ 0.0000000800000000, -0.0000000400000000, 0.0000067200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0325438400000000 ] - [ 0.0000000000000000, -0.0047153300000000, -0.0089707300000000 ] - [ 0.0040836000000000, 0.0023576700000000, -0.0089707300000000 ] - [ -0.0040836000000000, 0.0023576700000000, -0.0089707300000000 ] - [ 0.0000014000000000, -0.0000008100000000, 0.0010067700000000 ] - [ -0.0000014000000000, -0.0000008100000000, 0.0010067700000000 ] - [ 0.0000000000000000, 0.0000016100000000, 0.0010067700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010037600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004418400000000 ] - [ 0.0000000000000000, -0.0000030000000000, 0.0004387700000000 ] - [ 0.0000026000000000, 0.0000015000000000, 0.0004387700000000 ] - [ -0.0000026000000000, 0.0000015000000000, 0.0004387700000000 ] - [ 0.0000000000000000, 0.0000716700000000, 0.0000966900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000426200000000 ] - [ 0.0000620700000000, -0.0000358300000000, 0.0000966900000000 ] - [ -0.0000620700000000, -0.0000358300000000, 0.0000966900000000 ] - [ 0.0000000700000000, -0.0000000400000000, -0.0008537300000000 ] - [ -0.0000000700000000, -0.0000000400000000, -0.0008537300000000 ] - [ 0.0000000000000000, 0.0000000800000000, -0.0008537300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008528000000000 ] - [ 0.0000000000000000, 0.0000008100000000, 0.0000767000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000811000000000 ] - [ 0.0000007000000000, -0.0000004000000000, 0.0000767000000000 ] - [ -0.0000007000000000, -0.0000004000000000, 0.0000767000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007748000000000 ] - [ 0.0000000000000000, 0.0000013100000000, -0.0007742800000000 ] - [ -0.0000011400000000, -0.0000006600000000, -0.0007742800000000 ] - [ 0.0000011400000000, -0.0000006600000000, -0.0007742800000000 ] - [ 0.0000712100000000, -0.0000411100000000, 0.0001259700000000 ] - [ -0.0000712100000000, -0.0000411100000000, 0.0001259700000000 ] - [ 0.0000000000000000, 0.0000822200000000, 0.0001259700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000769000000000 ] - [ -0.0059510300000000, 0.0034358300000000, 0.0088871500000000 ] - [ 0.0059510300000000, 0.0034358300000000, 0.0088871500000000 ] - [ 0.0000000000000000, -0.0068716500000000, 0.0088871500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028675900000000 ] - [ 0.0000000000000000, -0.0000002300000000, 0.0001342000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001369300000000 ] - [ -0.0000002000000000, 0.0000001200000000, 0.0001342000000000 ] - [ 0.0000002000000000, 0.0000001200000000, 0.0001342000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000267000000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0000284800000000 ] - [ -0.0000000600000000, -0.0000000400000000, 0.0000284800000000 ] - [ 0.0000000600000000, -0.0000000400000000, 0.0000284800000000 ] - [ 0.0000000000000000, 0.0000008300000000, -0.0004568700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004628100000000 ] - [ 0.0000007200000000, -0.0000004200000000, -0.0004568700000000 ] - [ -0.0000007200000000, -0.0000004200000000, -0.0004568700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003593200000000 ] - [ 0.0000000000000000, 0.0000566300000000, 0.0001910500000000 ] - [ -0.0000490400000000, -0.0000283100000000, 0.0001910500000000 ] - [ 0.0000490400000000, -0.0000283100000000, 0.0001910500000000 ] - [ 0.0000006900000000, -0.0000004000000000, -0.0004084200000000 ] - [ -0.0000006900000000, -0.0000004000000000, -0.0004084200000000 ] - [ 0.0000000000000000, 0.0000008000000000, -0.0004084200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004089200000000 ] - [ 0.0000000000000000, -0.0072295200000000, 0.0094800500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033590200000000 ] - [ -0.0062609500000000, 0.0036147600000000, 0.0094800500000000 ] - [ 0.0062609500000000, 0.0036147600000000, 0.0094800500000000 ] - [ 0.0000000000000000, 0.0000008600000000, 0.0002780300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002789200000000 ] - [ 0.0000007500000000, -0.0000004300000000, 0.0002780300000000 ] - [ -0.0000007500000000, -0.0000004300000000, 0.0002780300000000 ] - [ 0.0000007100000000, -0.0000004100000000, -0.0008077500000000 ] - [ -0.0000007100000000, -0.0000004100000000, -0.0008077500000000 ] - [ 0.0000000000000000, 0.0000008200000000, -0.0008077500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008067800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001749500000000 ] - [ 0.0000000000000000, 0.0000126800000000, 0.0002912600000000 ] - [ -0.0000109800000000, -0.0000063400000000, 0.0002912600000000 ] - [ 0.0000109800000000, -0.0000063400000000, 0.0002912600000000 ] - [ 0.0000131600000000, -0.0000076000000000, -0.0000248200000000 ] - [ -0.0000131600000000, -0.0000076000000000, -0.0000248200000000 ] - [ 0.0000000000000000, 0.0000152000000000, -0.0000248200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003663700000000 ] - [ -0.0000002100000000, 0.0000001200000000, -0.0005219300000000 ] - [ 0.0000002100000000, 0.0000001200000000, -0.0005219300000000 ] - [ 0.0000000000000000, -0.0000002400000000, -0.0005219300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005196300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0002748800000000, -0.0001533700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000126600000000 ] - [ -0.0002380500000000, 0.0001374400000000, -0.0001533700000000 ] - [ 0.0002380500000000, 0.0001374400000000, -0.0001533700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005963000000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0005949500000000 ] - [ -0.0000000400000000, -0.0000000300000000, -0.0005949500000000 ] - [ 0.0000000400000000, -0.0000000300000000, -0.0005949500000000 ] - [ 0.0000000000000000, -0.0000001900000000, -0.0003526800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003521700000000 ] - [ -0.0000001600000000, 0.0000000900000000, -0.0003526800000000 ] - [ 0.0000001600000000, 0.0000000900000000, -0.0003526800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006166100000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0006144200000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0006144200000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0006144200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0330121800000000 ] - [ 0.0000000000000000, 0.0047147200000000, 0.0094481400000000 ] - [ -0.0040830600000000, -0.0023573600000000, 0.0094481400000000 ] - [ 0.0040830600000000, -0.0023573600000000, 0.0094481400000000 ] - [ -0.0000015000000000, 0.0000008700000000, 0.0003791100000000 ] - [ 0.0000015000000000, 0.0000008700000000, 0.0003791100000000 ] - [ 0.0000000000000000, -0.0000017300000000, 0.0003791100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003821900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001884100000000 ] - [ 0.0000000000000000, 0.0000029600000000, -0.0001859900000000 ] - [ -0.0000025600000000, -0.0000014800000000, -0.0001859900000000 ] - [ 0.0000025600000000, -0.0000014800000000, -0.0001859900000000 ] - [ 0.0000000000000000, -0.0000741500000000, -0.0006244400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004839700000000 ] - [ -0.0000642200000000, 0.0000370800000000, -0.0006244400000000 ] - [ 0.0000642200000000, 0.0000370800000000, -0.0006244400000000 ] - [ -0.0000000800000000, 0.0000000500000000, -0.0005442000000000 ] - [ 0.0000000800000000, 0.0000000500000000, -0.0005442000000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0005442000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005452000000000 ] - [ 0.0000000000000000, -0.0000008100000000, 0.0003921400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003877300000000 ] - [ -0.0000007000000000, 0.0000004000000000, 0.0003921400000000 ] - [ 0.0000007000000000, 0.0000004000000000, 0.0003921400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004689700000000 ] - [ 0.0000000000000000, -0.0000013700000000, -0.0004692000000000 ] - [ 0.0000011900000000, 0.0000006900000000, -0.0004692000000000 ] - [ -0.0000011900000000, 0.0000006900000000, -0.0004692000000000 ] - [ -0.0000716700000000, 0.0000413800000000, 0.0004199800000000 ] - [ 0.0000716700000000, 0.0000413800000000, 0.0004199800000000 ] - [ 0.0000000000000000, -0.0000827500000000, 0.0004199800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004677000000000 ] - [ 0.0061480300000000, -0.0035495700000000, -0.0090784200000000 ] - [ -0.0061480300000000, -0.0035495700000000, -0.0090784200000000 ] - [ 0.0000000000000000, 0.0070991300000000, -0.0090784200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029671600000000 ] - [ 0.0000000000000000, 0.0000002600000000, 0.0004507200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004481100000000 ] - [ 0.0000002200000000, -0.0000001300000000, 0.0004507200000000 ] - [ -0.0000002200000000, -0.0000001300000000, 0.0004507200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003428000000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0003412000000000 ] - [ 0.0000000600000000, 0.0000000300000000, 0.0003412000000000 ] - [ -0.0000000600000000, 0.0000000300000000, 0.0003412000000000 ] - [ 0.0000000000000000, -0.0000008500000000, -0.0001394200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001333300000000 ] - [ -0.0000007400000000, 0.0000004300000000, -0.0001394200000000 ] - [ 0.0000007400000000, 0.0000004300000000, -0.0001394200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004300000000000 ] - [ 0.0000000000000000, -0.0000574900000000, 0.0005983600000000 ] - [ 0.0000497900000000, 0.0000287500000000, 0.0005983600000000 ] - [ -0.0000497900000000, 0.0000287500000000, 0.0005983600000000 ] - [ -0.0000004000000000, 0.0000002300000000, -0.0000991900000000 ] - [ 0.0000004000000000, 0.0000002300000000, -0.0000991900000000 ] - [ 0.0000000000000000, -0.0000004700000000, -0.0000991900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000981400000000 ] - [ 0.0000000000000000, 0.0070013200000000, -0.0085141700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0024844700000000 ] - [ 0.0060633200000000, -0.0035006600000000, -0.0085141700000000 ] - [ -0.0060633200000000, -0.0035006600000000, -0.0085141700000000 ] - [ 0.0000000000000000, -0.0000008300000000, 0.0005943800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005934700000000 ] - [ -0.0000007200000000, 0.0000004200000000, 0.0005943800000000 ] - [ 0.0000007200000000, 0.0000004200000000, 0.0005943800000000 ] - [ -0.0000007400000000, 0.0000004300000000, -0.0004973200000000 ] - [ 0.0000007400000000, 0.0000004300000000, -0.0004973200000000 ] - [ 0.0000000000000000, -0.0000008500000000, -0.0004973200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004982100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005027100000000 ] - [ 0.0000000000000000, -0.0000121700000000, 0.0003838300000000 ] - [ 0.0000105400000000, 0.0000060800000000, 0.0003838300000000 ] - [ -0.0000105400000000, 0.0000060800000000, 0.0003838300000000 ] - [ -0.0000134900000000, 0.0000077900000000, -0.0000107400000000 ] - [ 0.0000134900000000, 0.0000077900000000, -0.0000107400000000 ] - [ 0.0000000000000000, -0.0000155800000000, -0.0000107400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003355300000000 ] - [ 0.0000002000000000, -0.0000001200000000, -0.0002106700000000 ] - [ -0.0000002000000000, -0.0000001200000000, -0.0002106700000000 ] - [ 0.0000000000000000, 0.0000002300000000, -0.0002106700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002129400000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001800000000, -0.0000000500000000, 0.0002051700000000 ] - [ -0.0000002100000000, 0.0000000700000000, 0.0002052600000000 ] - [ -0.0000006600000000, 0.0000000200000000, 0.0002052000000000 ] - [ -0.0000000900000000, 0.0000000100000000, 0.0002052100000000 ] - [ -0.0000003300000000, -0.0000026900000000, -0.0002797000000000 ] - [ -0.0000003600000000, 0.0000026500000000, -0.0002886400000000 ] - [ -0.0000049800000000, 0.0000000200000000, -0.0002841500000000 ] - [ 0.0000032800000000, 0.0000000200000000, -0.0002841700000000 ] - [ -0.0000001900000000, -0.0000000400000000, -0.0000406500000000 ] - [ -0.0000002100000000, 0.0000000300000000, -0.0000404400000000 ] - [ -0.0000007200000000, 0.0000000000000000, -0.0000405300000000 ] - [ -0.0000001300000000, -0.0000000100000000, -0.0000405400000000 ] - [ 0.0000256100000000, -0.0001764800000000, -0.0002415700000000 ] - [ 0.0000273300000000, 0.0001761600000000, -0.0003686400000000 ] - [ -0.0002789400000000, -0.0000005400000000, -0.0003046400000000 ] - [ 0.0002601000000000, 0.0000004700000000, -0.0003053400000000 ] - [ -0.0000005000000000, -0.0000036100000000, 0.0002418400000000 ] - [ -0.0000005700000000, 0.0000036000000000, 0.0002391000000000 ] - [ -0.0000067800000000, -0.0000000100000000, 0.0002404500000000 ] - [ 0.0000049800000000, -0.0000000400000000, 0.0002404800000000 ] - [ -0.0337368900000000, 0.0000008700000000, 0.0006746100000000 ] - [ 0.0114627000000000, 0.0000009700000000, 0.0006913900000000 ] - [ 0.0003809000000000, -0.0063974200000000, -0.0034013700000000 ] - [ 0.0003805700000000, 0.0063965300000000, 0.0047852000000000 ] - [ 0.0000003100000000, -0.0000015300000000, 0.0001253800000000 ] - [ -0.0000006400000000, 0.0000009300000000, 0.0001268200000000 ] - [ -0.0000022900000000, 0.0000000000000000, 0.0001268700000000 ] - [ -0.0000006100000000, -0.0000000200000000, 0.0001268700000000 ] - [ 0.0000047200000000, -0.0002362100000000, -0.0004127500000000 ] - [ 0.0000044400000000, 0.0002360800000000, -0.0001139500000000 ] - [ -0.0004554600000000, 0.0000001600000000, -0.0002635300000000 ] - [ 0.0004135900000000, 0.0000000300000000, -0.0002634200000000 ] - [ 0.0000066100000000, -0.0000000600000000, -0.0006963900000000 ] - [ 0.0000068500000000, -0.0000003600000000, -0.0006969100000000 ] - [ -0.0000211900000000, -0.0000164900000000, -0.0005362900000000 ] - [ -0.0000217500000000, 0.0000162100000000, -0.0008568000000000 ] - [ -0.0000006000000000, -0.0000000800000000, 0.0002331800000000 ] - [ -0.0000006000000000, 0.0000002800000000, 0.0002317400000000 ] - [ -0.0000007300000000, 0.0000000900000000, 0.0002324600000000 ] - [ -0.0000002800000000, 0.0000001000000000, 0.0002324500000000 ] - [ 0.0057118200000000, -0.0031409300000000, 0.0071612700000000 ] - [ 0.0059612900000000, 0.0033289200000000, -0.0086774800000000 ] - [ 0.0002344800000000, 0.0000264100000000, -0.0005964500000000 ] - [ -0.0009426400000000, 0.0000034000000000, -0.0006205600000000 ] - [ -0.0000496000000000, 0.0000002300000000, 0.0002740300000000 ] - [ -0.0000035700000000, 0.0000004900000000, 0.0002742300000000 ] - [ 0.0000406900000000, 0.0000261600000000, 0.0000363900000000 ] - [ 0.0000409000000000, -0.0000250200000000, 0.0005114000000000 ] - [ -0.0000010100000000, -0.0000000300000000, -0.0000497500000000 ] - [ 0.0000016400000000, -0.0000000400000000, -0.0000497800000000 ] - [ 0.0000002200000000, -0.0000008600000000, -0.0000507800000000 ] - [ 0.0000002200000000, 0.0000007900000000, -0.0000487500000000 ] - [ 0.0000042500000000, 0.0000314600000000, 0.0002556100000000 ] - [ 0.0000040900000000, -0.0000309100000000, 0.0003261000000000 ] - [ -0.0001483500000000, 0.0000001100000000, 0.0002898000000000 ] - [ -0.0000498300000000, -0.0000000100000000, 0.0002916300000000 ] - [ 0.0000001200000000, -0.0000001000000000, 0.0001830900000000 ] - [ 0.0000001100000000, -0.0000004400000000, 0.0001830700000000 ] - [ 0.0000004000000000, -0.0000002600000000, 0.0001830700000000 ] - [ 0.0000002300000000, -0.0000002600000000, 0.0001830800000000 ] - [ 0.0056230600000000, 0.0030981100000000, -0.0080788100000000 ] - [ 0.0058735600000000, -0.0032868700000000, 0.0077568100000000 ] - [ -0.0009441600000000, -0.0000034800000000, -0.0002986200000000 ] - [ 0.0002197300000000, -0.0000263900000000, -0.0003227900000000 ] - [ 0.0000001800000000, -0.0000001800000000, 0.0003926300000000 ] - [ 0.0000001600000000, -0.0000003100000000, 0.0003926500000000 ] - [ 0.0000002700000000, -0.0000002300000000, 0.0003926400000000 ] - [ 0.0000004700000000, -0.0000002400000000, 0.0003926500000000 ] - [ 0.0000002200000000, -0.0000001000000000, -0.0002513600000000 ] - [ 0.0000000100000000, -0.0000001000000000, -0.0002513800000000 ] - [ 0.0000008900000000, 0.0000004100000000, -0.0002513800000000 ] - [ 0.0000008800000000, -0.0000006000000000, -0.0002513800000000 ] - [ -0.0000003200000000, -0.0000006800000000, 0.0004402300000000 ] - [ -0.0000003100000000, 0.0000008100000000, 0.0004318800000000 ] - [ -0.0000016500000000, 0.0000000600000000, 0.0004360500000000 ] - [ 0.0000009700000000, 0.0000000600000000, 0.0004360700000000 ] - [ 0.0000002200000000, 0.0000017800000000, 0.0004294800000000 ] - [ 0.0000005200000000, -0.0000015000000000, 0.0004397300000000 ] - [ -0.0000011700000000, 0.0000002500000000, 0.0004343300000000 ] - [ -0.0000021900000000, 0.0000006800000000, 0.0004345200000000 ] - [ 0.0000038800000000, -0.0000001200000000, -0.0006503400000000 ] - [ -0.0000027700000000, -0.0000001300000000, -0.0006503200000000 ] - [ -0.0000001600000000, 0.0000013800000000, -0.0006506600000000 ] - [ -0.0000001600000000, -0.0000016400000000, -0.0006499900000000 ] - [ -0.0000140200000000, 0.0000482600000000, 0.0001611700000000 ] - [ -0.0000142800000000, -0.0000488100000000, 0.0005119200000000 ] - [ 0.0000699300000000, -0.0000002200000000, 0.0003368200000000 ] - [ -0.0000595100000000, -0.0000003300000000, 0.0003365100000000 ] - [ -0.0000001300000000, 0.0000002000000000, -0.0000150700000000 ] - [ -0.0000004000000000, 0.0000001800000000, -0.0000150600000000 ] - [ -0.0000008000000000, -0.0000000400000000, -0.0000151900000000 ] - [ -0.0000008100000000, 0.0000004300000000, -0.0000149300000000 ] - [ -0.0000002300000000, 0.0000001500000000, -0.0003643100000000 ] - [ -0.0000005600000000, 0.0000001600000000, -0.0003643200000000 ] - [ -0.0000014200000000, -0.0000003500000000, -0.0003642300000000 ] - [ -0.0000014300000000, 0.0000006500000000, -0.0003644100000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000000600000000, -0.0000000400000000, 0.0005189800000000 ] - [ 0.0000000600000000, -0.0000000400000000, 0.0005189800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005185900000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0005189800000000 ] - [ -0.0000001900000000, 0.0000001100000000, 0.0000305400000000 ] - [ 0.0000001900000000, 0.0000001100000000, 0.0000305400000000 ] - [ 0.0000000000000000, -0.0000002200000000, 0.0000305400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000262500000000 ] - [ -0.0000001100000000, -0.0000000600000000, 0.0002730800000000 ] - [ 0.0000001100000000, -0.0000000600000000, 0.0002730800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002726800000000 ] - [ 0.0000000000000000, 0.0000001300000000, 0.0002730800000000 ] - [ -0.0002393000000000, 0.0001381600000000, 0.0000557300000000 ] - [ 0.0002393000000000, 0.0001381600000000, 0.0000557300000000 ] - [ 0.0000000000000000, -0.0002763300000000, 0.0000557300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000859600000000 ] - [ -0.0000033900000000, 0.0000019600000000, 0.0005549800000000 ] - [ 0.0000033900000000, 0.0000019600000000, 0.0005549800000000 ] - [ 0.0000000000000000, -0.0000039200000000, 0.0005549800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005520000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0320463700000000 ] - [ 0.0000000000000000, 0.0047265700000000, -0.0085314000000000 ] - [ -0.0040933300000000, -0.0023632800000000, -0.0085314000000000 ] - [ 0.0040933300000000, -0.0023632800000000, -0.0085314000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004402500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004402500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004402500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004402000000000 ] - [ -0.0001503900000000, -0.0000868300000000, 0.0000712600000000 ] - [ 0.0001503900000000, -0.0000868300000000, 0.0000712600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000334000000000 ] - [ 0.0000000000000000, 0.0001736500000000, 0.0000712600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007328800000000 ] - [ 0.0000000000000000, -0.0000575400000000, -0.0009025300000000 ] - [ 0.0000498300000000, 0.0000287700000000, -0.0009025300000000 ] - [ -0.0000498300000000, 0.0000287700000000, -0.0009025300000000 ] - [ 0.0000007200000000, 0.0000004100000000, 0.0000762700000000 ] - [ -0.0000007200000000, 0.0000004100000000, 0.0000762700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000772100000000 ] - [ 0.0000000000000000, -0.0000008300000000, 0.0000762700000000 ] - [ 0.0060594000000000, -0.0034983900000000, 0.0083230500000000 ] - [ -0.0060594000000000, -0.0034983900000000, 0.0083230500000000 ] - [ 0.0000000000000000, 0.0069967900000000, 0.0083230500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023037600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001012300000000 ] - [ 0.0000000000000000, -0.0000045600000000, 0.0002020200000000 ] - [ 0.0000039400000000, 0.0000022800000000, 0.0002020200000000 ] - [ -0.0000039400000000, 0.0000022800000000, 0.0002020200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002133800000000 ] - [ 0.0000000000000000, 0.0000002600000000, -0.0002064100000000 ] - [ -0.0000002200000000, -0.0000001300000000, -0.0002064100000000 ] - [ 0.0000002200000000, -0.0000001300000000, -0.0002064100000000 ] - [ 0.0000138000000000, 0.0000079700000000, 0.0002829000000000 ] - [ -0.0000138000000000, 0.0000079700000000, 0.0002829000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000658000000000 ] - [ 0.0000000000000000, -0.0000159300000000, 0.0002829000000000 ] - [ -0.0000002100000000, 0.0000001200000000, 0.0000268300000000 ] - [ 0.0000002100000000, 0.0000001200000000, 0.0000268300000000 ] - [ 0.0000000000000000, -0.0000002400000000, 0.0000268300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000292800000000 ] - [ -0.0061601600000000, -0.0035565700000000, 0.0087631200000000 ] - [ 0.0061601600000000, -0.0035565700000000, 0.0087631200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026356400000000 ] - [ 0.0000000000000000, 0.0071131400000000, 0.0087631200000000 ] - [ 0.0000000800000000, -0.0000000500000000, 0.0002364800000000 ] - [ -0.0000000800000000, -0.0000000500000000, 0.0002364800000000 ] - [ 0.0000000000000000, 0.0000001000000000, 0.0002364800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002375100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004106700000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0004093400000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0004093400000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0004093400000000 ] - [ 0.0000004400000000, 0.0000002600000000, 0.0002790900000000 ] - [ -0.0000004400000000, 0.0000002600000000, 0.0002790900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002832100000000 ] - [ 0.0000000000000000, -0.0000005100000000, 0.0002790900000000 ] - [ 0.0000009700000000, 0.0000005600000000, 0.0002775900000000 ] - [ -0.0000009700000000, 0.0000005600000000, 0.0002775900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002765200000000 ] - [ 0.0000000000000000, -0.0000011200000000, 0.0002775900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008105400000000 ] - [ 0.0000000000000000, -0.0000018500000000, -0.0008088700000000 ] - [ 0.0000016000000000, 0.0000009200000000, -0.0008088700000000 ] - [ -0.0000016000000000, 0.0000009200000000, -0.0008088700000000 ] - [ 0.0000106900000000, -0.0000061700000000, 0.0001400800000000 ] - [ -0.0000106900000000, -0.0000061700000000, 0.0001400800000000 ] - [ 0.0000000000000000, 0.0000123400000000, 0.0001400800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002880200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001749700000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0001736400000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0001736400000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0001736400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005251500000000 ] - [ 0.0000000000000000, -0.0000000600000000, -0.0005233300000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0005233300000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0005233300000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000900000000, 0.0000000500000000, -0.0001102100000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0001102100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001099200000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0001102100000000 ] - [ 0.0000001700000000, -0.0000001000000000, -0.0005995800000000 ] - [ -0.0000001700000000, -0.0000001000000000, -0.0005995800000000 ] - [ 0.0000000000000000, 0.0000001900000000, -0.0005995800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005953400000000 ] - [ 0.0000001500000000, 0.0000000900000000, -0.0003557200000000 ] - [ -0.0000001500000000, 0.0000000900000000, -0.0003557200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003551800000000 ] - [ 0.0000000000000000, -0.0000001700000000, -0.0003557200000000 ] - [ 0.0002375400000000, -0.0001371400000000, -0.0006632300000000 ] - [ -0.0002375400000000, -0.0001371400000000, -0.0006632300000000 ] - [ 0.0000000000000000, 0.0002742900000000, -0.0006632300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005237600000000 ] - [ 0.0000034500000000, -0.0000019900000000, -0.0000748700000000 ] - [ -0.0000034500000000, -0.0000019900000000, -0.0000748700000000 ] - [ 0.0000000000000000, 0.0000039800000000, -0.0000748700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000719100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0334434300000000 ] - [ 0.0000000000000000, -0.0047267000000000, 0.0099145200000000 ] - [ 0.0040934400000000, 0.0023633500000000, 0.0099145200000000 ] - [ -0.0040934400000000, 0.0023633500000000, 0.0099145200000000 ] - [ 0.0000009400000000, -0.0000005400000000, -0.0001892200000000 ] - [ -0.0000009400000000, -0.0000005400000000, -0.0001892200000000 ] - [ 0.0000000000000000, 0.0000010800000000, -0.0001892200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001876200000000 ] - [ 0.0001486900000000, 0.0000858500000000, -0.0005984400000000 ] - [ -0.0001486900000000, 0.0000858500000000, -0.0005984400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005621700000000 ] - [ 0.0000000000000000, -0.0001717000000000, -0.0005984400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006613600000000 ] - [ 0.0000000000000000, 0.0000566700000000, -0.0004922500000000 ] - [ -0.0000490800000000, -0.0000283400000000, -0.0004922500000000 ] - [ 0.0000490800000000, -0.0000283400000000, -0.0004922500000000 ] - [ -0.0000007200000000, -0.0000004100000000, 0.0003888500000000 ] - [ 0.0000007200000000, -0.0000004100000000, 0.0003888500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003879100000000 ] - [ 0.0000000000000000, 0.0000008300000000, 0.0003888500000000 ] - [ -0.0062565200000000, 0.0036122000000000, -0.0096521800000000 ] - [ 0.0062565200000000, 0.0036122000000000, -0.0096521800000000 ] - [ 0.0000000000000000, -0.0072244100000000, -0.0096521800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035410600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004433800000000 ] - [ 0.0000000000000000, 0.0000050200000000, 0.0003456600000000 ] - [ -0.0000043500000000, -0.0000025100000000, 0.0003456600000000 ] - [ 0.0000043500000000, -0.0000025100000000, 0.0003456600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001119800000000 ] - [ 0.0000000000000000, -0.0000002400000000, 0.0001047900000000 ] - [ 0.0000002100000000, 0.0000001200000000, 0.0001047900000000 ] - [ -0.0000002100000000, 0.0000001200000000, 0.0001047900000000 ] - [ -0.0000134300000000, -0.0000077500000000, 0.0003000300000000 ] - [ 0.0000134300000000, -0.0000077500000000, 0.0003000300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006438700000000 ] - [ 0.0000000000000000, 0.0000155000000000, 0.0003000300000000 ] - [ 0.0000002100000000, -0.0000001200000000, 0.0003389500000000 ] - [ -0.0000002100000000, -0.0000001200000000, 0.0003389500000000 ] - [ 0.0000000000000000, 0.0000002400000000, 0.0003389500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003366000000000 ] - [ 0.0059626800000000, 0.0034425600000000, -0.0092717500000000 ] - [ -0.0059626800000000, 0.0034425600000000, -0.0092717500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032360200000000 ] - [ 0.0000000000000000, -0.0068851100000000, -0.0092717500000000 ] - [ -0.0000001000000000, 0.0000000600000000, 0.0005493100000000 ] - [ 0.0000001000000000, 0.0000000600000000, 0.0005493100000000 ] - [ 0.0000000000000000, -0.0000001100000000, 0.0005493100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005482500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000935500000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0000947100000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0000947100000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0000947100000000 ] - [ -0.0000004400000000, -0.0000002500000000, 0.0005936800000000 ] - [ 0.0000004400000000, -0.0000002500000000, 0.0005936800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005896900000000 ] - [ 0.0000000000000000, 0.0000005100000000, 0.0005936800000000 ] - [ -0.0000012700000000, -0.0000007300000000, 0.0005916200000000 ] - [ 0.0000012700000000, -0.0000007300000000, 0.0005916200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005921600000000 ] - [ 0.0000000000000000, 0.0000014600000000, 0.0005916200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004914500000000 ] - [ 0.0000000000000000, 0.0000018600000000, -0.0004929900000000 ] - [ -0.0000016100000000, -0.0000009300000000, -0.0004929900000000 ] - [ 0.0000016100000000, -0.0000009300000000, -0.0004929900000000 ] - [ -0.0000099100000000, 0.0000057200000000, 0.0005337900000000 ] - [ 0.0000099100000000, 0.0000057200000000, 0.0005337900000000 ] - [ 0.0000000000000000, -0.0000114500000000, 0.0005337900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003864100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001435300000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0001421800000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0001421800000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0001421800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002041200000000 ] - [ 0.0000000000000000, 0.0000000600000000, -0.0002061600000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0002061600000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0002061600000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002783100000000, -0.0000000800000000, 0.0002048500000000 ] - [ 0.0002588400000000, 0.0000000900000000, 0.0002046600000000 ] - [ 0.0000257200000000, -0.0001756800000000, -0.0000328000000000 ] - [ 0.0000260000000000, 0.0001755500000000, 0.0004418300000000 ] - [ -0.0000071200000000, -0.0000000300000000, -0.0002847200000000 ] - [ 0.0000078000000000, 0.0000000000000000, -0.0002847700000000 ] - [ -0.0000003400000000, -0.0000046700000000, -0.0002821100000000 ] - [ -0.0000003000000000, 0.0000047100000000, -0.0002873700000000 ] - [ -0.0002784600000000, -0.0000004700000000, -0.0000413500000000 ] - [ 0.0002588200000000, 0.0000005700000000, -0.0000406800000000 ] - [ 0.0000249700000000, -0.0001757900000000, -0.0001039800000000 ] - [ 0.0000267100000000, 0.0001755800000000, 0.0000222500000000 ] - [ 0.0000005800000000, -0.0000001000000000, -0.0003055300000000 ] - [ -0.0000002400000000, -0.0000000400000000, -0.0003055900000000 ] - [ -0.0000003700000000, -0.0000001500000000, -0.0003054700000000 ] - [ -0.0000003300000000, -0.0000000200000000, -0.0003057000000000 ] - [ -0.0000072300000000, 0.0000000200000000, 0.0002399400000000 ] - [ 0.0000077700000000, -0.0000000100000000, 0.0002399200000000 ] - [ -0.0000003100000000, -0.0000047000000000, 0.0002425400000000 ] - [ -0.0000003400000000, 0.0000046400000000, 0.0002372700000000 ] - [ -0.0000011400000000, -0.0000009000000000, 0.0006912100000000 ] - [ -0.0000002000000000, 0.0000015400000000, 0.0006928300000000 ] - [ -0.0000027900000000, 0.0000000600000000, 0.0006912500000000 ] - [ -0.0000011400000000, 0.0000000700000000, 0.0006912500000000 ] - [ -0.0336984500000000, -0.0000007200000000, 0.0001571300000000 ] - [ 0.0114388900000000, 0.0000008400000000, 0.0001258400000000 ] - [ 0.0003800800000000, -0.0063841600000000, 0.0042103500000000 ] - [ 0.0003798500000000, 0.0063831600000000, -0.0039573600000000 ] - [ -0.0000008400000000, 0.0000000300000000, -0.0002640300000000 ] - [ -0.0000007300000000, 0.0000000200000000, -0.0002640200000000 ] - [ -0.0000005400000000, -0.0000001200000000, -0.0002642300000000 ] - [ -0.0000005600000000, 0.0000002100000000, -0.0002638500000000 ] - [ -0.0000002700000000, 0.0000000000000000, -0.0006982400000000 ] - [ -0.0000002800000000, -0.0000003300000000, -0.0006977800000000 ] - [ 0.0000000100000000, -0.0000001800000000, -0.0006980000000000 ] - [ -0.0000003300000000, -0.0000001800000000, -0.0006979900000000 ] - [ 0.0002304200000000, 0.0000261800000000, 0.0002093200000000 ] - [ -0.0009378100000000, 0.0000031700000000, 0.0002334200000000 ] - [ 0.0057191000000000, -0.0031476700000000, -0.0075591500000000 ] - [ 0.0059688200000000, 0.0033354000000000, 0.0083012800000000 ] - [ -0.0000004300000000, 0.0000003100000000, -0.0006210200000000 ] - [ -0.0000006500000000, 0.0000003100000000, -0.0006210200000000 ] - [ 0.0000002100000000, 0.0000008100000000, -0.0006210000000000 ] - [ 0.0000002000000000, -0.0000001800000000, -0.0006210400000000 ] - [ -0.0000006300000000, 0.0000003200000000, 0.0002734600000000 ] - [ -0.0000006200000000, 0.0000003600000000, 0.0002732800000000 ] - [ -0.0000006600000000, 0.0000003300000000, 0.0002733900000000 ] - [ -0.0000000600000000, 0.0000003300000000, 0.0002733700000000 ] - [ -0.0000001300000000, 0.0000014800000000, -0.0000477100000000 ] - [ -0.0000001300000000, -0.0000015600000000, -0.0000539700000000 ] - [ 0.0000025000000000, -0.0000000300000000, -0.0000508300000000 ] - [ -0.0000027800000000, -0.0000000300000000, -0.0000508300000000 ] - [ -0.0000005400000000, 0.0000001500000000, 0.0002909400000000 ] - [ -0.0000004000000000, 0.0000001400000000, 0.0002909700000000 ] - [ -0.0000007300000000, 0.0000002400000000, 0.0002910100000000 ] - [ -0.0000007300000000, 0.0000000300000000, 0.0002909200000000 ] - [ 0.0000068700000000, -0.0000001600000000, 0.0001833200000000 ] - [ 0.0000057800000000, -0.0000004500000000, 0.0001838300000000 ] - [ -0.0000215500000000, -0.0000161700000000, 0.0000241600000000 ] - [ -0.0000221000000000, 0.0000157100000000, 0.0003427400000000 ] - [ -0.0000002700000000, -0.0000003100000000, -0.0002993200000000 ] - [ -0.0000006700000000, -0.0000003100000000, -0.0002993000000000 ] - [ -0.0000005300000000, -0.0000001600000000, -0.0002986000000000 ] - [ -0.0000005400000000, -0.0000004700000000, -0.0003000200000000 ] - [ -0.0000301600000000, -0.0000003600000000, 0.0003930900000000 ] - [ -0.0000840000000000, -0.0000001900000000, 0.0003928100000000 ] - [ 0.0000178500000000, 0.0000589600000000, 0.0006470900000000 ] - [ 0.0000181300000000, -0.0000587700000000, 0.0001392100000000 ] - [ 0.0058650000000000, -0.0032847100000000, -0.0082982600000000 ] - [ 0.0056153700000000, 0.0030969500000000, 0.0075164900000000 ] - [ 0.0002144900000000, -0.0000260500000000, -0.0002294700000000 ] - [ -0.0009365700000000, -0.0000032700000000, -0.0002536400000000 ] - [ -0.0000025500000000, -0.0000003700000000, 0.0004362600000000 ] - [ -0.0000009400000000, 0.0000000600000000, 0.0004360400000000 ] - [ -0.0000000900000000, -0.0000015300000000, 0.0004274600000000 ] - [ 0.0000002200000000, 0.0000018200000000, 0.0004452100000000 ] - [ 0.0000010600000000, 0.0000002300000000, 0.0004347600000000 ] - [ -0.0000022000000000, 0.0000002300000000, 0.0004347600000000 ] - [ -0.0000006300000000, 0.0000012300000000, 0.0004389300000000 ] - [ -0.0000006200000000, -0.0000007400000000, 0.0004306200000000 ] - [ 0.0000007300000000, -0.0000011800000000, -0.0006571600000000 ] - [ 0.0000004300000000, 0.0000007400000000, -0.0006469600000000 ] - [ -0.0000008200000000, 0.0000003000000000, -0.0006519800000000 ] - [ -0.0000019700000000, -0.0000001100000000, -0.0006517800000000 ] - [ -0.0000001200000000, -0.0000002900000000, 0.0003366300000000 ] - [ -0.0000003700000000, -0.0000002800000000, 0.0003366200000000 ] - [ -0.0000007600000000, -0.0000005000000000, 0.0003367700000000 ] - [ -0.0000007600000000, -0.0000000500000000, 0.0003364600000000 ] - [ -0.0000038900000000, -0.0000985400000000, -0.0000133500000000 ] - [ -0.0000046200000000, 0.0000988300000000, -0.0000192400000000 ] - [ -0.0001753200000000, 0.0000002300000000, -0.0000160000000000 ] - [ 0.0002048300000000, 0.0000001300000000, -0.0000163600000000 ] - [ 0.0000037900000000, -0.0000305400000000, -0.0004018700000000 ] - [ 0.0000038900000000, 0.0000310900000000, -0.0003303000000000 ] - [ -0.0000495300000000, 0.0000000100000000, -0.0003669100000000 ] - [ -0.0001472400000000, 0.0000001400000000, -0.0003651000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000715400000000, 0.0005606600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004217700000000 ] - [ 0.0000619600000000, -0.0000357700000000, 0.0005606600000000 ] - [ -0.0000619600000000, -0.0000357700000000, 0.0005606600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000283800000000 ] - [ 0.0000000000000000, -0.0000029500000000, 0.0000270000000000 ] - [ 0.0000025600000000, 0.0000014800000000, 0.0000270000000000 ] - [ -0.0000025600000000, 0.0000014800000000, 0.0000270000000000 ] - [ 0.0000000000000000, 0.0002730000000000, 0.0003149900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001764000000000 ] - [ 0.0002364200000000, -0.0001365000000000, 0.0003149900000000 ] - [ -0.0002364200000000, -0.0001365000000000, 0.0003149900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000036800000000 ] - [ 0.0000000000000000, -0.0000000900000000, 0.0000086400000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0000086400000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0000086400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005548400000000 ] - [ 0.0000000000000000, -0.0000029600000000, 0.0005515100000000 ] - [ 0.0000025600000000, 0.0000014800000000, 0.0005515100000000 ] - [ -0.0000025600000000, 0.0000014800000000, 0.0005515100000000 ] - [ -0.0000009700000000, 0.0000005600000000, 0.0010086800000000 ] - [ 0.0000009700000000, 0.0000005600000000, 0.0010086800000000 ] - [ 0.0000000000000000, -0.0000011100000000, 0.0010086800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010071400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0326693700000000 ] - [ 0.0000000000000000, -0.0047154500000000, -0.0090835000000000 ] - [ 0.0040837000000000, 0.0023577200000000, -0.0090835000000000 ] - [ -0.0040837000000000, 0.0023577200000000, -0.0090835000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000498200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000492900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000498200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000498200000000 ] - [ -0.0000002600000000, 0.0000001500000000, -0.0008546500000000 ] - [ 0.0000002600000000, 0.0000001500000000, -0.0008546500000000 ] - [ 0.0000000000000000, -0.0000003000000000, -0.0008546500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008523900000000 ] - [ 0.0000000000000000, -0.0072274100000000, 0.0092762700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031556100000000 ] - [ -0.0062591200000000, 0.0036137100000000, 0.0092762700000000 ] - [ 0.0062591200000000, 0.0036137100000000, 0.0092762700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007760600000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0007746400000000 ] - [ 0.0000000400000000, 0.0000000300000000, -0.0007746400000000 ] - [ -0.0000000400000000, 0.0000000300000000, -0.0007746400000000 ] - [ 0.0000001100000000, -0.0000000600000000, 0.0001140000000000 ] - [ -0.0000001100000000, -0.0000000600000000, 0.0001140000000000 ] - [ 0.0000000000000000, 0.0000001300000000, 0.0001140000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001149200000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0002091200000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0002091200000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0002091200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002061000000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0001349600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001359200000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0001349600000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0001349600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001503300000000 ] - [ 0.0000000000000000, 0.0000566300000000, -0.0000175800000000 ] - [ -0.0000490400000000, -0.0000283100000000, -0.0000175800000000 ] - [ 0.0000490400000000, -0.0000283100000000, -0.0000175800000000 ] - [ 0.0000000000000000, 0.0000008100000000, -0.0004569500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004560600000000 ] - [ 0.0000007000000000, -0.0000004000000000, -0.0004569500000000 ] - [ -0.0000007000000000, -0.0000004000000000, -0.0004569500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002320900000000 ] - [ 0.0000000000000000, 0.0000127400000000, 0.0003483500000000 ] - [ -0.0000110300000000, -0.0000063700000000, 0.0003483500000000 ] - [ 0.0000110300000000, -0.0000063700000000, 0.0003483500000000 ] - [ -0.0059501000000000, 0.0034352900000000, 0.0086843000000000 ] - [ 0.0059501000000000, 0.0034352900000000, 0.0086843000000000 ] - [ 0.0000000000000000, -0.0068705800000000, 0.0086843000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026644800000000 ] - [ 0.0000000000000000, 0.0000005900000000, 0.0002849900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002784100000000 ] - [ 0.0000005100000000, -0.0000003000000000, 0.0002849900000000 ] - [ -0.0000005100000000, -0.0000003000000000, 0.0002849900000000 ] - [ 0.0000000000000000, 0.0000008400000000, 0.0002777200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002821500000000 ] - [ 0.0000007200000000, -0.0000004200000000, 0.0002777200000000 ] - [ -0.0000007200000000, -0.0000004200000000, 0.0002777200000000 ] - [ 0.0000006700000000, -0.0000003900000000, -0.0008072900000000 ] - [ -0.0000006700000000, -0.0000003900000000, -0.0008072900000000 ] - [ 0.0000000000000000, 0.0000007800000000, -0.0008072900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008077800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001830400000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0001847400000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0001847400000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0001847400000000 ] - [ 0.0000706400000000, -0.0000407800000000, -0.0001628900000000 ] - [ -0.0000706400000000, -0.0000407800000000, -0.0001628900000000 ] - [ 0.0000000000000000, 0.0000815700000000, -0.0001628900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002117900000000 ] - [ 0.0000131100000000, -0.0000075700000000, -0.0003743600000000 ] - [ -0.0000131100000000, -0.0000075700000000, -0.0003743600000000 ] - [ 0.0000000000000000, 0.0000151400000000, -0.0003743600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007158100000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000740200000000, -0.0001523600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000122500000000 ] - [ -0.0000641000000000, 0.0000370100000000, -0.0001523600000000 ] - [ 0.0000641000000000, 0.0000370100000000, -0.0001523600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005965200000000 ] - [ 0.0000000000000000, 0.0000029800000000, -0.0005961400000000 ] - [ -0.0000025800000000, -0.0000014900000000, -0.0005961400000000 ] - [ 0.0000025800000000, -0.0000014900000000, -0.0005961400000000 ] - [ 0.0000000000000000, -0.0002750500000000, -0.0003982600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002575000000000 ] - [ -0.0002382000000000, 0.0001375200000000, -0.0003982600000000 ] - [ 0.0002382000000000, 0.0001375200000000, -0.0003982600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006106400000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0006165000000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0006165000000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0006165000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000739300000000 ] - [ 0.0000000000000000, 0.0000029900000000, -0.0000716600000000 ] - [ -0.0000025900000000, -0.0000014900000000, -0.0000716600000000 ] - [ 0.0000025900000000, -0.0000014900000000, -0.0000716600000000 ] - [ -0.0000000100000000, 0.0000000100000000, 0.0003783800000000 ] - [ 0.0000000100000000, 0.0000000100000000, 0.0003783800000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0003783800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003784400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0328844400000000 ] - [ 0.0000000000000000, 0.0047154400000000, 0.0093385200000000 ] - [ -0.0040836900000000, -0.0023577200000000, 0.0093385200000000 ] - [ 0.0040836900000000, -0.0023577200000000, 0.0093385200000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0005775800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005769700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005775800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005775800000000 ] - [ 0.0000002500000000, -0.0000001400000000, -0.0005397400000000 ] - [ -0.0000002500000000, -0.0000001400000000, -0.0005397400000000 ] - [ 0.0000000000000000, 0.0000002900000000, -0.0005397400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005420800000000 ] - [ 0.0000000000000000, 0.0069993200000000, -0.0087220900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026931500000000 ] - [ 0.0060615900000000, -0.0034996600000000, -0.0087220900000000 ] - [ -0.0060615900000000, -0.0034996600000000, -0.0087220900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004650400000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0004664400000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0004664400000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0004664400000000 ] - [ -0.0000000900000000, 0.0000000500000000, 0.0004332900000000 ] - [ 0.0000000900000000, 0.0000000500000000, 0.0004332900000000 ] - [ 0.0000000000000000, -0.0000001100000000, 0.0004332900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004323600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001078200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001078200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001078200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001047600000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0004474200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004465100000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0004474200000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0004474200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002167000000000 ] - [ 0.0000000000000000, -0.0000575100000000, 0.0003848800000000 ] - [ 0.0000498000000000, 0.0000287500000000, 0.0003848800000000 ] - [ -0.0000498000000000, 0.0000287500000000, 0.0003848800000000 ] - [ 0.0000000000000000, -0.0000008300000000, -0.0001406900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001416300000000 ] - [ -0.0000007200000000, 0.0000004200000000, -0.0001406900000000 ] - [ 0.0000007200000000, 0.0000004200000000, -0.0001406900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005569800000000 ] - [ 0.0000000000000000, -0.0000122300000000, 0.0004375600000000 ] - [ 0.0000105900000000, 0.0000061100000000, 0.0004375600000000 ] - [ -0.0000105900000000, 0.0000061100000000, 0.0004375600000000 ] - [ 0.0061470800000000, -0.0035490200000000, -0.0092779400000000 ] - [ -0.0061470800000000, -0.0035490200000000, -0.0092779400000000 ] - [ 0.0000000000000000, 0.0070980400000000, -0.0092779400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031666700000000 ] - [ 0.0000000000000000, -0.0000009600000000, 0.0005894800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005956700000000 ] - [ -0.0000008300000000, 0.0000004800000000, 0.0005894800000000 ] - [ 0.0000008300000000, 0.0000004800000000, 0.0005894800000000 ] - [ 0.0000000000000000, -0.0000008500000000, 0.0005920100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005876100000000 ] - [ -0.0000007400000000, 0.0000004300000000, 0.0005920100000000 ] - [ 0.0000007400000000, 0.0000004300000000, 0.0005920100000000 ] - [ -0.0000003800000000, 0.0000002200000000, -0.0004947900000000 ] - [ 0.0000003800000000, 0.0000002200000000, -0.0004947900000000 ] - [ 0.0000000000000000, -0.0000004400000000, -0.0004947900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004937600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004922100000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0004905000000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0004905000000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0004905000000000 ] - [ -0.0000711400000000, 0.0000410700000000, 0.0001321200000000 ] - [ 0.0000711400000000, 0.0000410700000000, 0.0001321200000000 ] - [ 0.0000000000000000, -0.0000821400000000, 0.0001321200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001796900000000 ] - [ -0.0000134000000000, 0.0000077400000000, -0.0003562300000000 ] - [ 0.0000134000000000, 0.0000077400000000, -0.0003562300000000 ] - [ 0.0000000000000000, -0.0000154800000000, -0.0003562300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000098500000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000072100000000, 0.0000000100000000, 0.0002050700000000 ] - [ 0.0000075900000000, 0.0000000000000000, 0.0002050800000000 ] - [ -0.0000005400000000, -0.0000047000000000, 0.0002024600000000 ] - [ -0.0000005700000000, 0.0000047000000000, 0.0002077200000000 ] - [ -0.0000008900000000, -0.0000000300000000, -0.0002842900000000 ] - [ -0.0000008000000000, -0.0000000100000000, -0.0002842900000000 ] - [ -0.0000006900000000, -0.0000001200000000, -0.0002841300000000 ] - [ -0.0000006400000000, 0.0000001400000000, -0.0002844500000000 ] - [ -0.0000011600000000, -0.0000000100000000, -0.0000406500000000 ] - [ -0.0000017200000000, -0.0000000100000000, -0.0000406600000000 ] - [ -0.0000009800000000, 0.0000004100000000, -0.0000406800000000 ] - [ -0.0000009700000000, -0.0000004400000000, -0.0000406500000000 ] - [ -0.0000073600000000, -0.0000000800000000, -0.0003050700000000 ] - [ 0.0000044400000000, -0.0000000500000000, -0.0003050900000000 ] - [ -0.0000011300000000, -0.0000037000000000, -0.0003037100000000 ] - [ -0.0000010600000000, 0.0000035300000000, -0.0003064700000000 ] - [ -0.0002789500000000, 0.0000004700000000, 0.0002400100000000 ] - [ 0.0002591400000000, -0.0000005800000000, 0.0002406900000000 ] - [ 0.0000267300000000, -0.0001759200000000, 0.0003036900000000 ] - [ 0.0000249500000000, 0.0001760300000000, 0.0001773000000000 ] - [ 0.0000038300000000, -0.0002360100000000, 0.0005420700000000 ] - [ 0.0000041200000000, 0.0002362800000000, 0.0008410800000000 ] - [ -0.0004560700000000, -0.0000000600000000, 0.0006917400000000 ] - [ 0.0004129900000000, 0.0000000800000000, 0.0006916300000000 ] - [ -0.0000009400000000, -0.0000000300000000, 0.0001267300000000 ] - [ -0.0000008000000000, -0.0000000300000000, 0.0001267300000000 ] - [ -0.0000006600000000, -0.0000001800000000, 0.0001267100000000 ] - [ -0.0000006500000000, 0.0000001500000000, 0.0001267700000000 ] - [ -0.0336804700000000, 0.0000008700000000, -0.0002693100000000 ] - [ 0.0114627800000000, 0.0000010100000000, -0.0002640800000000 ] - [ 0.0003803400000000, -0.0063977500000000, -0.0043570300000000 ] - [ 0.0003802300000000, 0.0063968000000000, 0.0038299800000000 ] - [ -0.0000004000000000, -0.0000009300000000, -0.0006924700000000 ] - [ -0.0000004100000000, 0.0000005800000000, -0.0007008700000000 ] - [ -0.0000017400000000, -0.0000001800000000, -0.0006966600000000 ] - [ 0.0000009000000000, -0.0000001800000000, -0.0006966700000000 ] - [ -0.0000007700000000, 0.0000000800000000, 0.0002323400000000 ] - [ -0.0000011500000000, 0.0000000900000000, 0.0002323400000000 ] - [ -0.0000019900000000, -0.0000003900000000, 0.0002324500000000 ] - [ -0.0000019900000000, 0.0000005700000000, 0.0002322300000000 ] - [ 0.0000691100000000, 0.0000002400000000, -0.0006202500000000 ] - [ -0.0000603200000000, 0.0000003500000000, -0.0006199500000000 ] - [ -0.0000150900000000, 0.0000488400000000, -0.0007955500000000 ] - [ -0.0000148400000000, -0.0000482400000000, -0.0004444100000000 ] - [ 0.0058636300000000, 0.0032810000000000, -0.0077704300000000 ] - [ 0.0056134400000000, -0.0030924000000000, 0.0080423200000000 ] - [ -0.0009454800000000, 0.0000035000000000, 0.0002734200000000 ] - [ 0.0002199900000000, 0.0000263700000000, 0.0002975400000000 ] - [ 0.0000041100000000, 0.0000307200000000, -0.0000858500000000 ] - [ 0.0000042400000000, -0.0000310600000000, -0.0000145800000000 ] - [ -0.0001474900000000, -0.0000000200000000, -0.0000491900000000 ] - [ -0.0000493300000000, 0.0000001100000000, -0.0000510200000000 ] - [ -0.0000020700000000, 0.0000001500000000, 0.0002903500000000 ] - [ 0.0000005800000000, 0.0000001300000000, 0.0002903800000000 ] - [ -0.0000008400000000, -0.0000006900000000, 0.0002893600000000 ] - [ -0.0000008400000000, 0.0000009500000000, 0.0002913800000000 ] - [ -0.0000003800000000, -0.0000002700000000, 0.0001829500000000 ] - [ -0.0000007900000000, -0.0000002700000000, 0.0001829400000000 ] - [ -0.0000006600000000, -0.0000001100000000, 0.0001822300000000 ] - [ -0.0000006600000000, -0.0000004200000000, 0.0001836700000000 ] - [ -0.0000502700000000, -0.0000002400000000, -0.0002992100000000 ] - [ -0.0000031100000000, -0.0000004700000000, -0.0002994100000000 ] - [ 0.0000405900000000, 0.0000246000000000, -0.0005355300000000 ] - [ 0.0000403900000000, -0.0000257000000000, -0.0000626100000000 ] - [ 0.0000013600000000, -0.0000002500000000, 0.0003925400000000 ] - [ -0.0000019700000000, -0.0000002500000000, 0.0003925200000000 ] - [ -0.0000003800000000, 0.0000007600000000, 0.0003883800000000 ] - [ -0.0000003800000000, -0.0000012500000000, 0.0003966800000000 ] - [ -0.0000003600000000, -0.0000002500000000, -0.0002517000000000 ] - [ -0.0000003700000000, 0.0000000500000000, -0.0002512400000000 ] - [ -0.0000003800000000, -0.0000001000000000, -0.0002514600000000 ] - [ -0.0000001100000000, -0.0000001100000000, -0.0002514700000000 ] - [ 0.0000060400000000, -0.0000000400000000, 0.0004357800000000 ] - [ 0.0000052600000000, 0.0000002400000000, 0.0004362900000000 ] - [ -0.0000228500000000, -0.0000160500000000, 0.0005955600000000 ] - [ -0.0000223000000000, 0.0000160900000000, 0.0002762900000000 ] - [ -0.0000005900000000, 0.0000002400000000, 0.0004342100000000 ] - [ -0.0000009100000000, 0.0000002300000000, 0.0004342000000000 ] - [ -0.0000012800000000, 0.0000000200000000, 0.0004340800000000 ] - [ -0.0000013000000000, 0.0000004500000000, 0.0004343500000000 ] - [ -0.0000004200000000, -0.0000001200000000, -0.0006503400000000 ] - [ -0.0000004200000000, -0.0000001400000000, -0.0006505100000000 ] - [ 0.0000001000000000, -0.0000001300000000, -0.0006504400000000 ] - [ -0.0000004400000000, -0.0000001300000000, -0.0006504300000000 ] - [ 0.0002344900000000, -0.0000263900000000, 0.0003129900000000 ] - [ -0.0009426900000000, -0.0000033800000000, 0.0003371300000000 ] - [ 0.0059642900000000, -0.0033306100000000, 0.0084004900000000 ] - [ 0.0057146500000000, 0.0031425900000000, -0.0074509900000000 ] - [ 0.0000001400000000, 0.0000012300000000, -0.0000205600000000 ] - [ -0.0000001700000000, -0.0000006800000000, -0.0000103500000000 ] - [ -0.0000025800000000, 0.0000001800000000, -0.0000151600000000 ] - [ -0.0000013900000000, -0.0000002400000000, -0.0000153500000000 ] - [ -0.0000011100000000, -0.0000000400000000, -0.0003637000000000 ] - [ -0.0000011000000000, 0.0000003300000000, -0.0003651300000000 ] - [ -0.0000012400000000, 0.0000001500000000, -0.0003644100000000 ] - [ -0.0000007900000000, 0.0000001400000000, -0.0003644100000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0005168700000000 ] - [ 0.0000000000000000, 0.0000030000000000, 0.0005185200000000 ] - [ -0.0000026000000000, -0.0000015000000000, 0.0005185200000000 ] - [ 0.0000026000000000, -0.0000015000000000, 0.0005185200000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0000287800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000284400000000 ] - [ -0.0000000600000000, 0.0000000400000000, 0.0000287800000000 ] - [ 0.0000000600000000, 0.0000000400000000, 0.0000287800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002752500000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0002715100000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0002715100000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0002715100000000 ] - [ 0.0000000000000000, -0.0000039700000000, 0.0000112500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000082500000000 ] - [ -0.0000034400000000, 0.0000019900000000, 0.0000112500000000 ] - [ 0.0000034400000000, 0.0000019900000000, 0.0000112500000000 ] - [ 0.0000000000000000, -0.0002735800000000, 0.0005994800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004606900000000 ] - [ -0.0002369300000000, 0.0001367900000000, 0.0005994800000000 ] - [ 0.0002369300000000, 0.0001367900000000, 0.0005994800000000 ] - [ -0.0001485000000000, -0.0000857400000000, 0.0010278400000000 ] - [ 0.0001485000000000, -0.0000857400000000, 0.0010278400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009915600000000 ] - [ 0.0000000000000000, 0.0001714800000000, 0.0010278400000000 ] - [ 0.0000000000000000, -0.0000001500000000, 0.0004397700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004391200000000 ] - [ -0.0000001300000000, 0.0000000700000000, 0.0004397700000000 ] - [ 0.0000001300000000, 0.0000000700000000, 0.0004397700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0330038100000000 ] - [ 0.0000000000000000, 0.0047265800000000, -0.0094853400000000 ] - [ -0.0040933300000000, -0.0023632900000000, -0.0094853400000000 ] - [ 0.0040933300000000, -0.0023632900000000, -0.0094853400000000 ] - [ 0.0000004200000000, 0.0000002500000000, -0.0008601600000000 ] - [ -0.0000004200000000, 0.0000002500000000, -0.0008601600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008560600000000 ] - [ 0.0000000000000000, -0.0000004900000000, -0.0008601600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000787600000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0000806900000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0000806900000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0000806900000000 ] - [ 0.0000000000000000, 0.0000114100000000, -0.0008204400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006727000000000 ] - [ 0.0000098800000000, -0.0000057000000000, -0.0008204400000000 ] - [ -0.0000098800000000, -0.0000057000000000, -0.0008204400000000 ] - [ -0.0059557000000000, -0.0034385200000000, 0.0092386800000000 ] - [ 0.0059557000000000, -0.0034385200000000, 0.0092386800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032097700000000 ] - [ 0.0000000000000000, 0.0068770500000000, 0.0092386800000000 ] - [ 0.0000131600000000, 0.0000076000000000, -0.0000639500000000 ] - [ -0.0000131600000000, 0.0000076000000000, -0.0000639500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004067500000000 ] - [ 0.0000000000000000, -0.0000152000000000, -0.0000639500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001324800000000 ] - [ 0.0000000000000000, 0.0000002500000000, 0.0001395800000000 ] - [ -0.0000002100000000, -0.0000001200000000, 0.0001395800000000 ] - [ 0.0000002100000000, -0.0000001200000000, 0.0001395800000000 ] - [ 0.0000000000000000, -0.0000008900000000, 0.0000307400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000316600000000 ] - [ -0.0000007700000000, 0.0000004400000000, 0.0000307400000000 ] - [ 0.0000007700000000, 0.0000004400000000, 0.0000307400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004665300000000 ] - [ 0.0000000000000000, -0.0000046300000000, -0.0003685200000000 ] - [ 0.0000040100000000, 0.0000023200000000, -0.0003685200000000 ] - [ -0.0000040100000000, 0.0000023200000000, -0.0003685200000000 ] - [ 0.0000000000000000, -0.0000007600000000, 0.0002396700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002441100000000 ] - [ -0.0000006600000000, 0.0000003800000000, 0.0002396700000000 ] - [ 0.0000006600000000, 0.0000003800000000, 0.0002396700000000 ] - [ -0.0000001500000000, -0.0000000800000000, -0.0004140800000000 ] - [ 0.0000001500000000, -0.0000000800000000, -0.0004140800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004116800000000 ] - [ 0.0000000000000000, 0.0000001700000000, -0.0004140800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004045900000000 ] - [ 0.0000000000000000, -0.0000567100000000, 0.0002366800000000 ] - [ 0.0000491200000000, 0.0000283600000000, 0.0002366800000000 ] - [ -0.0000491200000000, 0.0000283600000000, 0.0002366800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002800700000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0002812500000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0002812500000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0002812500000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0008126900000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0008126900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008117100000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0008126900000000 ] - [ 0.0000000000000000, 0.0072277200000000, 0.0093750000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032586300000000 ] - [ 0.0062593900000000, -0.0036138600000000, 0.0093750000000000 ] - [ -0.0062593900000000, -0.0036138600000000, 0.0093750000000000 ] - [ 0.0000006800000000, 0.0000003900000000, -0.0001768300000000 ] - [ -0.0000006800000000, 0.0000003900000000, -0.0001768300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001773900000000 ] - [ 0.0000000000000000, -0.0000007900000000, -0.0001768300000000 ] - [ 0.0000007400000000, 0.0000004300000000, -0.0005266800000000 ] - [ -0.0000007400000000, 0.0000004300000000, -0.0005266800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005258500000000 ] - [ 0.0000000000000000, -0.0000008500000000, -0.0005266800000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001101300000000 ] - [ 0.0000000000000000, -0.0000030200000000, -0.0001110600000000 ] - [ 0.0000026100000000, 0.0000015100000000, -0.0001110600000000 ] - [ -0.0000026100000000, 0.0000015100000000, -0.0001110600000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0005992200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005988700000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0005992200000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0005992200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003583700000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0003553500000000 ] - [ 0.0000000800000000, 0.0000000500000000, -0.0003553500000000 ] - [ -0.0000000800000000, 0.0000000500000000, -0.0003553500000000 ] - [ 0.0000000000000000, 0.0000039000000000, -0.0006204200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006174700000000 ] - [ 0.0000033800000000, -0.0000019500000000, -0.0006204200000000 ] - [ -0.0000033800000000, -0.0000019500000000, -0.0006204200000000 ] - [ 0.0000000000000000, 0.0002756500000000, -0.0001215800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000195100000000 ] - [ 0.0002387200000000, -0.0001378300000000, -0.0001215800000000 ] - [ -0.0002387200000000, -0.0001378300000000, -0.0001215800000000 ] - [ 0.0001502400000000, 0.0000867400000000, 0.0003558600000000 ] - [ -0.0001502400000000, 0.0000867400000000, 0.0003558600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003937000000000 ] - [ 0.0000000000000000, -0.0001734800000000, 0.0003558600000000 ] - [ 0.0000000000000000, 0.0000001700000000, -0.0001884300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001878900000000 ] - [ 0.0000001400000000, -0.0000000800000000, -0.0001884300000000 ] - [ -0.0000001400000000, -0.0000000800000000, -0.0001884300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0325662900000000 ] - [ 0.0000000000000000, -0.0047266900000000, 0.0089587400000000 ] - [ 0.0040934400000000, 0.0023633500000000, 0.0089587400000000 ] - [ -0.0040934400000000, 0.0023633500000000, 0.0089587400000000 ] - [ -0.0000004300000000, -0.0000002500000000, -0.0005391800000000 ] - [ 0.0000004300000000, -0.0000002500000000, -0.0005391800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005433600000000 ] - [ 0.0000000000000000, 0.0000005000000000, -0.0005391800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003893500000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0003875500000000 ] - [ -0.0000000600000000, -0.0000000400000000, 0.0003875500000000 ] - [ 0.0000000600000000, -0.0000000400000000, 0.0003875500000000 ] - [ 0.0000000000000000, -0.0000122800000000, -0.0004239900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005721000000000 ] - [ -0.0000106300000000, 0.0000061400000000, -0.0004239900000000 ] - [ 0.0000106300000000, 0.0000061400000000, -0.0004239900000000 ] - [ 0.0061529500000000, 0.0035524000000000, -0.0087845200000000 ] - [ -0.0061529500000000, 0.0035524000000000, -0.0087845200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026636700000000 ] - [ 0.0000000000000000, -0.0071048100000000, -0.0087845200000000 ] - [ -0.0000135900000000, -0.0000078400000000, -0.0000420600000000 ] - [ 0.0000135900000000, -0.0000078400000000, -0.0000420600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003057400000000 ] - [ 0.0000000000000000, 0.0000156900000000, -0.0000420600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004523100000000 ] - [ 0.0000000000000000, -0.0000002700000000, 0.0004453300000000 ] - [ 0.0000002300000000, 0.0000001300000000, 0.0004453300000000 ] - [ -0.0000002300000000, 0.0000001300000000, 0.0004453300000000 ] - [ 0.0000000000000000, 0.0000008800000000, 0.0003386200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003377500000000 ] - [ 0.0000007600000000, -0.0000004400000000, 0.0003386200000000 ] - [ -0.0000007600000000, -0.0000004400000000, 0.0003386200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001277500000000 ] - [ 0.0000000000000000, 0.0000041600000000, -0.0002286600000000 ] - [ -0.0000036100000000, -0.0000020800000000, -0.0002286600000000 ] - [ 0.0000036100000000, -0.0000020800000000, -0.0002286600000000 ] - [ 0.0000000000000000, 0.0000007900000000, 0.0005488000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005444000000000 ] - [ 0.0000006800000000, -0.0000003900000000, 0.0005488000000000 ] - [ -0.0000006800000000, -0.0000003900000000, 0.0005488000000000 ] - [ 0.0000001800000000, 0.0000001000000000, -0.0000940900000000 ] - [ -0.0000001800000000, 0.0000001000000000, -0.0000940900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000963900000000 ] - [ 0.0000000000000000, -0.0000002100000000, -0.0000940900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004697300000000 ] - [ 0.0000000000000000, 0.0000576200000000, 0.0006382000000000 ] - [ -0.0000499000000000, -0.0000288100000000, 0.0006382000000000 ] - [ 0.0000499000000000, -0.0000288100000000, 0.0006382000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005921500000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0005910600000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0005910600000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0005910600000000 ] - [ -0.0000000800000000, -0.0000000500000000, -0.0004939000000000 ] - [ 0.0000000800000000, -0.0000000500000000, -0.0004939000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004948600000000 ] - [ 0.0000000000000000, 0.0000000900000000, -0.0004939000000000 ] - [ 0.0000000000000000, -0.0070000300000000, -0.0086116300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025867900000000 ] - [ -0.0060622100000000, 0.0035000200000000, -0.0086116300000000 ] - [ 0.0060622100000000, 0.0035000200000000, -0.0086116300000000 ] - [ -0.0000003800000000, -0.0000002200000000, 0.0001412600000000 ] - [ 0.0000003800000000, -0.0000002200000000, 0.0001412600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001422700000000 ] - [ 0.0000000000000000, 0.0000004400000000, 0.0001412600000000 ] - [ -0.0000007300000000, -0.0000004200000000, -0.0002071700000000 ] - [ 0.0000007300000000, -0.0000004200000000, -0.0002071700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002080900000000 ] - [ 0.0000000000000000, 0.0000008400000000, -0.0002071700000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001400000000, 0.0000001400000000, 0.0002056400000000 ] - [ -0.0000001500000000, -0.0000001200000000, 0.0002050100000000 ] - [ -0.0000006100000000, 0.0000000200000000, 0.0002053300000000 ] - [ -0.0000003700000000, 0.0000000100000000, 0.0002053200000000 ] - [ -0.0000043400000000, -0.0000110000000000, -0.0002830200000000 ] - [ -0.0000053100000000, 0.0000109700000000, -0.0002864200000000 ] - [ -0.0000238500000000, 0.0000003100000000, -0.0002850300000000 ] - [ -0.0002374700000000, -0.0000000200000000, -0.0002840700000000 ] - [ 0.0000010300000000, 0.0000017300000000, -0.0000396000000000 ] - [ 0.0000006900000000, -0.0000015200000000, -0.0000418600000000 ] - [ 0.0000000900000000, -0.0000000100000000, -0.0000404200000000 ] - [ -0.0000016800000000, -0.0000004700000000, -0.0000406300000000 ] - [ 0.0056976500000000, -0.0031342400000000, -0.0063160300000000 ] - [ 0.0059573900000000, 0.0033322500000000, 0.0059810000000000 ] - [ 0.0002284400000000, 0.0000131300000000, -0.0003133700000000 ] - [ -0.0009403600000000, 0.0000060800000000, -0.0003101800000000 ] - [ 0.0000001000000000, 0.0000001500000000, 0.0002404900000000 ] - [ 0.0000000700000000, -0.0000001400000000, 0.0002406800000000 ] - [ 0.0000003400000000, -0.0000000200000000, 0.0002405700000000 ] - [ 0.0000004800000000, -0.0000000300000000, 0.0002405800000000 ] - [ 0.0000063000000000, -0.0000001100000000, 0.0006919200000000 ] - [ 0.0000066800000000, 0.0000001500000000, 0.0006921500000000 ] - [ -0.0000215100000000, -0.0000159900000000, 0.0007413700000000 ] - [ -0.0000211200000000, 0.0000163400000000, 0.0006424100000000 ] - [ -0.0000000300000000, 0.0000000400000000, 0.0001268200000000 ] - [ -0.0000000600000000, -0.0000001000000000, 0.0001271400000000 ] - [ 0.0000000800000000, 0.0000000000000000, 0.0001269800000000 ] - [ 0.0000002100000000, -0.0000000100000000, 0.0001269900000000 ] - [ -0.0000002300000000, -0.0000005200000000, -0.0002629800000000 ] - [ -0.0000002200000000, 0.0000005600000000, -0.0002638000000000 ] - [ -0.0000008000000000, 0.0000000400000000, -0.0002634000000000 ] - [ 0.0000007000000000, 0.0000000600000000, -0.0002634000000000 ] - [ -0.0273325400000000, -0.0001846400000000, -0.0009561700000000 ] - [ 0.0106396400000000, -0.0000058800000000, -0.0007004700000000 ] - [ 0.0019803000000000, -0.0049899500000000, -0.0005756200000000 ] - [ 0.0019904400000000, 0.0050023800000000, -0.0008172200000000 ] - [ -0.0000003800000000, 0.0000001300000000, 0.0002323500000000 ] - [ -0.0000003700000000, 0.0000000600000000, 0.0002317300000000 ] - [ -0.0000001800000000, 0.0000001000000000, 0.0002320400000000 ] - [ -0.0000004400000000, 0.0000001000000000, 0.0002320300000000 ] - [ -0.0000165900000000, 0.0000055500000000, -0.0006075400000000 ] - [ -0.0000165400000000, -0.0000051200000000, -0.0006331700000000 ] - [ -0.0000073300000000, 0.0000002400000000, -0.0006200100000000 ] - [ 0.0001279600000000, 0.0000001000000000, -0.0006207100000000 ] - [ 0.0000021000000000, 0.0000003300000000, 0.0002740600000000 ] - [ -0.0000007100000000, 0.0000003400000000, 0.0002740600000000 ] - [ -0.0000002200000000, 0.0000006200000000, 0.0002749100000000 ] - [ -0.0000002200000000, 0.0000000500000000, 0.0002732200000000 ] - [ 0.0000005300000000, -0.0000000300000000, -0.0000501600000000 ] - [ 0.0000002600000000, -0.0000000300000000, -0.0000501700000000 ] - [ 0.0000001800000000, -0.0000000800000000, -0.0000502500000000 ] - [ 0.0000001800000000, 0.0000000100000000, -0.0000500600000000 ] - [ 0.0018062100000000, 0.0022086200000000, -0.0031971200000000 ] - [ 0.0018016100000000, -0.0022311300000000, 0.0038044900000000 ] - [ -0.0007392700000000, -0.0000048800000000, 0.0002886300000000 ] - [ -0.0020409500000000, -0.0000056600000000, 0.0002844200000000 ] - [ 0.0000024100000000, -0.0000016300000000, 0.0001818700000000 ] - [ 0.0000024000000000, 0.0000010800000000, 0.0001834000000000 ] - [ 0.0000000600000000, -0.0000002600000000, 0.0001826400000000 ] - [ -0.0000019900000000, -0.0000002700000000, 0.0001826900000000 ] - [ 0.0000088400000000, 0.0000305900000000, -0.0002677900000000 ] - [ 0.0000090100000000, -0.0000310500000000, -0.0003320300000000 ] - [ 0.0000287300000000, -0.0000003900000000, -0.0002998800000000 ] - [ -0.0000444600000000, -0.0000003300000000, -0.0002999500000000 ] - [ 0.0000005300000000, -0.0000001100000000, 0.0003921700000000 ] - [ 0.0000005200000000, -0.0000003800000000, 0.0003922700000000 ] - [ 0.0000007600000000, -0.0000002400000000, 0.0003922200000000 ] - [ 0.0000000000000000, -0.0000002400000000, 0.0003922300000000 ] - [ 0.0000005300000000, -0.0000000900000000, -0.0002517300000000 ] - [ 0.0000002100000000, -0.0000001000000000, -0.0002517500000000 ] - [ 0.0000002100000000, -0.0000001000000000, -0.0002517100000000 ] - [ 0.0000002100000000, -0.0000001000000000, -0.0002517900000000 ] - [ -0.0000000100000000, -0.0000000500000000, 0.0004358200000000 ] - [ -0.0000000100000000, 0.0000001700000000, 0.0004355200000000 ] - [ -0.0000006000000000, 0.0000000500000000, 0.0004356700000000 ] - [ 0.0000001800000000, 0.0000000600000000, 0.0004356700000000 ] - [ 0.0006023600000000, 0.0003465100000000, 0.0010212400000000 ] - [ 0.0006081600000000, -0.0003515000000000, -0.0001665700000000 ] - [ -0.0000153800000000, 0.0000000700000000, 0.0004348500000000 ] - [ 0.0000008000000000, -0.0000000200000000, 0.0004345700000000 ] - [ 0.0000307300000000, 0.0000000000000000, -0.0006506400000000 ] - [ 0.0000266100000000, 0.0000003800000000, -0.0006506200000000 ] - [ -0.0000494000000000, -0.0000443700000000, -0.0006936300000000 ] - [ -0.0000489600000000, 0.0000431500000000, -0.0006084700000000 ] - [ 0.0000001600000000, -0.0000006400000000, 0.0003352800000000 ] - [ 0.0000001600000000, 0.0000000900000000, 0.0003371400000000 ] - [ -0.0000004800000000, -0.0000002800000000, 0.0003362200000000 ] - [ 0.0000009500000000, -0.0000002800000000, 0.0003362100000000 ] - [ -0.0000000400000000, 0.0000001900000000, -0.0000154500000000 ] - [ -0.0000006000000000, 0.0000001800000000, -0.0000154500000000 ] - [ 0.0000005800000000, 0.0000008700000000, -0.0000154600000000 ] - [ 0.0000005700000000, -0.0000004900000000, -0.0000154200000000 ] - [ 0.0000025300000000, 0.0000001600000000, -0.0003647100000000 ] - [ -0.0000011800000000, 0.0000001500000000, -0.0003647000000000 ] - [ -0.0000003800000000, 0.0000006100000000, -0.0003647200000000 ] - [ -0.0000003900000000, -0.0000003100000000, -0.0003646700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000003800000000, 0.0000002200000000, 0.0000477900000000 ] - [ -0.0000003800000000, 0.0000002200000000, 0.0000477900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000479400000000 ] - [ 0.0000000000000000, -0.0000004400000000, 0.0000477900000000 ] - [ -0.0000458300000000, 0.0000264600000000, -0.0003010900000000 ] - [ 0.0000458300000000, 0.0000264600000000, -0.0003010900000000 ] - [ 0.0000000000000000, -0.0000529200000000, -0.0003010900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006311400000000 ] - [ -0.0000048700000000, -0.0000028100000000, -0.0001975500000000 ] - [ 0.0000048700000000, -0.0000028100000000, -0.0001975500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001971200000000 ] - [ 0.0000000000000000, 0.0000056300000000, -0.0001975500000000 ] - [ -0.0080456700000000, 0.0046451700000000, 0.0087395800000000 ] - [ 0.0080456700000000, 0.0046451700000000, 0.0087395800000000 ] - [ 0.0000000000000000, -0.0092903400000000, 0.0087395800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026163300000000 ] - [ -0.0000001600000000, 0.0000000900000000, 0.0000838200000000 ] - [ 0.0000001600000000, 0.0000000900000000, 0.0000838200000000 ] - [ 0.0000000000000000, -0.0000001800000000, 0.0000838200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000842100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006599700000000 ] - [ 0.0000000000000000, -0.0001854500000000, 0.0004898700000000 ] - [ 0.0001606000000000, 0.0000927200000000, 0.0004898700000000 ] - [ -0.0001606000000000, 0.0000927200000000, 0.0004898700000000 ] - [ -0.0000002700000000, 0.0000001600000000, -0.0000302100000000 ] - [ 0.0000002700000000, 0.0000001600000000, -0.0000302100000000 ] - [ 0.0000000000000000, -0.0000003100000000, -0.0000302100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000295300000000 ] - [ 0.0000041300000000, 0.0000023800000000, -0.0004225300000000 ] - [ -0.0000041300000000, 0.0000023800000000, -0.0004225300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004185200000000 ] - [ 0.0000000000000000, -0.0000047700000000, -0.0004225300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0377320600000000 ] - [ 0.0000000000000000, -0.0001362300000000, -0.0024526000000000 ] - [ 0.0001179800000000, 0.0000681100000000, -0.0024526000000000 ] - [ -0.0001179800000000, 0.0000681100000000, -0.0024526000000000 ] - [ 0.0000002700000000, 0.0000001600000000, 0.0003120800000000 ] - [ -0.0000002700000000, 0.0000001600000000, 0.0003120800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003115300000000 ] - [ 0.0000000000000000, -0.0000003100000000, 0.0003120800000000 ] - [ 0.0000008200000000, -0.0000004700000000, -0.0006341900000000 ] - [ -0.0000008200000000, -0.0000004700000000, -0.0006341900000000 ] - [ 0.0000000000000000, 0.0000009400000000, -0.0006341900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002410500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003591100000000 ] - [ 0.0000000000000000, -0.0000006200000000, 0.0003488000000000 ] - [ 0.0000005400000000, 0.0000003100000000, 0.0003488000000000 ] - [ -0.0000005400000000, 0.0000003100000000, 0.0003488000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000254400000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0000258900000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0000258900000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0000258900000000 ] - [ -0.0035024800000000, -0.0020221600000000, 0.0040852000000000 ] - [ 0.0035024800000000, -0.0020221600000000, 0.0040852000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006828000000000 ] - [ 0.0000000000000000, 0.0040443100000000, 0.0040852000000000 ] - [ -0.0000026400000000, 0.0000015200000000, 0.0002647300000000 ] - [ 0.0000026400000000, 0.0000015200000000, 0.0002647300000000 ] - [ 0.0000000000000000, -0.0000030500000000, 0.0002647300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002544700000000 ] - [ 0.0000655100000000, 0.0000378200000000, -0.0002048300000000 ] - [ -0.0000655100000000, 0.0000378200000000, -0.0002048300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002650100000000 ] - [ 0.0000000000000000, -0.0000756400000000, -0.0002048300000000 ] - [ -0.0000002200000000, 0.0000001200000000, 0.0004727900000000 ] - [ 0.0000002200000000, 0.0000001200000000, 0.0004727900000000 ] - [ 0.0000000000000000, -0.0000002500000000, 0.0004727900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004720600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001753600000000 ] - [ 0.0000000000000000, -0.0000001300000000, -0.0001752400000000 ] - [ 0.0000001100000000, 0.0000000700000000, -0.0001752400000000 ] - [ -0.0000001100000000, 0.0000000700000000, -0.0001752400000000 ] - [ 0.0000001200000000, 0.0000000700000000, 0.0005158900000000 ] - [ -0.0000001200000000, 0.0000000700000000, 0.0005158900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005153900000000 ] - [ 0.0000000000000000, -0.0000001400000000, 0.0005158900000000 ] - [ 0.0005840300000000, 0.0003371900000000, 0.0010873300000000 ] - [ -0.0005840300000000, 0.0003371900000000, 0.0010873300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003577400000000 ] - [ 0.0000000000000000, -0.0006743900000000, 0.0010873300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006615900000000 ] - [ 0.0000000000000000, -0.0001885600000000, -0.0005305800000000 ] - [ 0.0001633000000000, 0.0000942800000000, -0.0005305800000000 ] - [ -0.0001633000000000, 0.0000942800000000, -0.0005305800000000 ] - [ -0.0000014900000000, 0.0000008600000000, 0.0004164400000000 ] - [ 0.0000014900000000, 0.0000008600000000, 0.0004164400000000 ] - [ 0.0000000000000000, -0.0000017200000000, 0.0004164400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004141300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000610900000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0000605700000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0000605700000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0000605700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002819600000000 ] - [ 0.0000000000000000, -0.0000002900000000, -0.0002897200000000 ] - [ 0.0000002500000000, 0.0000001400000000, -0.0002897200000000 ] - [ -0.0000002500000000, 0.0000001400000000, -0.0002897200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000003700000000, -0.0000002100000000, 0.0003626500000000 ] - [ 0.0000003700000000, -0.0000002100000000, 0.0003626500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003624600000000 ] - [ 0.0000000000000000, 0.0000004300000000, 0.0003626500000000 ] - [ 0.0000471400000000, -0.0000272200000000, -0.0002702700000000 ] - [ -0.0000471400000000, -0.0000272200000000, -0.0002702700000000 ] - [ 0.0000000000000000, 0.0000544300000000, -0.0002702700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000682800000000 ] - [ 0.0000053200000000, 0.0000030700000000, 0.0001160500000000 ] - [ -0.0000053200000000, 0.0000030700000000, 0.0001160500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001162400000000 ] - [ 0.0000000000000000, -0.0000061400000000, 0.0001160500000000 ] - [ 0.0078053900000000, -0.0045064400000000, -0.0092564700000000 ] - [ -0.0078053900000000, -0.0045064400000000, -0.0092564700000000 ] - [ 0.0000000000000000, 0.0090128800000000, -0.0092564700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032182100000000 ] - [ 0.0000001500000000, -0.0000000800000000, 0.0003976800000000 ] - [ -0.0000001500000000, -0.0000000800000000, 0.0003976800000000 ] - [ 0.0000000000000000, 0.0000001700000000, 0.0003976800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003971800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007280600000000 ] - [ 0.0000000000000000, 0.0001843900000000, 0.0008968100000000 ] - [ -0.0001596900000000, -0.0000921900000000, 0.0008968100000000 ] - [ 0.0001596900000000, -0.0000921900000000, 0.0008968100000000 ] - [ 0.0000002700000000, -0.0000001500000000, 0.0002841900000000 ] - [ -0.0000002700000000, -0.0000001500000000, 0.0002841900000000 ] - [ 0.0000000000000000, 0.0000003100000000, 0.0002841900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002835300000000 ] - [ -0.0000041100000000, -0.0000023700000000, -0.0001037900000000 ] - [ 0.0000041100000000, -0.0000023700000000, -0.0001037900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001078300000000 ] - [ 0.0000000000000000, 0.0000047400000000, -0.0001037900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0359046100000000 ] - [ 0.0000000000000000, 0.0001429300000000, 0.0010654900000000 ] - [ -0.0001237800000000, -0.0000714600000000, 0.0010654900000000 ] - [ 0.0001237800000000, -0.0000714600000000, 0.0010654900000000 ] - [ -0.0000002800000000, -0.0000001600000000, 0.0001549800000000 ] - [ 0.0000002800000000, -0.0000001600000000, 0.0001549800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001555400000000 ] - [ 0.0000000000000000, 0.0000003300000000, 0.0001549800000000 ] - [ -0.0000006800000000, 0.0000003900000000, -0.0006106700000000 ] - [ 0.0000006800000000, 0.0000003900000000, -0.0006106700000000 ] - [ 0.0000000000000000, -0.0000007800000000, -0.0006106700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010024500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001858300000000 ] - [ 0.0000000000000000, 0.0000005800000000, 0.0001960400000000 ] - [ -0.0000005100000000, -0.0000002900000000, 0.0001960400000000 ] - [ 0.0000005100000000, -0.0000002900000000, 0.0001960400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001295600000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0001299000000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0001299000000000 ] - [ 0.0000000100000000, 0.0000000000000000, -0.0001299000000000 ] - [ 0.0034510100000000, 0.0019924400000000, -0.0034376300000000 ] - [ -0.0034510100000000, 0.0019924400000000, -0.0034376300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012650700000000 ] - [ 0.0000000000000000, -0.0039848800000000, -0.0034376300000000 ] - [ 0.0000027100000000, -0.0000015600000000, 0.0001031400000000 ] - [ -0.0000027100000000, -0.0000015600000000, 0.0001031400000000 ] - [ 0.0000000000000000, 0.0000031200000000, 0.0001031400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001136500000000 ] - [ -0.0000651400000000, -0.0000376100000000, -0.0003925000000000 ] - [ 0.0000651400000000, -0.0000376100000000, -0.0003925000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003328600000000 ] - [ 0.0000000000000000, 0.0000752200000000, -0.0003925000000000 ] - [ 0.0000002200000000, -0.0000001300000000, 0.0003147600000000 ] - [ -0.0000002200000000, -0.0000001300000000, 0.0003147600000000 ] - [ 0.0000000000000000, 0.0000002500000000, 0.0003147600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003154500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003314900000000 ] - [ 0.0000000000000000, 0.0000001400000000, -0.0003315800000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0003315800000000 ] - [ 0.0000001200000000, -0.0000000700000000, -0.0003315800000000 ] - [ -0.0000000800000000, -0.0000000500000000, 0.0003583700000000 ] - [ 0.0000000800000000, -0.0000000500000000, 0.0003583700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003589700000000 ] - [ 0.0000000000000000, 0.0000000900000000, 0.0003583700000000 ] - [ -0.0006034700000000, -0.0003484100000000, -0.0002381400000000 ] - [ 0.0006034700000000, -0.0003484100000000, -0.0002381400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005163400000000 ] - [ 0.0000000000000000, 0.0006968300000000, -0.0002381400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006405200000000 ] - [ 0.0000000000000000, 0.0001936000000000, -0.0007752500000000 ] - [ -0.0001676600000000, -0.0000968000000000, -0.0007752500000000 ] - [ 0.0001676600000000, -0.0000968000000000, -0.0007752500000000 ] - [ 0.0000015000000000, -0.0000008700000000, 0.0002588900000000 ] - [ -0.0000015000000000, -0.0000008700000000, 0.0002588900000000 ] - [ 0.0000000000000000, 0.0000017400000000, 0.0002588900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002613400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000951600000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0000946700000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0000946700000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0000946700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004506600000000 ] - [ 0.0000000000000000, 0.0000003100000000, -0.0004427800000000 ] - [ -0.0000002600000000, -0.0000001500000000, -0.0004427800000000 ] - [ 0.0000002600000000, -0.0000001500000000, -0.0004427800000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000069500000000, 0.0000001800000000, 0.0002047400000000 ] - [ 0.0000060200000000, -0.0000000900000000, 0.0002044900000000 ] - [ -0.0000210600000000, -0.0000158600000000, 0.0002542100000000 ] - [ -0.0000214700000000, 0.0000156400000000, 0.0001553200000000 ] - [ -0.0000014000000000, 0.0000003800000000, -0.0002848900000000 ] - [ 0.0000008800000000, -0.0000000300000000, -0.0002847100000000 ] - [ 0.0000013400000000, -0.0000017200000000, -0.0002842800000000 ] - [ 0.0000010900000000, 0.0000016200000000, -0.0002856500000000 ] - [ -0.0000287400000000, -0.0000000100000000, -0.0000402700000000 ] - [ -0.0000829600000000, 0.0000006900000000, -0.0000400600000000 ] - [ 0.0000176800000000, 0.0000575600000000, -0.0000299400000000 ] - [ 0.0000191400000000, -0.0000594500000000, -0.0000516000000000 ] - [ 0.0000001000000000, -0.0000000700000000, -0.0003054500000000 ] - [ 0.0000002200000000, -0.0000000500000000, -0.0003054600000000 ] - [ -0.0000000500000000, -0.0000000100000000, -0.0003056400000000 ] - [ -0.0000000200000000, -0.0000001500000000, -0.0003052800000000 ] - [ 0.0000011700000000, 0.0000000100000000, 0.0002399500000000 ] - [ -0.0000010300000000, -0.0000000100000000, 0.0002399700000000 ] - [ -0.0000000700000000, 0.0000006900000000, 0.0002405600000000 ] - [ -0.0000001100000000, -0.0000007500000000, 0.0002393400000000 ] - [ -0.0000001700000000, 0.0000001800000000, 0.0006916700000000 ] - [ -0.0000001700000000, -0.0000000700000000, 0.0006910500000000 ] - [ -0.0000006500000000, 0.0000000600000000, 0.0006913600000000 ] - [ -0.0000003900000000, 0.0000000600000000, 0.0006913600000000 ] - [ 0.0002310500000000, -0.0000132300000000, 0.0001348300000000 ] - [ -0.0009379300000000, -0.0000061800000000, 0.0001316600000000 ] - [ 0.0059747200000000, -0.0033408700000000, -0.0061726600000000 ] - [ 0.0057146600000000, 0.0031424300000000, 0.0061503700000000 ] - [ 0.0000002000000000, 0.0000000300000000, -0.0002640100000000 ] - [ -0.0000004500000000, 0.0000000200000000, -0.0002640200000000 ] - [ -0.0000007400000000, -0.0000001300000000, -0.0002640200000000 ] - [ -0.0000007500000000, 0.0000002200000000, -0.0002640400000000 ] - [ 0.0000000900000000, -0.0000001300000000, -0.0006962600000000 ] - [ 0.0000000900000000, -0.0000002000000000, -0.0006968900000000 ] - [ 0.0000002800000000, -0.0000001800000000, -0.0006965800000000 ] - [ 0.0000000300000000, -0.0000001700000000, -0.0006965700000000 ] - [ -0.0273900400000000, 0.0001849900000000, 0.0004957800000000 ] - [ 0.0106522300000000, 0.0000053000000000, 0.0002359900000000 ] - [ 0.0019737800000000, -0.0050191800000000, 0.0003533900000000 ] - [ 0.0019639800000000, 0.0050067300000000, 0.0001101300000000 ] - [ 0.0000005000000000, 0.0000003100000000, -0.0006199700000000 ] - [ -0.0000002700000000, 0.0000003000000000, -0.0006199600000000 ] - [ 0.0000002500000000, 0.0000004500000000, -0.0006200200000000 ] - [ 0.0000002600000000, 0.0000001800000000, -0.0006199200000000 ] - [ 0.0000001600000000, 0.0000002200000000, 0.0002745400000000 ] - [ 0.0000001700000000, 0.0000004500000000, 0.0002742600000000 ] - [ -0.0000004200000000, 0.0000003300000000, 0.0002744000000000 ] - [ 0.0000003700000000, 0.0000003300000000, 0.0002744000000000 ] - [ 0.0000002000000000, 0.0000003300000000, -0.0000508800000000 ] - [ 0.0000002100000000, -0.0000004000000000, -0.0000487700000000 ] - [ 0.0000009100000000, -0.0000000400000000, -0.0000498200000000 ] - [ -0.0000004200000000, -0.0000000300000000, -0.0000498200000000 ] - [ 0.0000000800000000, 0.0000001400000000, 0.0002904700000000 ] - [ -0.0000002600000000, 0.0000001400000000, 0.0002904800000000 ] - [ -0.0000002500000000, 0.0000001400000000, 0.0002905300000000 ] - [ -0.0000002500000000, 0.0000001300000000, 0.0002904400000000 ] - [ -0.0000062000000000, -0.0000002400000000, 0.0001833200000000 ] - [ 0.0001274700000000, -0.0000003200000000, 0.0001838100000000 ] - [ -0.0000151500000000, 0.0000049400000000, 0.0001821000000000 ] - [ -0.0000154700000000, -0.0000055700000000, 0.0001836200000000 ] - [ 0.0000004100000000, -0.0000003100000000, -0.0002994900000000 ] - [ -0.0000001400000000, -0.0000003100000000, -0.0002994900000000 ] - [ 0.0000010300000000, 0.0000003700000000, -0.0002995200000000 ] - [ 0.0000010300000000, -0.0000009900000000, -0.0002994700000000 ] - [ -0.0000062100000000, -0.0000001800000000, 0.0003923800000000 ] - [ 0.0001276500000000, -0.0000000400000000, 0.0003930800000000 ] - [ -0.0000155500000000, 0.0000052500000000, 0.0004048500000000 ] - [ -0.0000155800000000, -0.0000055500000000, 0.0003805700000000 ] - [ 0.0018054300000000, 0.0022296200000000, -0.0037684000000000 ] - [ 0.0018101200000000, -0.0022069900000000, 0.0032385300000000 ] - [ -0.0007416600000000, 0.0000049000000000, -0.0002499000000000 ] - [ -0.0020343700000000, 0.0000056900000000, -0.0002456000000000 ] - [ 0.0000024500000000, 0.0000000700000000, 0.0004361100000000 ] - [ -0.0000009700000000, 0.0000000600000000, 0.0004360900000000 ] - [ -0.0000004200000000, 0.0000003700000000, 0.0004371400000000 ] - [ -0.0000004200000000, -0.0000002600000000, 0.0004350600000000 ] - [ 0.0000025900000000, 0.0000002400000000, 0.0004343300000000 ] - [ -0.0000006900000000, 0.0000002300000000, 0.0004343200000000 ] - [ -0.0000001300000000, 0.0000005600000000, 0.0004345800000000 ] - [ -0.0000001400000000, -0.0000000800000000, 0.0004340600000000 ] - [ 0.0000011600000000, 0.0000008800000000, -0.0006527500000000 ] - [ 0.0000011900000000, -0.0000011400000000, -0.0006479200000000 ] - [ -0.0000026300000000, -0.0000001300000000, -0.0006503800000000 ] - [ -0.0000005700000000, -0.0000001200000000, -0.0006503800000000 ] - [ 0.0000001400000000, -0.0000002800000000, 0.0003366400000000 ] - [ 0.0000000300000000, -0.0000002800000000, 0.0003366400000000 ] - [ 0.0000002400000000, -0.0000003400000000, 0.0003366400000000 ] - [ 0.0000002600000000, -0.0000002100000000, 0.0003366500000000 ] - [ 0.0000084100000000, 0.0000306200000000, 0.0000167700000000 ] - [ 0.0000082300000000, -0.0000304000000000, -0.0000469900000000 ] - [ 0.0000281800000000, 0.0000002800000000, -0.0000151300000000 ] - [ -0.0000445300000000, 0.0000002200000000, -0.0000150600000000 ] - [ 0.0004695600000000, 0.0002823200000000, 0.0002698700000000 ] - [ 0.0004644300000000, -0.0002752800000000, -0.0009849100000000 ] - [ -0.0000220700000000, 0.0000006600000000, -0.0003651400000000 ] - [ -0.0000158700000000, 0.0000004700000000, -0.0003648800000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0001711600000000 ] - [ 0.0000000000000000, -0.0001832100000000, 0.0000038400000000 ] - [ 0.0001586700000000, 0.0000916100000000, 0.0000038400000000 ] - [ -0.0001586700000000, 0.0000916100000000, 0.0000038400000000 ] - [ 0.0000000000000000, -0.0000102900000000, -0.0004381400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004434800000000 ] - [ -0.0000089100000000, 0.0000051500000000, -0.0004381400000000 ] - [ 0.0000089100000000, 0.0000051500000000, -0.0004381400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002033800000000 ] - [ 0.0000000000000000, 0.0002970100000000, -0.0000843100000000 ] - [ -0.0002572200000000, -0.0001485000000000, -0.0000843100000000 ] - [ 0.0002572200000000, -0.0001485000000000, -0.0000843100000000 ] - [ 0.0000000000000000, -0.0000002800000000, -0.0004601900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004595100000000 ] - [ -0.0000002400000000, 0.0000001400000000, -0.0004601900000000 ] - [ 0.0000002400000000, 0.0000001400000000, -0.0004601900000000 ] - [ 0.0000000000000000, 0.0000046300000000, 0.0000841000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000882100000000 ] - [ 0.0000040100000000, -0.0000023200000000, 0.0000841000000000 ] - [ -0.0000040100000000, -0.0000023200000000, 0.0000841000000000 ] - [ 0.0000003500000000, 0.0000002000000000, 0.0005349800000000 ] - [ -0.0000003500000000, 0.0000002000000000, 0.0005349800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005351500000000 ] - [ 0.0000000000000000, -0.0000004000000000, 0.0005349800000000 ] - [ 0.0000000000000000, -0.0090176600000000, 0.0090793600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030473400000000 ] - [ -0.0078095200000000, 0.0045088300000000, 0.0090793600000000 ] - [ 0.0078095200000000, 0.0045088300000000, 0.0090793600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004203800000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0004204300000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0004204300000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0004204300000000 ] - [ 0.0000002800000000, 0.0000001600000000, -0.0006191200000000 ] - [ -0.0000002800000000, 0.0000001600000000, -0.0006191200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006196900000000 ] - [ 0.0000000000000000, -0.0000003200000000, -0.0006191200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0364107900000000 ] - [ 0.0000000000000000, -0.0001439700000000, -0.0015453900000000 ] - [ 0.0001246800000000, 0.0000719800000000, -0.0015453900000000 ] - [ -0.0001246800000000, 0.0000719800000000, -0.0015453900000000 ] - [ 0.0000000000000000, -0.0000002500000000, -0.0005431100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005438200000000 ] - [ -0.0000002200000000, 0.0000001200000000, -0.0005431100000000 ] - [ 0.0000002200000000, 0.0000001200000000, -0.0005431100000000 ] - [ 0.0000001000000000, 0.0000000600000000, 0.0003531200000000 ] - [ -0.0000001000000000, 0.0000000600000000, 0.0003531200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003524900000000 ] - [ 0.0000000000000000, -0.0000001200000000, 0.0003531200000000 ] - [ -0.0000017000000000, -0.0000009800000000, 0.0000283400000000 ] - [ 0.0000017000000000, -0.0000009800000000, 0.0000283400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000261800000000 ] - [ 0.0000000000000000, 0.0000019600000000, 0.0000283400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003689800000000 ] - [ 0.0000000000000000, -0.0000001500000000, 0.0003691300000000 ] - [ 0.0000001300000000, 0.0000000800000000, 0.0003691300000000 ] - [ -0.0000001300000000, 0.0000000800000000, 0.0003691300000000 ] - [ 0.0000000000000000, -0.0000142400000000, 0.0001722200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005643100000000 ] - [ -0.0000123300000000, 0.0000071200000000, 0.0001722200000000 ] - [ 0.0000123300000000, 0.0000071200000000, 0.0001722200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002200300000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0002205500000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0002205500000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0002205500000000 ] - [ 0.0000000000000000, 0.0000008000000000, 0.0003828400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007693900000000 ] - [ 0.0000007000000000, -0.0000004000000000, 0.0003828400000000 ] - [ -0.0000007000000000, -0.0000004000000000, 0.0003828400000000 ] - [ -0.0034555400000000, -0.0019950600000000, 0.0034761400000000 ] - [ 0.0034555400000000, -0.0019950600000000, 0.0034761400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012287100000000 ] - [ 0.0000000000000000, 0.0039901200000000, 0.0034761400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005215600000000 ] - [ 0.0000000000000000, -0.0000002600000000, 0.0005110000000000 ] - [ 0.0000002200000000, 0.0000001300000000, 0.0005110000000000 ] - [ -0.0000002200000000, 0.0000001300000000, 0.0005110000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005209400000000 ] - [ 0.0000000000000000, -0.0000011600000000, 0.0005104300000000 ] - [ 0.0000010100000000, 0.0000005800000000, 0.0005104300000000 ] - [ -0.0000010100000000, 0.0000005800000000, 0.0005104300000000 ] - [ 0.0000003700000000, 0.0000002100000000, -0.0005704000000000 ] - [ -0.0000003700000000, 0.0000002100000000, -0.0005704000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005809300000000 ] - [ 0.0000000000000000, -0.0000004300000000, -0.0005704000000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0004137400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004132400000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0004137400000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0004137400000000 ] - [ 0.0000644000000000, 0.0000371800000000, 0.0000761400000000 ] - [ -0.0000644000000000, 0.0000371800000000, 0.0000761400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000171300000000 ] - [ 0.0000000000000000, -0.0000743600000000, 0.0000761400000000 ] - [ 0.0004923000000000, 0.0002842300000000, 0.0003000900000000 ] - [ -0.0004923000000000, 0.0002842300000000, 0.0003000900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004468500000000 ] - [ 0.0000000000000000, -0.0005684600000000, 0.0003000900000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0002364800000000 ] - [ 0.0000000000000000, 0.0001843800000000, 0.0004053200000000 ] - [ -0.0001596700000000, -0.0000921900000000, 0.0004053200000000 ] - [ 0.0001596700000000, -0.0000921900000000, 0.0004053200000000 ] - [ 0.0000000000000000, 0.0000103300000000, -0.0001325000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001267700000000 ] - [ 0.0000089400000000, -0.0000051600000000, -0.0001325000000000 ] - [ -0.0000089400000000, -0.0000051600000000, -0.0001325000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001222400000000 ] - [ 0.0000000000000000, -0.0002895200000000, 0.0000046500000000 ] - [ 0.0002507300000000, 0.0001447600000000, 0.0000046500000000 ] - [ -0.0002507300000000, 0.0001447600000000, 0.0000046500000000 ] - [ 0.0000000000000000, 0.0000002800000000, -0.0001510800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001517700000000 ] - [ 0.0000002400000000, -0.0000001400000000, -0.0001510800000000 ] - [ -0.0000002400000000, -0.0000001400000000, -0.0001510800000000 ] - [ 0.0000000000000000, -0.0000046200000000, 0.0003951700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003910700000000 ] - [ -0.0000040000000000, 0.0000023100000000, 0.0003951700000000 ] - [ 0.0000040000000000, 0.0000023100000000, 0.0003951700000000 ] - [ -0.0000003500000000, -0.0000002000000000, 0.0008472700000000 ] - [ 0.0000003500000000, -0.0000002000000000, 0.0008472700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008471100000000 ] - [ 0.0000000000000000, 0.0000004000000000, 0.0008472700000000 ] - [ 0.0000000000000000, 0.0092955900000000, -0.0089185300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028012500000000 ] - [ 0.0080502200000000, -0.0046478000000000, -0.0089185300000000 ] - [ -0.0080502200000000, -0.0046478000000000, -0.0089185300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001080800000000 ] - [ 0.0000000000000000, 0.0000001100000000, -0.0001081800000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0001081800000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0001081800000000 ] - [ -0.0000002700000000, -0.0000001600000000, -0.0007749700000000 ] - [ 0.0000002700000000, -0.0000001600000000, -0.0007749700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007744000000000 ] - [ 0.0000000000000000, 0.0000003100000000, -0.0007749700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0372861100000000 ] - [ 0.0000000000000000, 0.0001369800000000, 0.0020017700000000 ] - [ -0.0001186300000000, -0.0000684900000000, 0.0020017700000000 ] - [ 0.0001186300000000, -0.0000684900000000, 0.0020017700000000 ] - [ 0.0000000000000000, 0.0000002400000000, -0.0006971700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006964800000000 ] - [ 0.0000002100000000, -0.0000001200000000, -0.0006971700000000 ] - [ -0.0000002100000000, -0.0000001200000000, -0.0006971700000000 ] - [ -0.0000001100000000, -0.0000000600000000, 0.0001952200000000 ] - [ 0.0000001100000000, -0.0000000600000000, 0.0001952200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001958800000000 ] - [ 0.0000000000000000, 0.0000001300000000, 0.0001952200000000 ] - [ 0.0000017000000000, 0.0000009800000000, -0.0001283700000000 ] - [ -0.0000017000000000, 0.0000009800000000, -0.0001283700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001262200000000 ] - [ 0.0000000000000000, -0.0000019600000000, -0.0001283700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002144200000000 ] - [ 0.0000000000000000, 0.0000001600000000, 0.0002143700000000 ] - [ -0.0000001300000000, -0.0000000800000000, 0.0002143700000000 ] - [ 0.0000001300000000, -0.0000000800000000, 0.0002143700000000 ] - [ 0.0000000000000000, 0.0000137900000000, 0.0001940400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001881400000000 ] - [ 0.0000119500000000, -0.0000069000000000, 0.0001940400000000 ] - [ -0.0000119500000000, -0.0000069000000000, 0.0001940400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003770200000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0003765400000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0003765400000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0003765400000000 ] - [ 0.0000000000000000, -0.0000009800000000, 0.0004047700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000168400000000 ] - [ -0.0000008400000000, 0.0000004900000000, 0.0004047700000000 ] - [ 0.0000008400000000, 0.0000004900000000, 0.0004047700000000 ] - [ 0.0035067900000000, 0.0020246500000000, -0.0040437000000000 ] - [ -0.0035067900000000, 0.0020246500000000, -0.0040437000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007256700000000 ] - [ 0.0000000000000000, -0.0040493000000000, -0.0040437000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003521300000000 ] - [ 0.0000000000000000, 0.0000002500000000, 0.0003626900000000 ] - [ -0.0000002200000000, -0.0000001200000000, 0.0003626900000000 ] - [ 0.0000002200000000, -0.0000001200000000, 0.0003626900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003504100000000 ] - [ 0.0000000000000000, 0.0000011200000000, 0.0003606900000000 ] - [ -0.0000009700000000, -0.0000005600000000, 0.0003606900000000 ] - [ 0.0000009700000000, -0.0000005600000000, 0.0003606900000000 ] - [ -0.0000003700000000, -0.0000002100000000, -0.0007314300000000 ] - [ 0.0000003700000000, -0.0000002100000000, -0.0007314300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007211900000000 ] - [ 0.0000000000000000, 0.0000004200000000, -0.0007314300000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0002612700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002617400000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0002612700000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0002612700000000 ] - [ -0.0000648100000000, -0.0000374200000000, -0.0001068600000000 ] - [ 0.0000648100000000, -0.0000374200000000, -0.0001068600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000472800000000 ] - [ 0.0000000000000000, 0.0000748300000000, -0.0001068600000000 ] - [ -0.0004769300000000, -0.0002753600000000, -0.0010094800000000 ] - [ 0.0004769300000000, -0.0002753600000000, -0.0010094800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002867500000000 ] - [ 0.0000000000000000, 0.0005507100000000, -0.0010094800000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000004400000000, 0.0000000200000000, 0.0002053900000000 ] - [ 0.0000003100000000, 0.0000000100000000, 0.0002053900000000 ] - [ 0.0000000300000000, 0.0000002600000000, 0.0002052900000000 ] - [ 0.0000000100000000, -0.0000002200000000, 0.0002054800000000 ] - [ -0.0000027800000000, -0.0000000100000000, -0.0002839700000000 ] - [ 0.0000017700000000, 0.0000000100000000, -0.0002840000000000 ] - [ 0.0000004900000000, -0.0000007300000000, -0.0002832500000000 ] - [ 0.0000005300000000, 0.0000007300000000, -0.0002847500000000 ] - [ -0.0000000700000000, -0.0000000100000000, -0.0000403700000000 ] - [ 0.0000001600000000, -0.0000000100000000, -0.0000403700000000 ] - [ -0.0000001700000000, 0.0000000500000000, -0.0000405800000000 ] - [ -0.0000001600000000, -0.0000000600000000, -0.0000401500000000 ] - [ -0.0000289200000000, -0.0000000600000000, -0.0003056100000000 ] - [ -0.0000843000000000, 0.0000006600000000, -0.0003057900000000 ] - [ 0.0000179500000000, 0.0000584600000000, -0.0003162800000000 ] - [ 0.0000194400000000, -0.0000605200000000, -0.0002938600000000 ] - [ 0.0000033100000000, 0.0000000100000000, 0.0002406400000000 ] - [ -0.0000029000000000, 0.0000000000000000, 0.0002406500000000 ] - [ -0.0000000200000000, 0.0000016300000000, 0.0002395100000000 ] - [ -0.0000000500000000, -0.0000016900000000, 0.0002417600000000 ] - [ 0.0059664400000000, -0.0033341400000000, 0.0069885600000000 ] - [ 0.0057066300000000, 0.0031359800000000, -0.0053296500000000 ] - [ 0.0002343100000000, -0.0000131500000000, 0.0006835600000000 ] - [ -0.0009435000000000, -0.0000061000000000, 0.0006867300000000 ] - [ 0.0000004800000000, -0.0000000200000000, 0.0001270400000000 ] - [ 0.0000001000000000, -0.0000000200000000, 0.0001270400000000 ] - [ 0.0000003000000000, 0.0000001100000000, 0.0001270000000000 ] - [ 0.0000003000000000, -0.0000001200000000, 0.0001270900000000 ] - [ 0.0000697500000000, 0.0000000300000000, -0.0002631600000000 ] - [ -0.0000602600000000, -0.0000002100000000, -0.0002633600000000 ] - [ -0.0000142000000000, 0.0000487900000000, -0.0002538200000000 ] - [ -0.0000146800000000, -0.0000484200000000, -0.0002729400000000 ] - [ -0.0000159300000000, 0.0000049800000000, -0.0006959400000000 ] - [ -0.0000162400000000, -0.0000054100000000, -0.0006974000000000 ] - [ -0.0000070900000000, -0.0000001500000000, -0.0006971300000000 ] - [ 0.0001279400000000, -0.0000002200000000, -0.0006976300000000 ] - [ 0.0000003000000000, 0.0000001000000000, 0.0002321300000000 ] - [ -0.0000005300000000, 0.0000001100000000, 0.0002321300000000 ] - [ 0.0000000300000000, 0.0000002600000000, 0.0002320400000000 ] - [ 0.0000000300000000, -0.0000000600000000, 0.0002322200000000 ] - [ -0.0273727400000000, 0.0001847200000000, -0.0008861100000000 ] - [ 0.0106679800000000, 0.0000055200000000, -0.0006235500000000 ] - [ 0.0019720500000000, -0.0050290900000000, -0.0007441100000000 ] - [ 0.0019622000000000, 0.0050170300000000, -0.0004951000000000 ] - [ -0.0000050900000000, 0.0000048000000000, 0.0002633200000000 ] - [ -0.0000051500000000, -0.0000040800000000, 0.0002848300000000 ] - [ 0.0000025800000000, 0.0000002900000000, 0.0002743700000000 ] - [ 0.0000874500000000, 0.0000003700000000, 0.0002737000000000 ] - [ -0.0000001900000000, 0.0000002800000000, -0.0000474500000000 ] - [ -0.0000001900000000, -0.0000003400000000, -0.0000527500000000 ] - [ 0.0000003600000000, -0.0000000300000000, -0.0000501000000000 ] - [ -0.0000003500000000, -0.0000000300000000, -0.0000500900000000 ] - [ -0.0000154300000000, 0.0000004600000000, 0.0002907200000000 ] - [ -0.0000223600000000, 0.0000006500000000, 0.0002909600000000 ] - [ 0.0004722700000000, -0.0002795500000000, 0.0009193500000000 ] - [ 0.0004774900000000, 0.0002866600000000, -0.0003528300000000 ] - [ 0.0000000800000000, -0.0000002600000000, 0.0001827500000000 ] - [ 0.0000004000000000, -0.0000002600000000, 0.0001827400000000 ] - [ 0.0000001900000000, -0.0000003900000000, 0.0001828000000000 ] - [ 0.0000001900000000, -0.0000001400000000, 0.0001826700000000 ] - [ -0.0020542000000000, 0.0000055200000000, -0.0003056600000000 ] - [ -0.0007495100000000, 0.0000047200000000, -0.0003012900000000 ] - [ 0.0018127000000000, -0.0022200500000000, -0.0037991000000000 ] - [ 0.0018079800000000, 0.0022424200000000, 0.0032265800000000 ] - [ 0.0000007500000000, -0.0000002500000000, 0.0003923200000000 ] - [ -0.0000007800000000, -0.0000002400000000, 0.0003923100000000 ] - [ -0.0000006300000000, -0.0000001500000000, 0.0003922900000000 ] - [ -0.0000006200000000, -0.0000003300000000, 0.0003923400000000 ] - [ -0.0000000200000000, -0.0000003700000000, -0.0002517600000000 ] - [ 0.0000002800000000, 0.0000003700000000, -0.0002521200000000 ] - [ -0.0000005100000000, -0.0000000900000000, -0.0002516800000000 ] - [ -0.0000000800000000, -0.0000001000000000, -0.0002516800000000 ] - [ -0.0000010500000000, 0.0000000700000000, 0.0004357600000000 ] - [ 0.0000004100000000, 0.0000000600000000, 0.0004357500000000 ] - [ -0.0000003900000000, -0.0000003200000000, 0.0004342200000000 ] - [ -0.0000003900000000, 0.0000004400000000, 0.0004372800000000 ] - [ -0.0000002700000000, 0.0000002500000000, 0.0004340200000000 ] - [ -0.0000023400000000, 0.0000002300000000, 0.0004340200000000 ] - [ 0.0000019800000000, -0.0000010500000000, 0.0004313700000000 ] - [ 0.0000019400000000, 0.0000015200000000, 0.0004366100000000 ] - [ -0.0000004600000000, 0.0000005100000000, -0.0006502800000000 ] - [ -0.0000004600000000, -0.0000007800000000, -0.0006510100000000 ] - [ 0.0000006600000000, -0.0000001100000000, -0.0006506500000000 ] - [ -0.0000008500000000, -0.0000001200000000, -0.0006506400000000 ] - [ 0.0000038800000000, -0.0000003400000000, 0.0003363200000000 ] - [ -0.0000143000000000, -0.0000002400000000, 0.0003361800000000 ] - [ 0.0000089600000000, 0.0000132300000000, 0.0003851300000000 ] - [ 0.0000090800000000, -0.0000137100000000, 0.0002875900000000 ] - [ -0.0000002400000000, 0.0000001400000000, -0.0000153600000000 ] - [ -0.0000002300000000, 0.0000002400000000, -0.0000153900000000 ] - [ -0.0000003300000000, 0.0000002000000000, -0.0000153700000000 ] - [ -0.0000004500000000, 0.0000002000000000, -0.0000153800000000 ] - [ -0.0000002300000000, 0.0000000700000000, -0.0003646500000000 ] - [ -0.0000002200000000, 0.0000002500000000, -0.0003645900000000 ] - [ -0.0000003800000000, 0.0000001500000000, -0.0003646200000000 ] - [ -0.0000006200000000, 0.0000001500000000, -0.0003646300000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000002100000000, 0.0000512100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000517700000000 ] - [ -0.0000001800000000, 0.0000001000000000, 0.0000512100000000 ] - [ 0.0000001800000000, 0.0000001000000000, 0.0000512100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004472000000000 ] - [ 0.0000000000000000, -0.0000053700000000, -0.0004352100000000 ] - [ 0.0000046500000000, 0.0000026900000000, -0.0004352100000000 ] - [ -0.0000046500000000, 0.0000026900000000, -0.0004352100000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0001945700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001938800000000 ] - [ 0.0000000400000000, -0.0000000300000000, -0.0001945700000000 ] - [ -0.0000000400000000, -0.0000000300000000, -0.0001945700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004682100000000 ] - [ 0.0000000000000000, -0.0002921100000000, -0.0003492800000000 ] - [ 0.0002529700000000, 0.0001460500000000, -0.0003492800000000 ] - [ -0.0002529700000000, 0.0001460500000000, -0.0003492800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000855300000000 ] - [ 0.0000000000000000, 0.0000009300000000, 0.0000865900000000 ] - [ -0.0000008000000000, -0.0000004600000000, 0.0000865900000000 ] - [ 0.0000008000000000, -0.0000004600000000, 0.0000865900000000 ] - [ 0.0080392900000000, -0.0046414900000000, 0.0097254300000000 ] - [ -0.0080392900000000, -0.0046414900000000, 0.0097254300000000 ] - [ 0.0000000000000000, 0.0092829700000000, 0.0097254300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036178500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000273800000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0000267100000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0000267100000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0000267100000000 ] - [ 0.0000000000000000, -0.0002039800000000, -0.0004598700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003126800000000 ] - [ -0.0001766500000000, 0.0001019900000000, -0.0004598700000000 ] - [ 0.0001766500000000, 0.0001019900000000, -0.0004598700000000 ] - [ 0.0000126200000000, -0.0000072900000000, -0.0007076000000000 ] - [ -0.0000126200000000, -0.0000072900000000, -0.0007076000000000 ] - [ 0.0000000000000000, 0.0000145700000000, -0.0007076000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003204300000000 ] - [ 0.0000000000000000, -0.0000002400000000, 0.0003095700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003088100000000 ] - [ -0.0000002100000000, 0.0000001200000000, 0.0003095700000000 ] - [ 0.0000002100000000, 0.0000001200000000, 0.0003095700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0376887200000000 ] - [ 0.0000000000000000, 0.0001402600000000, -0.0023900200000000 ] - [ -0.0001214700000000, -0.0000701300000000, -0.0023900200000000 ] - [ 0.0001214700000000, -0.0000701300000000, -0.0023900200000000 ] - [ -0.0000161300000000, 0.0000093200000000, 0.0002653600000000 ] - [ 0.0000161300000000, 0.0000093200000000, 0.0002653600000000 ] - [ 0.0000000000000000, -0.0000186300000000, 0.0002653600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006474100000000 ] - [ -0.0000005300000000, 0.0000003100000000, 0.0000278100000000 ] - [ 0.0000005300000000, 0.0000003100000000, 0.0000278100000000 ] - [ 0.0000000000000000, -0.0000006100000000, 0.0000278100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000248100000000 ] - [ 0.0000000000000000, 0.0005587000000000, 0.0009424600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002112400000000 ] - [ 0.0004838500000000, -0.0002793500000000, 0.0009424600000000 ] - [ -0.0004838500000000, -0.0002793500000000, 0.0009424600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002601400000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0002600300000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0002600300000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0002600300000000 ] - [ 0.0000000000000000, -0.0040574300000000, 0.0035061800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012960100000000 ] - [ -0.0035138400000000, 0.0020287200000000, 0.0035061800000000 ] - [ 0.0035138400000000, 0.0020287200000000, 0.0035061800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004692900000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0004687400000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0004687400000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0004687400000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0001748700000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0001748700000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0001748700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001753800000000 ] - [ 0.0000000000000000, -0.0000011000000000, 0.0005132200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005107700000000 ] - [ -0.0000009500000000, 0.0000005500000000, 0.0005132200000000 ] - [ 0.0000009500000000, 0.0000005500000000, 0.0005132200000000 ] - [ 0.0000000000000000, -0.0000010100000000, 0.0005145700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005043100000000 ] - [ -0.0000008800000000, 0.0000005100000000, 0.0005145700000000 ] - [ 0.0000008800000000, 0.0000005100000000, 0.0005145700000000 ] - [ -0.0000045900000000, 0.0000026500000000, -0.0005739600000000 ] - [ 0.0000045900000000, 0.0000026500000000, -0.0005739600000000 ] - [ 0.0000000000000000, -0.0000052900000000, -0.0005739600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005748400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003401500000000 ] - [ 0.0000000000000000, -0.0000566700000000, 0.0004343400000000 ] - [ 0.0000490800000000, 0.0000283400000000, 0.0004343400000000 ] - [ -0.0000490800000000, 0.0000283400000000, 0.0004343400000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0000614100000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0000614100000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0000614100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000609300000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0002880000000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0002880000000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0002880000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002887700000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000002400000000, 0.0003588400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003582800000000 ] - [ 0.0000002100000000, -0.0000001200000000, 0.0003588400000000 ] - [ -0.0000002100000000, -0.0000001200000000, 0.0003588400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001210500000000 ] - [ 0.0000000000000000, 0.0000055300000000, -0.0001331200000000 ] - [ -0.0000047900000000, -0.0000027600000000, -0.0001331200000000 ] - [ 0.0000047900000000, -0.0000027600000000, -0.0001331200000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0001134000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001126900000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0001134000000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0001134000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001412900000000 ] - [ 0.0000000000000000, 0.0002996500000000, -0.0002609600000000 ] - [ -0.0002595100000000, -0.0001498300000000, -0.0002609600000000 ] - [ 0.0002595100000000, -0.0001498300000000, -0.0002609600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003956000000000 ] - [ 0.0000000000000000, -0.0000009500000000, 0.0003944000000000 ] - [ 0.0000008300000000, 0.0000004800000000, 0.0003944000000000 ] - [ -0.0000008300000000, 0.0000004800000000, 0.0003944000000000 ] - [ -0.0077984800000000, 0.0045024500000000, -0.0082461200000000 ] - [ 0.0077984800000000, 0.0045024500000000, -0.0082461200000000 ] - [ 0.0000000000000000, -0.0090049100000000, -0.0082461200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022239400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002811500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002804100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002804100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002804100000000 ] - [ 0.0000000000000000, 0.0002026500000000, -0.0000672800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002133800000000 ] - [ 0.0001755000000000, -0.0001013200000000, -0.0000672800000000 ] - [ -0.0001755000000000, -0.0001013200000000, -0.0000672800000000 ] - [ -0.0000130400000000, 0.0000075300000000, -0.0006904700000000 ] - [ 0.0000130400000000, 0.0000075300000000, -0.0006904700000000 ] - [ 0.0000000000000000, -0.0000150500000000, -0.0006904700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010876500000000 ] - [ 0.0000000000000000, 0.0000003000000000, 0.0001594900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001601600000000 ] - [ 0.0000002600000000, -0.0000001500000000, 0.0001594900000000 ] - [ -0.0000002600000000, -0.0000001500000000, 0.0001594900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0360231000000000 ] - [ 0.0000000000000000, -0.0001473900000000, 0.0011546200000000 ] - [ 0.0001276400000000, 0.0000736900000000, 0.0011546200000000 ] - [ -0.0001276400000000, 0.0000736900000000, 0.0011546200000000 ] - [ 0.0000158600000000, -0.0000091600000000, 0.0002773700000000 ] - [ -0.0000158600000000, -0.0000091600000000, 0.0002773700000000 ] - [ 0.0000000000000000, 0.0000183100000000, 0.0002773700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001031800000000 ] - [ 0.0000005600000000, -0.0000003200000000, -0.0001331800000000 ] - [ -0.0000005600000000, -0.0000003200000000, -0.0001331800000000 ] - [ 0.0000000000000000, 0.0000006500000000, -0.0001331800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001302500000000 ] - [ 0.0000000000000000, -0.0005766400000000, -0.0003777000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003779300000000 ] - [ -0.0004993900000000, 0.0002883200000000, -0.0003777000000000 ] - [ 0.0004993900000000, 0.0002883200000000, -0.0003777000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001098800000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0001100600000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0001100600000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0001100600000000 ] - [ 0.0000000000000000, 0.0039983300000000, -0.0040389900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006993300000000 ] - [ 0.0034626500000000, -0.0019991600000000, -0.0040389900000000 ] - [ -0.0034626500000000, -0.0019991600000000, -0.0040389900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003199000000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0003204500000000 ] - [ -0.0000000100000000, -0.0000000100000000, 0.0003204500000000 ] - [ 0.0000000100000000, -0.0000000100000000, 0.0003204500000000 ] - [ -0.0000003300000000, 0.0000001900000000, -0.0003343800000000 ] - [ 0.0000003300000000, 0.0000001900000000, -0.0003343800000000 ] - [ 0.0000000000000000, -0.0000003800000000, -0.0003343800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003332600000000 ] - [ 0.0000000000000000, 0.0000011300000000, 0.0003624700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003649600000000 ] - [ 0.0000009800000000, -0.0000005600000000, 0.0003624700000000 ] - [ -0.0000009800000000, -0.0000005600000000, 0.0003624700000000 ] - [ 0.0000000000000000, 0.0000010400000000, 0.0003580500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003685300000000 ] - [ 0.0000009000000000, -0.0000005200000000, 0.0003580500000000 ] - [ -0.0000009000000000, -0.0000005200000000, 0.0003580500000000 ] - [ 0.0000047000000000, -0.0000027200000000, -0.0007328800000000 ] - [ -0.0000047000000000, -0.0000027200000000, -0.0007328800000000 ] - [ 0.0000000000000000, 0.0000054300000000, -0.0007328800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007318600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003358700000000 ] - [ 0.0000000000000000, 0.0000561900000000, 0.0002423600000000 ] - [ -0.0000486600000000, -0.0000280900000000, 0.0002423600000000 ] - [ 0.0000486600000000, -0.0000280900000000, 0.0002423600000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0000969100000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0000969100000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0000969100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000963900000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0004464300000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0004464300000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0004464300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004455800000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001100000000, -0.0000012500000000, 0.0002051800000000 ] - [ -0.0000001100000000, 0.0000012900000000, 0.0002053000000000 ] - [ -0.0000020500000000, 0.0000000100000000, 0.0002052400000000 ] - [ 0.0000020900000000, 0.0000000100000000, 0.0002052400000000 ] - [ 0.0000000200000000, 0.0000000600000000, -0.0002843200000000 ] - [ 0.0000000100000000, -0.0000000800000000, -0.0002839900000000 ] - [ 0.0000001400000000, 0.0000000200000000, -0.0002841400000000 ] - [ 0.0000003000000000, 0.0000000200000000, -0.0002841400000000 ] - [ -0.0000000400000000, 0.0000001200000000, -0.0000401900000000 ] - [ -0.0000000500000000, -0.0000001300000000, -0.0000408500000000 ] - [ -0.0000005600000000, 0.0000000000000000, -0.0000405100000000 ] - [ -0.0000002500000000, -0.0000000100000000, -0.0000405200000000 ] - [ 0.0000007600000000, -0.0000012700000000, -0.0003043900000000 ] - [ 0.0000002100000000, 0.0000011600000000, -0.0003056300000000 ] - [ -0.0000019000000000, -0.0000000600000000, -0.0003049300000000 ] - [ 0.0000011900000000, -0.0000000700000000, -0.0003049100000000 ] - [ -0.0000037600000000, -0.0000993000000000, 0.0003114200000000 ] - [ -0.0000033000000000, 0.0000993300000000, 0.0001697100000000 ] - [ -0.0001756900000000, 0.0000000200000000, 0.0002404800000000 ] - [ 0.0002066200000000, 0.0000000100000000, 0.0002405600000000 ] - [ -0.0000482100000000, -0.0000010500000000, 0.0006911200000000 ] - [ -0.0000024700000000, -0.0000005700000000, 0.0006923800000000 ] - [ 0.0000399900000000, 0.0000266400000000, 0.0006958200000000 ] - [ 0.0000423600000000, -0.0000237200000000, 0.0006873400000000 ] - [ 0.0000001600000000, 0.0000001200000000, 0.0001268100000000 ] - [ 0.0000001500000000, -0.0000001700000000, 0.0001269700000000 ] - [ 0.0000004100000000, 0.0000000000000000, 0.0001268900000000 ] - [ 0.0000006400000000, -0.0000000100000000, 0.0001269000000000 ] - [ 0.0056078600000000, 0.0030875800000000, -0.0061816300000000 ] - [ 0.0058707500000000, -0.0032860900000000, 0.0059292800000000 ] - [ -0.0009455400000000, -0.0000064500000000, -0.0002688600000000 ] - [ 0.0002206100000000, -0.0000148700000000, -0.0002726500000000 ] - [ 0.0000025200000000, -0.0000001800000000, -0.0006968400000000 ] - [ -0.0000001600000000, -0.0000001700000000, -0.0006968400000000 ] - [ 0.0000003300000000, 0.0000001200000000, -0.0006963400000000 ] - [ 0.0000003400000000, -0.0000004600000000, -0.0006973100000000 ] - [ 0.0000001000000000, 0.0000000600000000, 0.0002323400000000 ] - [ 0.0000000900000000, 0.0000001300000000, 0.0002320400000000 ] - [ -0.0000005800000000, 0.0000001000000000, 0.0002321900000000 ] - [ 0.0000001600000000, 0.0000001000000000, 0.0002321900000000 ] - [ -0.0000044900000000, 0.0000048400000000, -0.0006359000000000 ] - [ -0.0000049400000000, -0.0000037600000000, -0.0006040800000000 ] - [ 0.0000027300000000, 0.0000005000000000, -0.0006207400000000 ] - [ 0.0000874400000000, -0.0000006500000000, -0.0006204300000000 ] - [ -0.0268042500000000, 0.0001997600000000, 0.0000024100000000 ] - [ 0.0107591000000000, 0.0000054000000000, 0.0002709400000000 ] - [ 0.0019949400000000, -0.0050679700000000, 0.0000839800000000 ] - [ 0.0019853700000000, 0.0050567500000000, 0.0004656000000000 ] - [ 0.0000285700000000, 0.0000000300000000, -0.0000500600000000 ] - [ -0.0000063900000000, 0.0000001600000000, -0.0000504400000000 ] - [ -0.0000477200000000, -0.0000237300000000, -0.0002200200000000 ] - [ -0.0000474600000000, 0.0000238400000000, 0.0001197300000000 ] - [ 0.0000008200000000, 0.0000007800000000, 0.0002882400000000 ] - [ 0.0000008300000000, -0.0000004800000000, 0.0002921800000000 ] - [ -0.0000019400000000, 0.0000001500000000, 0.0002902300000000 ] - [ -0.0000002600000000, 0.0000001300000000, 0.0002902100000000 ] - [ 0.0000006300000000, -0.0000000900000000, 0.0001827200000000 ] - [ 0.0000006200000000, -0.0000004400000000, 0.0001828800000000 ] - [ 0.0000009200000000, -0.0000002600000000, 0.0001827900000000 ] - [ 0.0000000900000000, -0.0000002600000000, 0.0001828000000000 ] - [ 0.0002862000000000, 0.0002289900000000, 0.0001474000000000 ] - [ 0.0002906400000000, -0.0002353900000000, -0.0007576700000000 ] - [ -0.0000416900000000, -0.0000003600000000, -0.0002991800000000 ] - [ -0.0001137100000000, -0.0000027100000000, -0.0002957600000000 ] - [ 0.0000002800000000, -0.0000006200000000, 0.0003906800000000 ] - [ 0.0000002700000000, 0.0000001300000000, 0.0003941000000000 ] - [ -0.0000003700000000, -0.0000002300000000, 0.0003923800000000 ] - [ 0.0000009400000000, -0.0000002400000000, 0.0003924000000000 ] - [ 0.0000005800000000, -0.0000000900000000, -0.0002516400000000 ] - [ 0.0000002800000000, -0.0000000900000000, -0.0002516400000000 ] - [ 0.0000002200000000, -0.0000001300000000, -0.0002517600000000 ] - [ 0.0000002200000000, -0.0000000600000000, -0.0002515100000000 ] - [ 0.0000085200000000, 0.0000312400000000, 0.0005010900000000 ] - [ 0.0000086000000000, -0.0000309900000000, 0.0003707000000000 ] - [ 0.0000282500000000, 0.0000000000000000, 0.0004358400000000 ] - [ -0.0000453300000000, 0.0000000800000000, 0.0004357500000000 ] - [ -0.0000002200000000, 0.0000002800000000, 0.0004343000000000 ] - [ -0.0000002200000000, 0.0000002000000000, 0.0004338100000000 ] - [ -0.0000000200000000, 0.0000002500000000, 0.0004340600000000 ] - [ -0.0000003000000000, 0.0000002400000000, 0.0004340700000000 ] - [ 0.0000005600000000, -0.0000001200000000, -0.0006506000000000 ] - [ 0.0000002300000000, -0.0000001200000000, -0.0006506000000000 ] - [ 0.0000002400000000, -0.0000001200000000, -0.0006506100000000 ] - [ 0.0000002400000000, -0.0000001300000000, -0.0006506000000000 ] - [ 0.0018117700000000, -0.0022199800000000, -0.0031358300000000 ] - [ 0.0018084900000000, 0.0022419900000000, 0.0038363600000000 ] - [ -0.0020539800000000, 0.0000064500000000, 0.0003298800000000 ] - [ -0.0007496000000000, 0.0000044300000000, 0.0003348300000000 ] - [ 0.0000021300000000, 0.0000002000000000, -0.0000153500000000 ] - [ -0.0000008000000000, 0.0000001900000000, -0.0000153300000000 ] - [ -0.0000003900000000, 0.0000004300000000, -0.0000150700000000 ] - [ -0.0000004000000000, -0.0000000300000000, -0.0000156200000000 ] - [ 0.0000000200000000, 0.0000001600000000, -0.0003645800000000 ] - [ -0.0000005500000000, 0.0000001600000000, -0.0003645800000000 ] - [ 0.0000006400000000, 0.0000008400000000, -0.0003646100000000 ] - [ 0.0000006400000000, -0.0000005300000000, -0.0003645600000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000030800000000, 0.0000017800000000, 0.0000451700000000 ] - [ -0.0000030800000000, 0.0000017800000000, 0.0000451700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000480100000000 ] - [ 0.0000000000000000, -0.0000035600000000, 0.0000451700000000 ] - [ -0.0000002500000000, 0.0000001400000000, -0.0004427600000000 ] - [ 0.0000002500000000, 0.0000001400000000, -0.0004427600000000 ] - [ 0.0000000000000000, -0.0000002900000000, -0.0004427600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004421000000000 ] - [ 0.0000003300000000, 0.0000001900000000, -0.0001996800000000 ] - [ -0.0000003300000000, 0.0000001900000000, -0.0001996800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001995100000000 ] - [ 0.0000000000000000, -0.0000003800000000, -0.0001996800000000 ] - [ -0.0000084400000000, 0.0000048700000000, -0.0004593900000000 ] - [ 0.0000084400000000, 0.0000048700000000, -0.0004593900000000 ] - [ 0.0000000000000000, -0.0000097500000000, -0.0004593900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004644000000000 ] - [ 0.0000023700000000, -0.0000013700000000, 0.0000921600000000 ] - [ -0.0000023700000000, -0.0000013700000000, 0.0000921600000000 ] - [ 0.0000000000000000, 0.0000027400000000, 0.0000921600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000419500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005238500000000 ] - [ 0.0000000000000000, 0.0002704300000000, 0.0006217000000000 ] - [ -0.0002342000000000, -0.0001352100000000, 0.0006217000000000 ] - [ 0.0002342000000000, -0.0001352100000000, 0.0006217000000000 ] - [ -0.0000001500000000, 0.0000000900000000, -0.0000321000000000 ] - [ 0.0000001500000000, 0.0000000900000000, -0.0000321000000000 ] - [ 0.0000000000000000, -0.0000001700000000, -0.0000321000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000315400000000 ] - [ -0.0080261600000000, -0.0046339000000000, 0.0087937300000000 ] - [ 0.0080261600000000, -0.0046339000000000, 0.0087937300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026766600000000 ] - [ 0.0000000000000000, 0.0092678100000000, 0.0087937300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006110000000000 ] - [ 0.0000000000000000, -0.0000009600000000, -0.0006210500000000 ] - [ 0.0000008300000000, 0.0000004800000000, -0.0006210500000000 ] - [ -0.0000008300000000, 0.0000004800000000, -0.0006210500000000 ] - [ 0.0000000900000000, 0.0000000500000000, 0.0003120100000000 ] - [ -0.0000000900000000, 0.0000000500000000, 0.0003120100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003114700000000 ] - [ 0.0000000000000000, -0.0000001000000000, 0.0003120100000000 ] - [ -0.0000106500000000, 0.0000061500000000, -0.0006280400000000 ] - [ 0.0000106500000000, 0.0000061500000000, -0.0006280400000000 ] - [ 0.0000000000000000, -0.0000122900000000, -0.0006280400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002519300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0367220700000000 ] - [ 0.0000000000000000, 0.0002162700000000, -0.0015367900000000 ] - [ -0.0001873000000000, -0.0001081400000000, -0.0015367900000000 ] - [ 0.0001873000000000, -0.0001081400000000, -0.0015367900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000655000000000 ] - [ 0.0000000000000000, -0.0000357200000000, 0.0000782300000000 ] - [ 0.0000309300000000, 0.0000178600000000, 0.0000782300000000 ] - [ -0.0000309300000000, 0.0000178600000000, 0.0000782300000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0003716600000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0003716600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003617200000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0003716600000000 ] - [ -0.0000002000000000, 0.0000001200000000, 0.0002625300000000 ] - [ 0.0000002000000000, 0.0000001200000000, 0.0002625300000000 ] - [ 0.0000000000000000, -0.0000002300000000, 0.0002625300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002617000000000 ] - [ 0.0004448100000000, 0.0002568100000000, 0.0003192900000000 ] - [ -0.0004448100000000, 0.0002568100000000, 0.0003192900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002686600000000 ] - [ 0.0000000000000000, -0.0005136200000000, 0.0003192900000000 ] - [ -0.0000010300000000, 0.0000005900000000, 0.0004727000000000 ] - [ 0.0000010300000000, 0.0000005900000000, 0.0004727000000000 ] - [ 0.0000000000000000, -0.0000011900000000, 0.0004727000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004704900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001732500000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0001727700000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0001727700000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0001727700000000 ] - [ 0.0000320200000000, 0.0000184900000000, 0.0005290400000000 ] - [ -0.0000320200000000, 0.0000184900000000, 0.0005290400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004692200000000 ] - [ 0.0000000000000000, -0.0000369700000000, 0.0005290400000000 ] - [ 0.0000002400000000, 0.0000001400000000, 0.0005141100000000 ] - [ -0.0000002400000000, 0.0000001400000000, 0.0005141100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005134400000000 ] - [ 0.0000000000000000, -0.0000002800000000, 0.0005141100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005717100000000 ] - [ 0.0000000000000000, -0.0000001200000000, -0.0005716900000000 ] - [ 0.0000001100000000, 0.0000000600000000, -0.0005716900000000 ] - [ -0.0000001100000000, 0.0000000600000000, -0.0005716900000000 ] - [ -0.0035395900000000, 0.0020435800000000, 0.0041423700000000 ] - [ 0.0035395900000000, 0.0020435800000000, 0.0041423700000000 ] - [ 0.0000000000000000, -0.0040871600000000, 0.0041423700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006595600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000699400000000 ] - [ 0.0000000000000000, -0.0000002400000000, 0.0000617300000000 ] - [ 0.0000002100000000, 0.0000001200000000, 0.0000617300000000 ] - [ -0.0000002100000000, 0.0000001200000000, 0.0000617300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002854800000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0002860900000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0002860900000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0002860900000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000029900000000, -0.0000017300000000, 0.0003636000000000 ] - [ 0.0000029900000000, -0.0000017300000000, 0.0003636000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003607500000000 ] - [ 0.0000000000000000, 0.0000034600000000, 0.0003636000000000 ] - [ 0.0000002100000000, -0.0000001200000000, -0.0001257800000000 ] - [ -0.0000002100000000, -0.0000001200000000, -0.0001257800000000 ] - [ 0.0000000000000000, 0.0000002400000000, -0.0001257800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001264200000000 ] - [ -0.0000003100000000, -0.0000001800000000, 0.0001174100000000 ] - [ 0.0000003100000000, -0.0000001800000000, 0.0001174100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001172900000000 ] - [ 0.0000000000000000, 0.0000003500000000, 0.0001174100000000 ] - [ 0.0000086400000000, -0.0000049900000000, -0.0001453100000000 ] - [ -0.0000086400000000, -0.0000049900000000, -0.0001453100000000 ] - [ 0.0000000000000000, 0.0000099700000000, -0.0001453100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001402000000000 ] - [ -0.0000025500000000, 0.0000014700000000, 0.0003886400000000 ] - [ 0.0000025500000000, 0.0000014700000000, 0.0003886400000000 ] - [ 0.0000000000000000, -0.0000029500000000, 0.0003886400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004380200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008640300000000 ] - [ 0.0000000000000000, -0.0002778100000000, 0.0007641700000000 ] - [ 0.0002405900000000, 0.0001389100000000, 0.0007641700000000 ] - [ -0.0002405900000000, 0.0001389100000000, 0.0007641700000000 ] - [ 0.0000001300000000, -0.0000000800000000, 0.0002849800000000 ] - [ -0.0000001300000000, -0.0000000800000000, 0.0002849800000000 ] - [ 0.0000000000000000, 0.0000001500000000, 0.0002849800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002844500000000 ] - [ 0.0077851200000000, 0.0044947400000000, -0.0092291900000000 ] - [ -0.0077851200000000, 0.0044947400000000, -0.0092291900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031974500000000 ] - [ 0.0000000000000000, -0.0089894800000000, -0.0092291900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007885900000000 ] - [ 0.0000000000000000, 0.0000009700000000, -0.0007785300000000 ] - [ -0.0000008400000000, -0.0000004800000000, -0.0007785300000000 ] - [ 0.0000008400000000, -0.0000004800000000, -0.0007785300000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0001565400000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0001565400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001571100000000 ] - [ 0.0000000000000000, 0.0000001000000000, 0.0001565400000000 ] - [ 0.0000109300000000, -0.0000063100000000, -0.0006155300000000 ] - [ -0.0000109300000000, -0.0000063100000000, -0.0006155300000000 ] - [ 0.0000000000000000, 0.0000126200000000, -0.0006155300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010013400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0368383400000000 ] - [ 0.0000000000000000, -0.0002246700000000, 0.0020919100000000 ] - [ 0.0001945700000000, 0.0001123400000000, 0.0020919100000000 ] - [ -0.0001945700000000, 0.0001123400000000, 0.0020919100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000403600000000 ] - [ 0.0000000000000000, 0.0000357000000000, -0.0001831200000000 ] - [ -0.0000309200000000, -0.0000178500000000, -0.0001831200000000 ] - [ 0.0000309200000000, -0.0000178500000000, -0.0001831200000000 ] - [ -0.0000001000000000, -0.0000000600000000, 0.0002121700000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0002121700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002221500000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0002121700000000 ] - [ 0.0000002400000000, -0.0000001400000000, 0.0001069400000000 ] - [ -0.0000002400000000, -0.0000001400000000, 0.0001069400000000 ] - [ 0.0000000000000000, 0.0000002700000000, 0.0001069400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001076200000000 ] - [ -0.0004592800000000, -0.0002651700000000, -0.0009353200000000 ] - [ 0.0004592800000000, -0.0002651700000000, -0.0009353200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003247400000000 ] - [ 0.0000000000000000, 0.0005303300000000, -0.0009353200000000 ] - [ 0.0000010200000000, -0.0000005900000000, 0.0003165200000000 ] - [ -0.0000010200000000, -0.0000005900000000, 0.0003165200000000 ] - [ 0.0000000000000000, 0.0000011800000000, 0.0003165200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003186900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003348300000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0003351900000000 ] - [ -0.0000000300000000, -0.0000000100000000, -0.0003351900000000 ] - [ 0.0000000300000000, -0.0000000100000000, -0.0003351900000000 ] - [ -0.0000316900000000, -0.0000183000000000, 0.0003462700000000 ] - [ 0.0000316900000000, -0.0000183000000000, 0.0003462700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004059600000000 ] - [ 0.0000000000000000, 0.0000366000000000, 0.0003462700000000 ] - [ -0.0000002800000000, -0.0000001600000000, 0.0003576100000000 ] - [ 0.0000002800000000, -0.0000001600000000, 0.0003576100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003582000000000 ] - [ 0.0000000000000000, 0.0000003300000000, 0.0003576100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007343100000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0007342500000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0007342500000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0007342500000000 ] - [ 0.0034879900000000, -0.0020137900000000, -0.0034029500000000 ] - [ -0.0034879900000000, -0.0020137900000000, -0.0034029500000000 ] - [ 0.0000000000000000, 0.0040275900000000, -0.0034029500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013357600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001047500000000 ] - [ 0.0000000000000000, 0.0000002400000000, -0.0000966800000000 ] - [ -0.0000002100000000, -0.0000001200000000, -0.0000966800000000 ] - [ 0.0000002100000000, -0.0000001200000000, -0.0000966800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004478100000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0004474300000000 ] - [ 0.0000000300000000, 0.0000000100000000, -0.0004474300000000 ] - [ -0.0000000300000000, 0.0000000100000000, -0.0004474300000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000038200000000, 0.0000986500000000, 0.0002756000000000 ] - [ -0.0000033300000000, -0.0000986400000000, 0.0001349500000000 ] - [ 0.0002048400000000, -0.0000000300000000, 0.0002052600000000 ] - [ -0.0001745700000000, -0.0000000300000000, 0.0002052100000000 ] - [ 0.0000001200000000, -0.0000001500000000, -0.0002838600000000 ] - [ 0.0000001100000000, 0.0000001100000000, -0.0002845100000000 ] - [ -0.0000001100000000, 0.0000000100000000, -0.0002841800000000 ] - [ -0.0000003700000000, 0.0000000100000000, -0.0002841700000000 ] - [ 0.0000001400000000, -0.0000001600000000, -0.0000406700000000 ] - [ 0.0000001300000000, 0.0000001400000000, -0.0000404400000000 ] - [ 0.0000006100000000, -0.0000000100000000, -0.0000405400000000 ] - [ 0.0000004000000000, -0.0000000100000000, -0.0000405500000000 ] - [ 0.0000000800000000, -0.0000000400000000, -0.0003050900000000 ] - [ 0.0000000600000000, -0.0000000800000000, -0.0003048100000000 ] - [ 0.0000001000000000, -0.0000000700000000, -0.0003049600000000 ] - [ 0.0000003900000000, -0.0000000900000000, -0.0003049600000000 ] - [ 0.0056110600000000, -0.0030931400000000, -0.0056731300000000 ] - [ 0.0058732200000000, 0.0032912500000000, 0.0064281100000000 ] - [ 0.0002141600000000, 0.0000150600000000, 0.0002311400000000 ] - [ -0.0009369600000000, 0.0000064100000000, 0.0002350700000000 ] - [ -0.0000013800000000, 0.0000000200000000, 0.0006918700000000 ] - [ 0.0000011300000000, 0.0000000500000000, 0.0006918900000000 ] - [ 0.0000004400000000, -0.0000003000000000, 0.0006916400000000 ] - [ 0.0000005000000000, 0.0000004600000000, 0.0006920700000000 ] - [ 0.0000000400000000, 0.0000012300000000, 0.0001268200000000 ] - [ 0.0000000300000000, -0.0000013000000000, 0.0001268900000000 ] - [ 0.0000022200000000, 0.0000000000000000, 0.0001268600000000 ] - [ -0.0000019100000000, -0.0000000100000000, 0.0001268700000000 ] - [ 0.0000034800000000, 0.0000313400000000, -0.0002505500000000 ] - [ 0.0000051200000000, -0.0000302000000000, -0.0002773400000000 ] - [ -0.0001475400000000, -0.0000027700000000, -0.0002638600000000 ] - [ -0.0000489900000000, -0.0000000200000000, -0.0002631200000000 ] - [ 0.0000005900000000, -0.0000001700000000, -0.0006968600000000 ] - [ 0.0000002500000000, -0.0000001700000000, -0.0006968600000000 ] - [ 0.0000002700000000, -0.0000001700000000, -0.0006968600000000 ] - [ 0.0000002700000000, -0.0000001800000000, -0.0006968700000000 ] - [ -0.0000001800000000, 0.0000004500000000, 0.0002304400000000 ] - [ -0.0000001700000000, -0.0000002700000000, 0.0002338400000000 ] - [ 0.0000004900000000, 0.0000001000000000, 0.0002321400000000 ] - [ -0.0000008000000000, 0.0000001000000000, 0.0002321400000000 ] - [ -0.0000003100000000, 0.0000005700000000, -0.0006207200000000 ] - [ -0.0000003300000000, 0.0000000500000000, -0.0006197500000000 ] - [ 0.0000001300000000, 0.0000003000000000, -0.0006202500000000 ] - [ -0.0000005900000000, 0.0000003000000000, -0.0006202300000000 ] - [ 0.0000279400000000, 0.0000000200000000, 0.0002743800000000 ] - [ -0.0000070000000000, -0.0000003400000000, 0.0002736000000000 ] - [ -0.0000485100000000, -0.0000228200000000, 0.0003051100000000 ] - [ -0.0000474400000000, 0.0000245000000000, 0.0002432200000000 ] - [ -0.0269319800000000, -0.0002000900000000, -0.0003171300000000 ] - [ 0.0107433300000000, -0.0000055800000000, -0.0000532200000000 ] - [ 0.0019854900000000, -0.0050470700000000, 0.0001089100000000 ] - [ 0.0019953600000000, 0.0050591300000000, -0.0002072200000000 ] - [ -0.0000002900000000, 0.0000001200000000, 0.0002903700000000 ] - [ -0.0000002900000000, 0.0000001600000000, 0.0002899700000000 ] - [ -0.0000000400000000, 0.0000001400000000, 0.0002901800000000 ] - [ -0.0000002700000000, 0.0000001400000000, 0.0002901800000000 ] - [ 0.0000006700000000, -0.0000002300000000, 0.0001829100000000 ] - [ 0.0000006600000000, -0.0000003000000000, 0.0001825900000000 ] - [ 0.0000007300000000, -0.0000002700000000, 0.0001827500000000 ] - [ -0.0000000200000000, -0.0000002600000000, 0.0001827600000000 ] - [ 0.0000012900000000, 0.0000001900000000, -0.0002996600000000 ] - [ 0.0000012800000000, -0.0000007900000000, -0.0003000300000000 ] - [ -0.0000013100000000, -0.0000003200000000, -0.0002998300000000 ] - [ 0.0000004300000000, -0.0000003000000000, -0.0002997800000000 ] - [ 0.0000088900000000, -0.0000309200000000, 0.0004570800000000 ] - [ 0.0000089600000000, 0.0000303200000000, 0.0003276900000000 ] - [ -0.0000441200000000, -0.0000002600000000, 0.0003922400000000 ] - [ 0.0000286500000000, -0.0000001900000000, 0.0003923500000000 ] - [ 0.0000026100000000, -0.0000001000000000, -0.0002516600000000 ] - [ -0.0000002900000000, -0.0000001000000000, -0.0002516600000000 ] - [ 0.0000001300000000, 0.0000001400000000, -0.0002519200000000 ] - [ 0.0000001300000000, -0.0000003400000000, -0.0002514200000000 ] - [ 0.0018089600000000, 0.0022072900000000, -0.0030316100000000 ] - [ 0.0018059000000000, -0.0022294700000000, 0.0039309200000000 ] - [ -0.0007420300000000, -0.0000046400000000, 0.0004342900000000 ] - [ -0.0020348500000000, -0.0000066200000000, 0.0004292900000000 ] - [ 0.0000002800000000, 0.0000000600000000, 0.0004339300000000 ] - [ 0.0000002700000000, 0.0000004000000000, 0.0004340900000000 ] - [ -0.0000002500000000, 0.0000002300000000, 0.0004340200000000 ] - [ 0.0000005700000000, 0.0000002400000000, 0.0004340200000000 ] - [ 0.0000005300000000, -0.0000001300000000, -0.0006506300000000 ] - [ -0.0000000400000000, -0.0000001300000000, -0.0006506300000000 ] - [ 0.0000011600000000, 0.0000005600000000, -0.0006506100000000 ] - [ 0.0000011600000000, -0.0000008200000000, -0.0006506700000000 ] - [ 0.0004680800000000, -0.0002778000000000, 0.0008176800000000 ] - [ 0.0004741500000000, 0.0002833600000000, -0.0001569900000000 ] - [ -0.0000148400000000, 0.0000035000000000, 0.0003401900000000 ] - [ -0.0000216200000000, -0.0000001800000000, 0.0003366600000000 ] - [ 0.0000278100000000, 0.0000001100000000, -0.0000153600000000 ] - [ -0.0000061000000000, 0.0000000000000000, -0.0000157100000000 ] - [ -0.0000462800000000, -0.0000231700000000, 0.0001528300000000 ] - [ -0.0000465400000000, 0.0000233800000000, -0.0001837000000000 ] - [ 0.0000001700000000, 0.0000001600000000, -0.0003646200000000 ] - [ -0.0000001200000000, 0.0000001500000000, -0.0003646100000000 ] - [ -0.0000001800000000, 0.0000001100000000, -0.0003644800000000 ] - [ -0.0000001900000000, 0.0000001900000000, -0.0003647400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000024100000000, 0.0000013900000000, 0.0000580700000000 ] - [ -0.0000024100000000, 0.0000013900000000, 0.0000580700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000081700000000 ] - [ 0.0000000000000000, -0.0000027800000000, 0.0000580700000000 ] - [ 0.0000003000000000, -0.0000001700000000, -0.0004407900000000 ] - [ -0.0000003000000000, -0.0000001700000000, -0.0004407900000000 ] - [ 0.0000000000000000, 0.0000003400000000, -0.0004407900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004406100000000 ] - [ -0.0000001000000000, -0.0000000600000000, -0.0001977700000000 ] - [ 0.0000001000000000, -0.0000000600000000, -0.0001977700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001971200000000 ] - [ 0.0000000000000000, 0.0000001100000000, -0.0001977700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004589800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004589800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004589800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004580500000000 ] - [ -0.0080283800000000, 0.0046351900000000, 0.0092663900000000 ] - [ 0.0080283800000000, 0.0046351900000000, 0.0092663900000000 ] - [ 0.0000000000000000, -0.0092703700000000, 0.0092663900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031585500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005322000000000 ] - [ 0.0000000000000000, 0.0000012800000000, 0.0005383000000000 ] - [ -0.0000011100000000, -0.0000006400000000, 0.0005383000000000 ] - [ 0.0000011100000000, -0.0000006400000000, 0.0005383000000000 ] - [ 0.0000030200000000, -0.0000017400000000, -0.0000308000000000 ] - [ -0.0000030200000000, -0.0000017400000000, -0.0000308000000000 ] - [ 0.0000000000000000, 0.0000034900000000, -0.0000308000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000279800000000 ] - [ -0.0000347700000000, -0.0000200700000000, -0.0002754400000000 ] - [ 0.0000347700000000, -0.0000200700000000, -0.0002754400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006156600000000 ] - [ 0.0000000000000000, 0.0000401500000000, -0.0002754400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006218600000000 ] - [ 0.0000000000000000, 0.0000000800000000, -0.0006219400000000 ] - [ -0.0000000700000000, -0.0000000400000000, -0.0006219400000000 ] - [ 0.0000000700000000, -0.0000000400000000, -0.0006219400000000 ] - [ -0.0000010200000000, -0.0000005900000000, 0.0003143100000000 ] - [ 0.0000010200000000, -0.0000005900000000, 0.0003143100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003121700000000 ] - [ 0.0000000000000000, 0.0000011700000000, 0.0003143100000000 ] - [ 0.0000026700000000, -0.0000015400000000, -0.0005452700000000 ] - [ -0.0000026700000000, -0.0000015400000000, -0.0005452700000000 ] - [ 0.0000000000000000, 0.0000030800000000, -0.0005452700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005480900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002587100000000 ] - [ 0.0000000000000000, 0.0001935100000000, 0.0004000400000000 ] - [ -0.0001675900000000, -0.0000967600000000, 0.0004000400000000 ] - [ 0.0001675900000000, -0.0000967600000000, 0.0004000400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0372717300000000 ] - [ 0.0000000000000000, -0.0001788900000000, -0.0017501500000000 ] - [ 0.0001549200000000, 0.0000894400000000, -0.0017501500000000 ] - [ -0.0001549200000000, 0.0000894400000000, -0.0017501500000000 ] - [ 0.0000002300000000, 0.0000001300000000, 0.0003722300000000 ] - [ -0.0000002300000000, 0.0000001300000000, 0.0003722300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003722700000000 ] - [ 0.0000000000000000, -0.0000002700000000, 0.0003722300000000 ] - [ 0.0000001200000000, -0.0000000700000000, 0.0002643900000000 ] - [ -0.0000001200000000, -0.0000000700000000, 0.0002643900000000 ] - [ 0.0000000000000000, 0.0000001400000000, 0.0002643900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002637700000000 ] - [ -0.0000020600000000, -0.0000011900000000, -0.0002155400000000 ] - [ 0.0000020600000000, -0.0000011900000000, -0.0002155400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002255800000000 ] - [ 0.0000000000000000, 0.0000023800000000, -0.0002155400000000 ] - [ 0.0000318800000000, -0.0000184100000000, 0.0004877200000000 ] - [ -0.0000318800000000, -0.0000184100000000, 0.0004877200000000 ] - [ 0.0000000000000000, 0.0000368100000000, 0.0004877200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004283400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001698600000000 ] - [ 0.0000000000000000, 0.0000002500000000, -0.0001778800000000 ] - [ -0.0000002200000000, -0.0000001300000000, -0.0001778800000000 ] - [ 0.0000002200000000, -0.0000001300000000, -0.0001778800000000 ] - [ -0.0035301300000000, -0.0020381200000000, 0.0042325500000000 ] - [ 0.0035301300000000, -0.0020381200000000, 0.0042325500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005373200000000 ] - [ 0.0000000000000000, 0.0040762400000000, 0.0042325500000000 ] - [ -0.0000002400000000, -0.0000001400000000, 0.0005164500000000 ] - [ 0.0000002400000000, -0.0000001400000000, 0.0005164500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005156700000000 ] - [ 0.0000000000000000, 0.0000002700000000, 0.0005164500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005752000000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0005755900000000 ] - [ 0.0000000400000000, 0.0000000300000000, -0.0005755900000000 ] - [ -0.0000000400000000, 0.0000000300000000, -0.0005755900000000 ] - [ 0.0006208000000000, -0.0003584200000000, 0.0009858500000000 ] - [ -0.0006208000000000, -0.0003584200000000, 0.0009858500000000 ] - [ 0.0000000000000000, 0.0007168400000000, 0.0009858500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002611700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000322800000000 ] - [ 0.0000000000000000, 0.0000356800000000, 0.0001089500000000 ] - [ -0.0000309000000000, -0.0000178400000000, 0.0001089500000000 ] - [ 0.0000309000000000, -0.0000178400000000, 0.0001089500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002889100000000 ] - [ 0.0000000000000000, 0.0000000600000000, -0.0002886900000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0002886900000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0002886900000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000024800000000, -0.0000014300000000, 0.0003510400000000 ] - [ 0.0000024800000000, -0.0000014300000000, 0.0003510400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004003800000000 ] - [ 0.0000000000000000, 0.0000028600000000, 0.0003510400000000 ] - [ -0.0000003300000000, 0.0000001900000000, -0.0001275800000000 ] - [ 0.0000003300000000, 0.0000001900000000, -0.0001275800000000 ] - [ 0.0000000000000000, -0.0000003900000000, -0.0001275800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001277300000000 ] - [ 0.0000001300000000, 0.0000000700000000, 0.0001156800000000 ] - [ -0.0000001300000000, 0.0000000700000000, 0.0001156800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001151100000000 ] - [ 0.0000000000000000, -0.0000001500000000, 0.0001156800000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0001456300000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0001456300000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0001456300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001466300000000 ] - [ 0.0077878800000000, -0.0044963300000000, -0.0086937300000000 ] - [ -0.0077878800000000, -0.0044963300000000, -0.0086937300000000 ] - [ 0.0000000000000000, 0.0089926700000000, -0.0086937300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026714500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008564200000000 ] - [ 0.0000000000000000, -0.0000010900000000, 0.0008504700000000 ] - [ 0.0000009400000000, 0.0000005500000000, 0.0008504700000000 ] - [ -0.0000009400000000, 0.0000005500000000, 0.0008504700000000 ] - [ -0.0000030300000000, 0.0000017500000000, 0.0002838900000000 ] - [ 0.0000030300000000, 0.0000017500000000, 0.0002838900000000 ] - [ 0.0000000000000000, -0.0000035000000000, 0.0002838900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002810700000000 ] - [ 0.0000364200000000, 0.0000210300000000, -0.0002552500000000 ] - [ -0.0000364200000000, 0.0000210300000000, -0.0002552500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000938800000000 ] - [ 0.0000000000000000, -0.0000420600000000, -0.0002552500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007788800000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0007791200000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0007791200000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0007791200000000 ] - [ 0.0000010100000000, 0.0000005800000000, 0.0001561700000000 ] - [ -0.0000010100000000, 0.0000005800000000, 0.0001561700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001583400000000 ] - [ 0.0000000000000000, -0.0000011700000000, 0.0001561700000000 ] - [ -0.0000027100000000, 0.0000015600000000, -0.0007016200000000 ] - [ 0.0000027100000000, 0.0000015600000000, -0.0007016200000000 ] - [ 0.0000000000000000, -0.0000031200000000, -0.0007016200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006986600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002866400000000 ] - [ 0.0000000000000000, -0.0001987800000000, 0.0001414200000000 ] - [ 0.0001721500000000, 0.0000993900000000, 0.0001414200000000 ] - [ -0.0001721500000000, 0.0000993900000000, 0.0001414200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0367269700000000 ] - [ 0.0000000000000000, 0.0001865500000000, 0.0016526200000000 ] - [ -0.0001615500000000, -0.0000932700000000, 0.0016526200000000 ] - [ 0.0001615500000000, -0.0000932700000000, 0.0016526200000000 ] - [ -0.0000002500000000, -0.0000001400000000, 0.0002135600000000 ] - [ 0.0000002500000000, -0.0000001400000000, 0.0002135600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002133100000000 ] - [ 0.0000000000000000, 0.0000002900000000, 0.0002135600000000 ] - [ -0.0000000600000000, 0.0000000400000000, 0.0001068300000000 ] - [ 0.0000000600000000, 0.0000000400000000, 0.0001068300000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0001068300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001073200000000 ] - [ 0.0000021100000000, 0.0000012200000000, -0.0003797400000000 ] - [ -0.0000021100000000, 0.0000012200000000, -0.0003797400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003696000000000 ] - [ 0.0000000000000000, -0.0000024400000000, -0.0003797400000000 ] - [ -0.0000316100000000, 0.0000182500000000, 0.0003035300000000 ] - [ 0.0000316100000000, 0.0000182500000000, 0.0003035300000000 ] - [ 0.0000000000000000, -0.0000365000000000, 0.0003035300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003625200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003397200000000 ] - [ 0.0000000000000000, -0.0000002500000000, -0.0003316400000000 ] - [ 0.0000002100000000, 0.0000001200000000, -0.0003316400000000 ] - [ -0.0000002100000000, 0.0000001200000000, -0.0003316400000000 ] - [ 0.0034785600000000, 0.0020083500000000, -0.0032918400000000 ] - [ -0.0034785600000000, 0.0020083500000000, -0.0032918400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014147600000000 ] - [ 0.0000000000000000, -0.0040166900000000, -0.0032918400000000 ] - [ 0.0000001900000000, 0.0000001100000000, 0.0003570000000000 ] - [ -0.0000001900000000, 0.0000001100000000, 0.0003570000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003577000000000 ] - [ 0.0000000000000000, -0.0000002200000000, 0.0003570000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007321400000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0007316900000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0007316900000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0007316900000000 ] - [ -0.0006408600000000, 0.0003700000000000, -0.0003297300000000 ] - [ 0.0006408600000000, 0.0003700000000000, -0.0003297300000000 ] - [ 0.0000000000000000, -0.0007400000000000, -0.0003297300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004215000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000048400000000 ] - [ 0.0000000000000000, -0.0000357600000000, -0.0001452700000000 ] - [ 0.0000309700000000, 0.0000178800000000, -0.0001452700000000 ] - [ -0.0000309700000000, 0.0000178800000000, -0.0001452700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004457800000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0004462200000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0004462200000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0004462200000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000004400000000, 0.0000000200000000, 0.0002047800000000 ] - [ 0.0000000900000000, 0.0000000100000000, 0.0002047700000000 ] - [ 0.0000002900000000, 0.0000001200000000, 0.0002047500000000 ] - [ 0.0000002700000000, -0.0000000900000000, 0.0002047900000000 ] - [ 0.0001428900000000, -0.0000001200000000, -0.0002846500000000 ] - [ -0.0001113000000000, 0.0000000400000000, -0.0002845900000000 ] - [ -0.0000119700000000, 0.0000892500000000, -0.0003778300000000 ] - [ -0.0000117300000000, -0.0000894200000000, -0.0001912000000000 ] - [ 0.0000040600000000, -0.0000000100000000, -0.0000409900000000 ] - [ -0.0000036300000000, 0.0000000000000000, -0.0000409800000000 ] - [ -0.0000001300000000, 0.0000020200000000, -0.0000394800000000 ] - [ -0.0000001200000000, -0.0000020300000000, -0.0000424800000000 ] - [ 0.0002121200000000, -0.0000151600000000, -0.0002960500000000 ] - [ -0.0009388200000000, -0.0000065000000000, -0.0003000300000000 ] - [ 0.0058867200000000, -0.0033003800000000, -0.0065068700000000 ] - [ 0.0056242300000000, 0.0031017600000000, 0.0056216400000000 ] - [ 0.0000000400000000, 0.0000000100000000, 0.0002400800000000 ] - [ 0.0000002800000000, -0.0000000100000000, 0.0002400900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002399000000000 ] - [ -0.0000000200000000, -0.0000000600000000, 0.0002402400000000 ] - [ 0.0000048900000000, 0.0000305400000000, 0.0007054900000000 ] - [ 0.0000033100000000, -0.0000315700000000, 0.0006782300000000 ] - [ -0.0001486000000000, 0.0000028900000000, 0.0006918000000000 ] - [ -0.0000496800000000, 0.0000001300000000, 0.0006910600000000 ] - [ 0.0000005300000000, -0.0000000300000000, 0.0001264700000000 ] - [ 0.0000003500000000, -0.0000000300000000, 0.0001264600000000 ] - [ 0.0000001200000000, 0.0000002300000000, 0.0001263000000000 ] - [ 0.0000001300000000, -0.0000002400000000, 0.0001266500000000 ] - [ -0.0000014200000000, 0.0000000700000000, -0.0002639400000000 ] - [ 0.0000011000000000, 0.0000000200000000, -0.0002639700000000 ] - [ 0.0000004700000000, -0.0000003500000000, -0.0002641600000000 ] - [ 0.0000004100000000, 0.0000004100000000, -0.0002637300000000 ] - [ 0.0018028800000000, 0.0022308700000000, -0.0041870600000000 ] - [ 0.0018058600000000, -0.0022088800000000, 0.0027660200000000 ] - [ -0.0007387900000000, 0.0000045500000000, -0.0006951600000000 ] - [ -0.0020404900000000, 0.0000065100000000, -0.0006901600000000 ] - [ 0.0000000300000000, 0.0000001000000000, 0.0002323400000000 ] - [ -0.0000002300000000, 0.0000001000000000, 0.0002323400000000 ] - [ -0.0000003100000000, 0.0000000600000000, 0.0002324700000000 ] - [ -0.0000003100000000, 0.0000001500000000, 0.0002322000000000 ] - [ -0.0000152300000000, -0.0000034900000000, -0.0006239300000000 ] - [ -0.0000221500000000, 0.0000002100000000, -0.0006203500000000 ] - [ 0.0004782000000000, -0.0002859000000000, -0.0001223300000000 ] - [ 0.0004720000000000, 0.0002803100000000, -0.0011055600000000 ] - [ 0.0000008600000000, 0.0000008200000000, 0.0002745600000000 ] - [ 0.0000008700000000, -0.0000001700000000, 0.0002741900000000 ] - [ -0.0000017400000000, 0.0000003400000000, 0.0002743600000000 ] - [ 0.0000000100000000, 0.0000003300000000, 0.0002743100000000 ] - [ 0.0000001200000000, -0.0000000500000000, -0.0000496700000000 ] - [ 0.0000001200000000, -0.0000000200000000, -0.0000500900000000 ] - [ 0.0000003800000000, -0.0000000300000000, -0.0000498700000000 ] - [ 0.0000001500000000, -0.0000000300000000, -0.0000498800000000 ] - [ -0.0269590700000000, 0.0002009500000000, 0.0005611400000000 ] - [ 0.0107524200000000, 0.0000052100000000, 0.0002938200000000 ] - [ 0.0019961500000000, -0.0050636300000000, 0.0004489400000000 ] - [ 0.0019864000000000, 0.0050520900000000, 0.0001298500000000 ] - [ 0.0000007600000000, -0.0000002600000000, 0.0001829600000000 ] - [ -0.0000007400000000, -0.0000002600000000, 0.0001829500000000 ] - [ -0.0000003800000000, 0.0000004000000000, 0.0001784200000000 ] - [ -0.0000003800000000, -0.0000009200000000, 0.0001874800000000 ] - [ 0.0000283600000000, -0.0000000100000000, -0.0002998900000000 ] - [ -0.0000067600000000, 0.0000003800000000, -0.0002991000000000 ] - [ -0.0000475400000000, -0.0000246700000000, -0.0002686700000000 ] - [ -0.0000486100000000, 0.0000230300000000, -0.0003306700000000 ] - [ -0.0000004300000000, -0.0000002400000000, 0.0003925300000000 ] - [ 0.0000000000000000, -0.0000002400000000, 0.0003925300000000 ] - [ 0.0000000800000000, -0.0000005300000000, 0.0003926000000000 ] - [ 0.0000000800000000, 0.0000000600000000, 0.0003924700000000 ] - [ 0.0000005200000000, -0.0000002700000000, -0.0002513200000000 ] - [ 0.0000005200000000, 0.0000000800000000, -0.0002516000000000 ] - [ -0.0000001400000000, -0.0000000900000000, -0.0002514600000000 ] - [ 0.0000008300000000, -0.0000001000000000, -0.0002514700000000 ] - [ 0.0000000500000000, 0.0000000700000000, 0.0004359600000000 ] - [ -0.0000002900000000, 0.0000000700000000, 0.0004359600000000 ] - [ -0.0000002800000000, 0.0000000700000000, 0.0004359700000000 ] - [ -0.0000002800000000, 0.0000000500000000, 0.0004359600000000 ] - [ 0.0000307800000000, 0.0000003200000000, 0.0004341800000000 ] - [ 0.0000263300000000, 0.0000004800000000, 0.0004345400000000 ] - [ -0.0000494600000000, -0.0000432400000000, 0.0005990300000000 ] - [ -0.0000492400000000, 0.0000441600000000, 0.0002695300000000 ] - [ 0.0000064100000000, -0.0000364900000000, -0.0006637000000000 ] - [ 0.0000064600000000, 0.0000363100000000, -0.0006370700000000 ] - [ -0.0000884900000000, -0.0000001900000000, -0.0006504400000000 ] - [ 0.0000694900000000, -0.0000001600000000, -0.0006505200000000 ] - [ 0.0000003000000000, -0.0000002700000000, 0.0003365200000000 ] - [ -0.0000004100000000, -0.0000002700000000, 0.0003365000000000 ] - [ -0.0000001600000000, -0.0000000200000000, 0.0003360200000000 ] - [ -0.0000001300000000, -0.0000005400000000, 0.0003370000000000 ] - [ 0.0000001200000000, 0.0000000200000000, -0.0000152400000000 ] - [ 0.0000001300000000, 0.0000003600000000, -0.0000150700000000 ] - [ -0.0000004000000000, 0.0000002000000000, -0.0000151400000000 ] - [ 0.0000004200000000, 0.0000002000000000, -0.0000151500000000 ] - [ -0.0000002600000000, 0.0000009200000000, -0.0003657900000000 ] - [ -0.0000002600000000, -0.0000006000000000, -0.0003630200000000 ] - [ 0.0000011300000000, 0.0000001500000000, -0.0003644000000000 ] - [ -0.0000015800000000, 0.0000001500000000, -0.0003644100000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000469700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000476900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000476900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000476900000000 ] - [ 0.0000000000000000, -0.0000700400000000, -0.0004497800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004257200000000 ] - [ -0.0000606500000000, 0.0000350200000000, -0.0004497800000000 ] - [ 0.0000606500000000, 0.0000350200000000, -0.0004497800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001999100000000 ] - [ 0.0000000000000000, 0.0000004200000000, -0.0001978400000000 ] - [ -0.0000003600000000, -0.0000002100000000, -0.0001978400000000 ] - [ 0.0000003600000000, -0.0000002100000000, -0.0001978400000000 ] - [ 0.0000000000000000, -0.0090137300000000, 0.0086344500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026046900000000 ] - [ -0.0078061200000000, 0.0045068600000000, 0.0086344500000000 ] - [ 0.0078061200000000, 0.0045068600000000, 0.0086344500000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0000828100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000838600000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0000828100000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0000828100000000 ] - [ -0.0000360300000000, -0.0000208000000000, 0.0006857300000000 ] - [ 0.0000360300000000, -0.0000208000000000, 0.0006857300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003356100000000 ] - [ 0.0000000000000000, 0.0000416000000000, 0.0006857300000000 ] - [ 0.0000000000000000, -0.0000000700000000, -0.0000308500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000303500000000 ] - [ -0.0000000600000000, 0.0000000300000000, -0.0000308500000000 ] - [ 0.0000000600000000, 0.0000000300000000, -0.0000308500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004259500000000 ] - [ 0.0000000000000000, 0.0000012100000000, -0.0004201600000000 ] - [ -0.0000010500000000, -0.0000006000000000, -0.0004201600000000 ] - [ 0.0000010500000000, -0.0000006000000000, -0.0004201600000000 ] - [ -0.0034752900000000, -0.0020064600000000, 0.0030316800000000 ] - [ 0.0034752900000000, -0.0020064600000000, 0.0030316800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016722700000000 ] - [ 0.0000000000000000, 0.0040129200000000, 0.0030316800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003114300000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0003117400000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0003117400000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0003117400000000 ] - [ 0.0000000000000000, 0.0007462400000000, 0.0000516500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007048600000000 ] - [ 0.0006462600000000, -0.0003731200000000, 0.0000516500000000 ] - [ -0.0006462600000000, -0.0003731200000000, 0.0000516500000000 ] - [ -0.0000021200000000, -0.0000012300000000, 0.0003546900000000 ] - [ 0.0000021200000000, -0.0000012300000000, 0.0003546900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003444400000000 ] - [ 0.0000000000000000, 0.0000024500000000, 0.0003546900000000 ] - [ 0.0000002500000000, 0.0000001500000000, 0.0000275300000000 ] - [ -0.0000002500000000, 0.0000001500000000, 0.0000275300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000278200000000 ] - [ 0.0000000000000000, -0.0000002900000000, 0.0000275300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0365042800000000 ] - [ 0.0000000000000000, -0.0001882500000000, -0.0014143500000000 ] - [ 0.0001630300000000, 0.0000941300000000, -0.0014143500000000 ] - [ -0.0001630300000000, 0.0000941300000000, -0.0014143500000000 ] - [ 0.0000000000000000, 0.0000004600000000, 0.0002621300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002610500000000 ] - [ 0.0000004000000000, -0.0000002300000000, 0.0002621300000000 ] - [ -0.0000004000000000, -0.0000002300000000, 0.0002621300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003137000000000 ] - [ 0.0000000000000000, 0.0001989700000000, -0.0001683400000000 ] - [ -0.0001723100000000, -0.0000994900000000, -0.0001683400000000 ] - [ 0.0001723100000000, -0.0000994900000000, -0.0001683400000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0004720800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004714700000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0004720800000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0004720800000000 ] - [ 0.0000000800000000, 0.0000000500000000, -0.0001733300000000 ] - [ -0.0000000800000000, 0.0000000500000000, -0.0001733300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001738600000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0001733300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005154100000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0005156200000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0005156200000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0005156200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004259900000000 ] - [ 0.0000000000000000, 0.0000489400000000, 0.0005581900000000 ] - [ -0.0000423800000000, -0.0000244700000000, 0.0005581900000000 ] - [ 0.0000423800000000, -0.0000244700000000, 0.0005581900000000 ] - [ -0.0000134400000000, -0.0000077600000000, -0.0005909300000000 ] - [ 0.0000134400000000, -0.0000077600000000, -0.0005909300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005178900000000 ] - [ 0.0000000000000000, 0.0000155200000000, -0.0005909300000000 ] - [ 0.0000000000000000, 0.0000031700000000, 0.0004163300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004135100000000 ] - [ 0.0000027400000000, -0.0000015800000000, 0.0004163300000000 ] - [ -0.0000027400000000, -0.0000015800000000, 0.0004163300000000 ] - [ -0.0000002000000000, -0.0000001200000000, 0.0000630700000000 ] - [ 0.0000002000000000, -0.0000001200000000, 0.0000630700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000622500000000 ] - [ 0.0000000000000000, 0.0000002400000000, 0.0000630700000000 ] - [ -0.0000010000000000, -0.0000005800000000, -0.0002859600000000 ] - [ 0.0000010000000000, -0.0000005800000000, -0.0002859600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002872600000000 ] - [ 0.0000000000000000, 0.0000011600000000, -0.0002859600000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003606200000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0003600500000000 ] - [ -0.0000000300000000, -0.0000000100000000, 0.0003600500000000 ] - [ 0.0000000300000000, -0.0000000100000000, 0.0003600500000000 ] - [ 0.0000000000000000, 0.0000705500000000, -0.0001206600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001447400000000 ] - [ 0.0000611000000000, -0.0000352800000000, -0.0001206600000000 ] - [ -0.0000611000000000, -0.0000352800000000, -0.0001206600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001163500000000 ] - [ 0.0000000000000000, -0.0000004600000000, 0.0001141400000000 ] - [ 0.0000004000000000, 0.0000002300000000, 0.0001141400000000 ] - [ -0.0000004000000000, 0.0000002300000000, 0.0001141400000000 ] - [ 0.0000000000000000, 0.0092918200000000, -0.0093371400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032219700000000 ] - [ 0.0080469500000000, -0.0046459100000000, -0.0093371400000000 ] - [ -0.0080469500000000, -0.0046459100000000, -0.0093371400000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0003957600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003948000000000 ] - [ -0.0000000100000000, 0.0000000100000000, 0.0003957600000000 ] - [ 0.0000000100000000, 0.0000000100000000, 0.0003957600000000 ] - [ 0.0000344000000000, 0.0000198600000000, 0.0007020500000000 ] - [ -0.0000344000000000, 0.0000198600000000, 0.0007020500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010431700000000 ] - [ 0.0000000000000000, -0.0000397200000000, 0.0007020500000000 ] - [ 0.0000000000000000, 0.0000001400000000, 0.0002821000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002815600000000 ] - [ 0.0000001200000000, -0.0000000700000000, 0.0002821000000000 ] - [ -0.0000001200000000, -0.0000000700000000, 0.0002821000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001027100000000 ] - [ 0.0000000000000000, -0.0000011600000000, -0.0001087700000000 ] - [ 0.0000010100000000, 0.0000005800000000, -0.0001087700000000 ] - [ -0.0000010100000000, 0.0000005800000000, -0.0001087700000000 ] - [ 0.0035268100000000, 0.0020362000000000, -0.0044890900000000 ] - [ -0.0035268100000000, 0.0020362000000000, -0.0044890900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002775800000000 ] - [ 0.0000000000000000, -0.0040724100000000, -0.0044890900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001560500000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0001556800000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0001556800000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0001556800000000 ] - [ 0.0000000000000000, -0.0007228100000000, -0.0012711100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005408500000000 ] - [ -0.0006259700000000, 0.0003614100000000, -0.0012711100000000 ] - [ 0.0006259700000000, 0.0003614100000000, -0.0012711100000000 ] - [ 0.0000020900000000, 0.0000012100000000, 0.0001929200000000 ] - [ -0.0000020900000000, 0.0000012100000000, 0.0001929200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002028800000000 ] - [ 0.0000000000000000, -0.0000024100000000, 0.0001929200000000 ] - [ -0.0000002400000000, -0.0000001400000000, -0.0001286800000000 ] - [ 0.0000002400000000, -0.0000001400000000, -0.0001286800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001288300000000 ] - [ 0.0000000000000000, 0.0000002800000000, -0.0001286800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0375049900000000 ] - [ 0.0000000000000000, 0.0001803700000000, 0.0019887600000000 ] - [ -0.0001562000000000, -0.0000901800000000, 0.0019887600000000 ] - [ 0.0001562000000000, -0.0000901800000000, 0.0019887600000000 ] - [ 0.0000000000000000, -0.0000004800000000, 0.0001061800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001072400000000 ] - [ -0.0000004200000000, 0.0000002400000000, 0.0001061800000000 ] - [ 0.0000004200000000, 0.0000002400000000, 0.0001061800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002856400000000 ] - [ 0.0000000000000000, -0.0001937900000000, -0.0004270800000000 ] - [ 0.0001678200000000, 0.0000968900000000, -0.0004270800000000 ] - [ -0.0001678200000000, 0.0000968900000000, -0.0004270800000000 ] - [ 0.0000000000000000, -0.0000003400000000, 0.0003153100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003164300000000 ] - [ -0.0000002900000000, 0.0000001700000000, 0.0003153100000000 ] - [ 0.0000002900000000, 0.0000001700000000, 0.0003153100000000 ] - [ -0.0000000700000000, -0.0000000400000000, -0.0003307000000000 ] - [ 0.0000000700000000, -0.0000000400000000, -0.0003307000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003300100000000 ] - [ 0.0000000000000000, 0.0000000800000000, -0.0003307000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003592300000000 ] - [ 0.0000000000000000, -0.0000000900000000, 0.0003591700000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0003591700000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0003591700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004454700000000 ] - [ 0.0000000000000000, -0.0000489500000000, 0.0003126900000000 ] - [ 0.0000423900000000, 0.0000244800000000, 0.0003126900000000 ] - [ -0.0000423900000000, 0.0000244800000000, 0.0003126900000000 ] - [ 0.0000135000000000, 0.0000077900000000, -0.0007107000000000 ] - [ -0.0000135000000000, 0.0000077900000000, -0.0007107000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007842100000000 ] - [ 0.0000000000000000, -0.0000155900000000, -0.0007107000000000 ] - [ 0.0000000000000000, -0.0000030700000000, 0.0002593800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002622300000000 ] - [ -0.0000026600000000, 0.0000015400000000, 0.0002593800000000 ] - [ 0.0000026600000000, 0.0000015400000000, 0.0002593800000000 ] - [ 0.0000002100000000, 0.0000001200000000, -0.0000943900000000 ] - [ -0.0000002100000000, 0.0000001200000000, -0.0000943900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000936500000000 ] - [ 0.0000000000000000, -0.0000002400000000, -0.0000943900000000 ] - [ 0.0000010300000000, 0.0000005900000000, -0.0004437100000000 ] - [ -0.0000010300000000, 0.0000005900000000, -0.0004437100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004424800000000 ] - [ 0.0000000000000000, -0.0000011900000000, -0.0004437100000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000010600000000, 0.0000000100000000, 0.0002047000000000 ] - [ -0.0000011200000000, 0.0000000100000000, 0.0002047000000000 ] - [ -0.0000001800000000, 0.0000007300000000, 0.0002041000000000 ] - [ -0.0000001900000000, -0.0000007100000000, 0.0002053100000000 ] - [ -0.0000287700000000, 0.0000000200000000, -0.0002838700000000 ] - [ -0.0000830100000000, -0.0000007100000000, -0.0002837100000000 ] - [ 0.0000191800000000, 0.0000595300000000, -0.0002952400000000 ] - [ 0.0000177600000000, -0.0000576200000000, -0.0002735600000000 ] - [ 0.0002304700000000, 0.0000132500000000, -0.0000325800000000 ] - [ -0.0009379000000000, 0.0000061400000000, -0.0000357400000000 ] - [ 0.0057168800000000, -0.0031440800000000, 0.0059848400000000 ] - [ 0.0059769400000000, 0.0033424600000000, -0.0063419500000000 ] - [ -0.0000027600000000, -0.0000000800000000, -0.0003054800000000 ] - [ 0.0000017400000000, -0.0000000700000000, -0.0003054900000000 ] - [ 0.0000004800000000, -0.0000007800000000, -0.0003047300000000 ] - [ 0.0000005000000000, 0.0000006500000000, -0.0003062100000000 ] - [ 0.0000002400000000, 0.0000000200000000, 0.0002399500000000 ] - [ -0.0000004300000000, -0.0000000100000000, 0.0002399600000000 ] - [ -0.0000007000000000, -0.0000001900000000, 0.0002399300000000 ] - [ -0.0000007300000000, 0.0000001400000000, 0.0002399600000000 ] - [ -0.0000002000000000, 0.0000001000000000, 0.0006911200000000 ] - [ -0.0000001900000000, 0.0000000000000000, 0.0006915700000000 ] - [ -0.0000001100000000, 0.0000000600000000, 0.0006913400000000 ] - [ 0.0000001300000000, 0.0000000600000000, 0.0006913400000000 ] - [ 0.0000069900000000, -0.0000002000000000, 0.0001263900000000 ] - [ 0.0000060600000000, 0.0000000600000000, 0.0001261400000000 ] - [ -0.0000214300000000, -0.0000156400000000, 0.0000769600000000 ] - [ -0.0000210300000000, 0.0000158600000000, 0.0001758800000000 ] - [ -0.0000002500000000, 0.0000000200000000, -0.0002640100000000 ] - [ -0.0000006000000000, 0.0000000200000000, -0.0002640200000000 ] - [ -0.0000000500000000, -0.0000000700000000, -0.0002643400000000 ] - [ -0.0000000700000000, 0.0000001600000000, -0.0002637100000000 ] - [ 0.0000022900000000, -0.0000014300000000, -0.0006991400000000 ] - [ 0.0000023100000000, 0.0000011100000000, -0.0006939700000000 ] - [ 0.0000001000000000, -0.0000001900000000, -0.0006965900000000 ] - [ -0.0000019700000000, -0.0000001800000000, -0.0006965800000000 ] - [ -0.0000067600000000, 0.0000000200000000, 0.0002321500000000 ] - [ 0.0001271700000000, -0.0000001100000000, 0.0002328700000000 ] - [ -0.0000161300000000, 0.0000054000000000, 0.0002203400000000 ] - [ -0.0000160800000000, -0.0000053900000000, 0.0002446400000000 ] - [ -0.0000002000000000, 0.0000003100000000, -0.0006199500000000 ] - [ 0.0000001200000000, 0.0000003100000000, -0.0006199400000000 ] - [ -0.0000000900000000, 0.0000001900000000, -0.0006198700000000 ] - [ -0.0000000900000000, 0.0000004300000000, -0.0006200200000000 ] - [ 0.0000001600000000, 0.0000004800000000, 0.0002743300000000 ] - [ 0.0000001700000000, 0.0000001800000000, 0.0002745200000000 ] - [ 0.0000004300000000, 0.0000003200000000, 0.0002744300000000 ] - [ -0.0000004000000000, 0.0000003300000000, 0.0002744300000000 ] - [ 0.0000005300000000, 0.0000000800000000, -0.0000496600000000 ] - [ 0.0000005500000000, -0.0000001500000000, -0.0000499400000000 ] - [ 0.0000007400000000, -0.0000000400000000, -0.0000498000000000 ] - [ -0.0000000400000000, -0.0000000400000000, -0.0000498000000000 ] - [ 0.0000002100000000, 0.0000001300000000, 0.0002904700000000 ] - [ -0.0000013100000000, 0.0000001300000000, 0.0002904700000000 ] - [ -0.0000009000000000, 0.0000007900000000, 0.0002908400000000 ] - [ -0.0000009000000000, -0.0000005000000000, 0.0002901200000000 ] - [ -0.0273896600000000, -0.0001850400000000, 0.0004459700000000 ] - [ 0.0106523400000000, -0.0000059500000000, 0.0001865900000000 ] - [ 0.0019642500000000, -0.0050066100000000, 0.0000610200000000 ] - [ 0.0019741800000000, 0.0050190300000000, 0.0003036900000000 ] - [ 0.0000000700000000, -0.0000003100000000, -0.0002995300000000 ] - [ -0.0000001600000000, -0.0000003100000000, -0.0002995300000000 ] - [ 0.0000002300000000, -0.0000004100000000, -0.0002995600000000 ] - [ 0.0000002200000000, -0.0000002200000000, -0.0002994900000000 ] - [ 0.0000029500000000, -0.0000002500000000, 0.0003926300000000 ] - [ -0.0000004700000000, -0.0000002500000000, 0.0003926100000000 ] - [ 0.0000000800000000, 0.0000000800000000, 0.0003915900000000 ] - [ 0.0000000800000000, -0.0000005600000000, 0.0003936700000000 ] - [ 0.0000088400000000, -0.0000305400000000, -0.0002195000000000 ] - [ 0.0000086500000000, 0.0000305000000000, -0.0002832800000000 ] - [ -0.0000441100000000, -0.0000001200000000, -0.0002513500000000 ] - [ 0.0000286200000000, -0.0000001900000000, -0.0002514300000000 ] - [ -0.0000003900000000, 0.0000000600000000, 0.0004360700000000 ] - [ -0.0000005000000000, 0.0000000600000000, 0.0004360700000000 ] - [ -0.0000002800000000, -0.0000000100000000, 0.0004360700000000 ] - [ -0.0000002900000000, 0.0000001200000000, 0.0004360600000000 ] - [ -0.0000073100000000, 0.0000002100000000, 0.0004345600000000 ] - [ 0.0001260000000000, 0.0000002900000000, 0.0004350500000000 ] - [ -0.0000163300000000, 0.0000054000000000, 0.0004348800000000 ] - [ -0.0000160200000000, -0.0000048400000000, 0.0004333500000000 ] - [ 0.0004715900000000, -0.0002829200000000, -0.0000156000000000 ] - [ 0.0004664600000000, 0.0002759300000000, -0.0012714500000000 ] - [ -0.0000149200000000, -0.0000004500000000, -0.0006509000000000 ] - [ -0.0000216600000000, -0.0000006400000000, -0.0006511600000000 ] - [ 0.0000004100000000, -0.0000002800000000, 0.0003366100000000 ] - [ -0.0000001500000000, -0.0000002800000000, 0.0003366000000000 ] - [ 0.0000010200000000, 0.0000004000000000, 0.0003366300000000 ] - [ 0.0000010300000000, -0.0000009700000000, 0.0003365900000000 ] - [ -0.0000003200000000, -0.0000001700000000, -0.0000161400000000 ] - [ -0.0000003100000000, 0.0000005400000000, -0.0000140200000000 ] - [ -0.0000009400000000, 0.0000001900000000, -0.0000150700000000 ] - [ 0.0000003800000000, 0.0000002000000000, -0.0000150800000000 ] - [ 0.0018049900000000, -0.0022295600000000, -0.0038816100000000 ] - [ 0.0018096900000000, 0.0022070400000000, 0.0031258400000000 ] - [ -0.0020348000000000, -0.0000056500000000, -0.0003585400000000 ] - [ -0.0007420400000000, -0.0000048500000000, -0.0003628400000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000045900000000, 0.0000476800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000518100000000 ] - [ -0.0000039800000000, 0.0000023000000000, 0.0000476800000000 ] - [ 0.0000039800000000, 0.0000023000000000, 0.0000476800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004467500000000 ] - [ 0.0000000000000000, -0.0002969200000000, -0.0003283600000000 ] - [ 0.0002571400000000, 0.0001484600000000, -0.0003283600000000 ] - [ -0.0002571400000000, 0.0001484600000000, -0.0003283600000000 ] - [ 0.0000000000000000, 0.0090195100000000, 0.0089100200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028778200000000 ] - [ 0.0078111300000000, -0.0045097600000000, 0.0089100200000000 ] - [ -0.0078111300000000, -0.0045097600000000, 0.0089100200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004668100000000 ] - [ 0.0000000000000000, -0.0000054100000000, -0.0004548500000000 ] - [ 0.0000046900000000, 0.0000027100000000, -0.0004548500000000 ] - [ -0.0000046900000000, 0.0000027100000000, -0.0004548500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000847500000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0000844700000000 ] - [ -0.0000000600000000, -0.0000000400000000, 0.0000844700000000 ] - [ 0.0000000600000000, -0.0000000400000000, 0.0000844700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005370200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005370200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005370200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005377600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000923700000000 ] - [ 0.0000000000000000, 0.0001832200000000, -0.0000751300000000 ] - [ -0.0001586700000000, -0.0000916100000000, -0.0000751300000000 ] - [ 0.0001586700000000, -0.0000916100000000, -0.0000751300000000 ] - [ 0.0000000000000000, -0.0000003500000000, -0.0004207200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004205800000000 ] - [ -0.0000003000000000, 0.0000001800000000, -0.0004207200000000 ] - [ 0.0000003000000000, 0.0000001800000000, -0.0004207200000000 ] - [ -0.0000009100000000, 0.0000005300000000, -0.0006200400000000 ] - [ 0.0000009100000000, 0.0000005300000000, -0.0006200400000000 ] - [ 0.0000000000000000, -0.0000010500000000, -0.0006200400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006305500000000 ] - [ 0.0000000000000000, -0.0000007600000000, 0.0002259400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006126700000000 ] - [ -0.0000006600000000, 0.0000003800000000, 0.0002259400000000 ] - [ 0.0000006600000000, 0.0000003800000000, 0.0002259400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005463900000000 ] - [ 0.0000000000000000, -0.0000001200000000, -0.0005463700000000 ] - [ 0.0000001000000000, 0.0000000600000000, -0.0005463700000000 ] - [ -0.0000001000000000, 0.0000000600000000, -0.0005463700000000 ] - [ -0.0000002000000000, 0.0000001100000000, 0.0003506200000000 ] - [ 0.0000002000000000, 0.0000001100000000, 0.0003506200000000 ] - [ 0.0000000000000000, -0.0000002300000000, 0.0003506200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003498800000000 ] - [ 0.0000001400000000, -0.0000000800000000, 0.0000250000000000 ] - [ -0.0000001400000000, -0.0000000800000000, 0.0000250000000000 ] - [ 0.0000000000000000, 0.0000001600000000, 0.0000250000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000242500000000 ] - [ 0.0000000000000000, -0.0000053500000000, 0.0003717800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003709500000000 ] - [ -0.0000046300000000, 0.0000026700000000, 0.0003717800000000 ] - [ 0.0000046300000000, 0.0000026700000000, 0.0003717800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0364613000000000 ] - [ 0.0000000000000000, 0.0001436500000000, -0.0015905500000000 ] - [ -0.0001244100000000, -0.0000718300000000, -0.0015905500000000 ] - [ 0.0001244100000000, -0.0000718300000000, -0.0015905500000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0002179600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002186900000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0002179600000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0002179600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004815900000000 ] - [ 0.0000000000000000, 0.0000002500000000, 0.0004710200000000 ] - [ -0.0000002200000000, -0.0000001300000000, 0.0004710200000000 ] - [ 0.0000002200000000, -0.0000001300000000, 0.0004710200000000 ] - [ 0.0000643900000000, -0.0000371700000000, -0.0001632900000000 ] - [ -0.0000643900000000, -0.0000371700000000, -0.0001632900000000 ] - [ 0.0000000000000000, 0.0000743500000000, -0.0001632900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002222500000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0005162700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005158700000000 ] - [ 0.0000000600000000, -0.0000000300000000, 0.0005162700000000 ] - [ -0.0000000600000000, -0.0000000300000000, 0.0005162700000000 ] - [ 0.0000000000000000, 0.0000148500000000, 0.0004272300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008201800000000 ] - [ 0.0000128600000000, -0.0000074300000000, 0.0004272300000000 ] - [ -0.0000128600000000, -0.0000074300000000, 0.0004272300000000 ] - [ 0.0004934300000000, -0.0002848800000000, 0.0000113700000000 ] - [ -0.0004934300000000, -0.0002848800000000, 0.0000113700000000 ] - [ 0.0000000000000000, 0.0005697700000000, 0.0000113700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007359600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004166700000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0004162800000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0004162800000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0004162800000000 ] - [ -0.0000016800000000, 0.0000009700000000, 0.0000602800000000 ] - [ 0.0000016800000000, 0.0000009700000000, 0.0000602800000000 ] - [ 0.0000000000000000, -0.0000019400000000, 0.0000602800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000582000000000 ] - [ -0.0034560100000000, 0.0019953300000000, 0.0033617600000000 ] - [ 0.0034560100000000, 0.0019953300000000, 0.0033617600000000 ] - [ 0.0000000000000000, -0.0039906500000000, 0.0033617600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013439100000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000046400000000, 0.0003585900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003545100000000 ] - [ 0.0000040200000000, -0.0000023200000000, 0.0003585900000000 ] - [ -0.0000040200000000, -0.0000023200000000, 0.0003585900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001220200000000 ] - [ 0.0000000000000000, 0.0002894300000000, -0.0002395700000000 ] - [ -0.0002506600000000, -0.0001447200000000, -0.0002395700000000 ] - [ 0.0002506600000000, -0.0001447200000000, -0.0002395700000000 ] - [ 0.0000000000000000, -0.0092974700000000, -0.0090861400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029687700000000 ] - [ -0.0080518400000000, 0.0046487300000000, -0.0090861400000000 ] - [ 0.0080518400000000, 0.0046487300000000, -0.0090861400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001403500000000 ] - [ 0.0000000000000000, 0.0000053400000000, -0.0001524200000000 ] - [ -0.0000046200000000, -0.0000026700000000, -0.0001524200000000 ] - [ 0.0000046200000000, -0.0000026700000000, -0.0001524200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003935500000000 ] - [ 0.0000000000000000, -0.0000001200000000, 0.0003935200000000 ] - [ 0.0000001000000000, 0.0000000600000000, 0.0003935200000000 ] - [ -0.0000001000000000, 0.0000000600000000, 0.0003935200000000 ] - [ -0.0000000900000000, 0.0000000500000000, 0.0008490500000000 ] - [ 0.0000000900000000, 0.0000000500000000, 0.0008490500000000 ] - [ 0.0000000000000000, -0.0000001100000000, 0.0008490500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008484100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001572000000000 ] - [ 0.0000000000000000, -0.0001844100000000, 0.0003258500000000 ] - [ 0.0001597100000000, 0.0000922100000000, 0.0003258500000000 ] - [ -0.0001597100000000, 0.0000922100000000, 0.0003258500000000 ] - [ 0.0000000000000000, 0.0000003100000000, -0.0001090000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001090800000000 ] - [ 0.0000002600000000, -0.0000001500000000, -0.0001090000000000 ] - [ -0.0000002600000000, -0.0000001500000000, -0.0001090000000000 ] - [ 0.0000008800000000, -0.0000005100000000, -0.0007782100000000 ] - [ -0.0000008800000000, -0.0000005100000000, -0.0007782100000000 ] - [ 0.0000000000000000, 0.0000010100000000, -0.0007782100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007680900000000 ] - [ 0.0000000000000000, 0.0000009700000000, 0.0002460800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001420500000000 ] - [ 0.0000008400000000, -0.0000004900000000, 0.0002460800000000 ] - [ -0.0000008400000000, -0.0000004900000000, 0.0002460800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006983200000000 ] - [ 0.0000000000000000, 0.0000000600000000, -0.0006982200000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0006982200000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0006982200000000 ] - [ 0.0000002200000000, -0.0000001300000000, 0.0001945000000000 ] - [ -0.0000002200000000, -0.0000001300000000, 0.0001945000000000 ] - [ 0.0000000000000000, 0.0000002600000000, 0.0001945000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001952200000000 ] - [ -0.0000000800000000, 0.0000000400000000, -0.0001293400000000 ] - [ 0.0000000800000000, 0.0000000400000000, -0.0001293400000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0001293400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001287500000000 ] - [ 0.0000000000000000, 0.0000052400000000, 0.0002146000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002155300000000 ] - [ 0.0000045400000000, -0.0000026200000000, 0.0002146000000000 ] - [ -0.0000045400000000, -0.0000026200000000, 0.0002146000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0372403500000000 ] - [ 0.0000000000000000, -0.0001367200000000, 0.0019520200000000 ] - [ 0.0001184100000000, 0.0000683600000000, 0.0019520200000000 ] - [ -0.0001184100000000, 0.0000683600000000, 0.0019520200000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0003763300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003755200000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0003763300000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0003763300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003103700000000 ] - [ 0.0000000000000000, -0.0000002500000000, 0.0003209600000000 ] - [ 0.0000002100000000, 0.0000001200000000, 0.0003209600000000 ] - [ -0.0000002100000000, 0.0000001200000000, 0.0003209600000000 ] - [ -0.0000648100000000, 0.0000374200000000, -0.0003440200000000 ] - [ 0.0000648100000000, 0.0000374200000000, -0.0003440200000000 ] - [ 0.0000000000000000, -0.0000748400000000, -0.0003440200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002844400000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0003618400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003624500000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0003618400000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0003618400000000 ] - [ 0.0000000000000000, -0.0000143900000000, 0.0004450200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000620000000000 ] - [ -0.0000124600000000, 0.0000071900000000, 0.0004450200000000 ] - [ 0.0000124600000000, 0.0000071900000000, 0.0004450200000000 ] - [ -0.0004780400000000, 0.0002760000000000, -0.0012959400000000 ] - [ 0.0004780400000000, 0.0002760000000000, -0.0012959400000000 ] - [ 0.0000000000000000, -0.0005519900000000, -0.0012959400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005727100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002622300000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0002627600000000 ] - [ -0.0000000100000000, -0.0000000100000000, 0.0002627600000000 ] - [ 0.0000000100000000, -0.0000000100000000, 0.0002627600000000 ] - [ 0.0000017000000000, -0.0000009800000000, -0.0000944400000000 ] - [ -0.0000017000000000, -0.0000009800000000, -0.0000944400000000 ] - [ 0.0000000000000000, 0.0000019700000000, -0.0000944400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000922400000000 ] - [ 0.0035073100000000, -0.0020249500000000, -0.0041583700000000 ] - [ -0.0035073100000000, -0.0020249500000000, -0.0041583700000000 ] - [ 0.0000000000000000, 0.0040499000000000, -0.0041583700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006121000000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000000200000000, 0.0000000100000000, 0.0002048600000000 ] - [ -0.0000000600000000, 0.0000000100000000, 0.0002048600000000 ] - [ -0.0000003200000000, -0.0000001500000000, 0.0002049200000000 ] - [ -0.0000003400000000, 0.0000001800000000, 0.0002047900000000 ] - [ 0.0000004300000000, -0.0000000200000000, -0.0002845300000000 ] - [ -0.0000003600000000, -0.0000000100000000, -0.0002845400000000 ] - [ -0.0000001900000000, 0.0000003600000000, -0.0002830300000000 ] - [ -0.0000001600000000, -0.0000003300000000, -0.0002860100000000 ] - [ 0.0000000700000000, 0.0000000000000000, -0.0000409100000000 ] - [ -0.0000005300000000, -0.0000000100000000, -0.0000409000000000 ] - [ -0.0000008500000000, -0.0000001900000000, -0.0000409000000000 ] - [ -0.0000008500000000, 0.0000001800000000, -0.0000409000000000 ] - [ -0.0001761200000000, -0.0000001000000000, -0.0003053100000000 ] - [ 0.0002069500000000, -0.0000000900000000, -0.0003053800000000 ] - [ -0.0000034400000000, -0.0000995700000000, -0.0002343200000000 ] - [ -0.0000039000000000, 0.0000994000000000, -0.0003764400000000 ] - [ -0.0000019500000000, 0.0000000000000000, 0.0002401200000000 ] - [ 0.0000010600000000, -0.0000000200000000, 0.0002401200000000 ] - [ 0.0000001400000000, -0.0000012200000000, 0.0002407900000000 ] - [ 0.0000001200000000, 0.0000011900000000, 0.0002394400000000 ] - [ 0.0058795800000000, 0.0032920300000000, -0.0055084200000000 ] - [ 0.0056164800000000, -0.0030932200000000, 0.0066166300000000 ] - [ -0.0009452900000000, 0.0000065600000000, 0.0006968800000000 ] - [ 0.0002193100000000, 0.0000150800000000, 0.0007006800000000 ] - [ -0.0000002900000000, -0.0000000300000000, 0.0001265100000000 ] - [ -0.0000006200000000, -0.0000000300000000, 0.0001265100000000 ] - [ -0.0000001100000000, -0.0000001100000000, 0.0001267800000000 ] - [ -0.0000001000000000, 0.0000001100000000, 0.0001262500000000 ] - [ -0.0000487100000000, 0.0000011300000000, -0.0002630800000000 ] - [ -0.0000018400000000, 0.0000006400000000, -0.0002643400000000 ] - [ 0.0000422300000000, 0.0000233900000000, -0.0002596500000000 ] - [ 0.0000398500000000, -0.0000260800000000, -0.0002674500000000 ] - [ 0.0000089200000000, 0.0000307100000000, -0.0006312300000000 ] - [ 0.0000088500000000, -0.0000311600000000, -0.0007620900000000 ] - [ 0.0000285500000000, -0.0000001200000000, -0.0006966100000000 ] - [ -0.0000447000000000, -0.0000001900000000, -0.0006965100000000 ] - [ -0.0000001200000000, 0.0000001000000000, 0.0002324000000000 ] - [ -0.0000006800000000, 0.0000001000000000, 0.0002324000000000 ] - [ 0.0000005000000000, 0.0000007900000000, 0.0002323700000000 ] - [ 0.0000005100000000, -0.0000005900000000, 0.0002324300000000 ] - [ -0.0020544700000000, -0.0000064100000000, -0.0006134600000000 ] - [ -0.0007497800000000, -0.0000044000000000, -0.0006184200000000 ] - [ 0.0018084300000000, -0.0022422000000000, -0.0041218900000000 ] - [ 0.0018117100000000, 0.0022202700000000, 0.0028541600000000 ] - [ 0.0002902000000000, 0.0002354200000000, 0.0007318600000000 ] - [ 0.0002857600000000, -0.0002289500000000, -0.0001723100000000 ] - [ -0.0000421400000000, 0.0000003900000000, 0.0002738200000000 ] - [ -0.0001141500000000, 0.0000027500000000, 0.0002704000000000 ] - [ 0.0000012200000000, 0.0000005800000000, -0.0000517600000000 ] - [ 0.0000012100000000, -0.0000006600000000, -0.0000478900000000 ] - [ -0.0000015300000000, -0.0000000400000000, -0.0000498400000000 ] - [ 0.0000001400000000, -0.0000000300000000, -0.0000498100000000 ] - [ 0.0000281100000000, 0.0000000600000000, 0.0002904200000000 ] - [ -0.0000070100000000, -0.0000000500000000, 0.0002908000000000 ] - [ -0.0000484200000000, -0.0000239300000000, 0.0001204500000000 ] - [ -0.0000486900000000, 0.0000240300000000, 0.0004605800000000 ] - [ 0.0000001200000000, -0.0000002600000000, 0.0001830200000000 ] - [ -0.0000000700000000, -0.0000002700000000, 0.0001830100000000 ] - [ 0.0000001400000000, -0.0000002800000000, 0.0001830400000000 ] - [ 0.0000001500000000, -0.0000002400000000, 0.0001829800000000 ] - [ -0.0268088500000000, -0.0002001400000000, -0.0000328500000000 ] - [ 0.0107616300000000, -0.0000058500000000, -0.0002961100000000 ] - [ 0.0019862300000000, -0.0050575100000000, -0.0004904900000000 ] - [ 0.0019959200000000, 0.0050690800000000, -0.0001100400000000 ] - [ 0.0000000800000000, -0.0000002500000000, 0.0003925900000000 ] - [ -0.0000002000000000, -0.0000002400000000, 0.0003925900000000 ] - [ 0.0000001600000000, -0.0000002900000000, 0.0003926300000000 ] - [ 0.0000001800000000, -0.0000001800000000, 0.0003925500000000 ] - [ 0.0000004500000000, -0.0000002100000000, -0.0002514700000000 ] - [ 0.0000004500000000, 0.0000000200000000, -0.0002513500000000 ] - [ -0.0000001300000000, -0.0000000900000000, -0.0002514100000000 ] - [ 0.0000006400000000, -0.0000001000000000, -0.0002514100000000 ] - [ 0.0000019600000000, 0.0000000700000000, 0.0004360400000000 ] - [ -0.0000007000000000, 0.0000000600000000, 0.0004360400000000 ] - [ -0.0000002200000000, 0.0000003400000000, 0.0004365000000000 ] - [ -0.0000002200000000, -0.0000002200000000, 0.0004355400000000 ] - [ 0.0000025400000000, 0.0000002400000000, 0.0004342700000000 ] - [ -0.0000013200000000, 0.0000002300000000, 0.0004342600000000 ] - [ -0.0000005400000000, 0.0000006900000000, 0.0004345700000000 ] - [ -0.0000005500000000, -0.0000002100000000, 0.0004339900000000 ] - [ 0.0000000600000000, 0.0000006400000000, -0.0006514300000000 ] - [ 0.0000000700000000, -0.0000008900000000, -0.0006493200000000 ] - [ 0.0000015300000000, -0.0000001300000000, -0.0006503800000000 ] - [ -0.0000012700000000, -0.0000001200000000, -0.0006503700000000 ] - [ 0.0000031900000000, -0.0000004700000000, 0.0003370900000000 ] - [ 0.0000871200000000, 0.0000006900000000, 0.0003367800000000 ] - [ -0.0000047300000000, 0.0000039300000000, 0.0003203300000000 ] - [ -0.0000042800000000, -0.0000049500000000, 0.0003523400000000 ] - [ -0.0000004100000000, 0.0000002300000000, -0.0000148700000000 ] - [ -0.0000004000000000, 0.0000001500000000, -0.0000153500000000 ] - [ -0.0000002000000000, 0.0000002000000000, -0.0000151000000000 ] - [ -0.0000004700000000, 0.0000001900000000, -0.0000151100000000 ] - [ 0.0000000000000000, 0.0000001200000000, -0.0003642200000000 ] - [ 0.0000000100000000, 0.0000001900000000, -0.0003644900000000 ] - [ -0.0000006700000000, 0.0000001600000000, -0.0003643600000000 ] - [ 0.0000000700000000, 0.0000001500000000, -0.0003643600000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000447700000000 ] - [ 0.0000000000000000, 0.0000002100000000, 0.0000447600000000 ] - [ -0.0000001800000000, -0.0000001000000000, 0.0000447600000000 ] - [ 0.0000001800000000, -0.0000001000000000, 0.0000447600000000 ] - [ 0.0000000000000000, 0.0000029000000000, -0.0004445300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004413300000000 ] - [ 0.0000025100000000, -0.0000014500000000, -0.0004445300000000 ] - [ -0.0000025100000000, -0.0000014500000000, -0.0004445300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002009400000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0002008900000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0002008900000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0002008900000000 ] - [ 0.0000000000000000, 0.0000028800000000, -0.0004517900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005012200000000 ] - [ 0.0000025000000000, -0.0000014400000000, -0.0004517900000000 ] - [ -0.0000025000000000, -0.0000014400000000, -0.0004517900000000 ] - [ 0.0000000000000000, -0.0000099300000000, 0.0000818300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000768200000000 ] - [ -0.0000086000000000, 0.0000049700000000, 0.0000818300000000 ] - [ 0.0000086000000000, 0.0000049700000000, 0.0000818300000000 ] - [ -0.0077965400000000, -0.0045013300000000, 0.0096631800000000 ] - [ 0.0077965400000000, -0.0045013300000000, 0.0096631800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036247100000000 ] - [ 0.0000000000000000, 0.0090026700000000, 0.0096631800000000 ] - [ 0.0000000000000000, 0.0000004600000000, -0.0000332500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000331200000000 ] - [ 0.0000004000000000, -0.0000002300000000, -0.0000332500000000 ] - [ -0.0000004000000000, -0.0000002300000000, -0.0000332500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004352200000000 ] - [ 0.0000000000000000, 0.0002767500000000, -0.0003349800000000 ] - [ -0.0002396700000000, -0.0001383700000000, -0.0003349800000000 ] - [ 0.0002396700000000, -0.0001383700000000, -0.0003349800000000 ] - [ 0.0000318100000000, 0.0000183700000000, -0.0006055300000000 ] - [ -0.0000318100000000, 0.0000183700000000, -0.0006055300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006652900000000 ] - [ 0.0000000000000000, -0.0000367300000000, -0.0006055300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003134700000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0003129600000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0003129600000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0003129600000000 ] - [ 0.0000000000000000, -0.0040268800000000, 0.0031202900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016186100000000 ] - [ -0.0034873800000000, 0.0020134400000000, 0.0031202900000000 ] - [ 0.0034873800000000, 0.0020134400000000, 0.0031202900000000 ] - [ 0.0004597800000000, 0.0002654600000000, 0.0009101300000000 ] - [ -0.0004597800000000, 0.0002654600000000, 0.0009101300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002994000000000 ] - [ 0.0000000000000000, -0.0005309100000000, 0.0009101300000000 ] - [ 0.0000001100000000, 0.0000000600000000, 0.0000291300000000 ] - [ -0.0000001100000000, 0.0000000600000000, 0.0000291300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000191700000000 ] - [ 0.0000000000000000, -0.0000001200000000, 0.0000291300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002785800000000 ] - [ 0.0000000000000000, -0.0000358600000000, 0.0004214100000000 ] - [ 0.0000310600000000, 0.0000179300000000, 0.0004214100000000 ] - [ -0.0000310600000000, 0.0000179300000000, 0.0004214100000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0002633400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002628200000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0002633400000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0002633400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0368600600000000 ] - [ 0.0000000000000000, 0.0002239700000000, -0.0021158000000000 ] - [ -0.0001939600000000, -0.0001119800000000, -0.0021158000000000 ] - [ 0.0001939600000000, -0.0001119800000000, -0.0021158000000000 ] - [ 0.0000000000000000, 0.0000000800000000, 0.0004737500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004730900000000 ] - [ 0.0000000700000000, -0.0000000400000000, 0.0004737500000000 ] - [ -0.0000000700000000, -0.0000000400000000, 0.0004737500000000 ] - [ -0.0000002200000000, -0.0000001300000000, -0.0001734900000000 ] - [ 0.0000002200000000, -0.0000001300000000, -0.0001734900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001740500000000 ] - [ 0.0000000000000000, 0.0000002500000000, -0.0001734900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005246500000000 ] - [ 0.0000000000000000, -0.0000009500000000, 0.0005148100000000 ] - [ 0.0000008200000000, 0.0000004800000000, 0.0005148100000000 ] - [ -0.0000008200000000, 0.0000004800000000, 0.0005148100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005214900000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0005135600000000 ] - [ -0.0000000600000000, -0.0000000400000000, 0.0005135600000000 ] - [ 0.0000000600000000, -0.0000000400000000, 0.0005135600000000 ] - [ -0.0000014000000000, -0.0000008100000000, -0.0005722800000000 ] - [ 0.0000014000000000, -0.0000008100000000, -0.0005722800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005733300000000 ] - [ 0.0000000000000000, 0.0000016200000000, -0.0005722800000000 ] - [ 0.0000000000000000, -0.0000126400000000, 0.0003310300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007154400000000 ] - [ -0.0000109500000000, 0.0000063200000000, 0.0003310300000000 ] - [ 0.0000109500000000, 0.0000063200000000, 0.0003310300000000 ] - [ 0.0000002300000000, 0.0000001300000000, 0.0000628100000000 ] - [ -0.0000002300000000, 0.0000001300000000, 0.0000628100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000620600000000 ] - [ 0.0000000000000000, -0.0000002700000000, 0.0000628100000000 ] - [ 0.0000001100000000, 0.0000000700000000, -0.0002860000000000 ] - [ -0.0000001100000000, 0.0000000700000000, -0.0002860000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002866400000000 ] - [ 0.0000000000000000, -0.0000001300000000, -0.0002860000000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003627900000000 ] - [ 0.0000000000000000, -0.0000001900000000, 0.0003626100000000 ] - [ 0.0000001600000000, 0.0000000900000000, 0.0003626100000000 ] - [ -0.0000001600000000, 0.0000000900000000, 0.0003626100000000 ] - [ 0.0000000000000000, -0.0000029600000000, -0.0001261700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001294000000000 ] - [ -0.0000025600000000, 0.0000014800000000, -0.0001261700000000 ] - [ 0.0000025600000000, 0.0000014800000000, -0.0001261700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001171500000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0001169400000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0001169400000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0001169400000000 ] - [ 0.0000000000000000, -0.0000028000000000, -0.0001576700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001076800000000 ] - [ -0.0000024200000000, 0.0000014000000000, -0.0001576700000000 ] - [ 0.0000024200000000, 0.0000014000000000, -0.0001576700000000 ] - [ 0.0000000000000000, 0.0000097100000000, 0.0003968000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004017500000000 ] - [ 0.0000084100000000, -0.0000048600000000, 0.0003968000000000 ] - [ -0.0000084100000000, -0.0000048600000000, 0.0003968000000000 ] - [ 0.0080380400000000, 0.0046407600000000, -0.0083726500000000 ] - [ -0.0080380400000000, 0.0046407600000000, -0.0083726500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022486800000000 ] - [ 0.0000000000000000, -0.0092815200000000, -0.0083726500000000 ] - [ 0.0000000000000000, -0.0000004100000000, 0.0002844200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002842700000000 ] - [ -0.0000003600000000, 0.0000002100000000, 0.0002844200000000 ] - [ 0.0000003600000000, 0.0000002100000000, 0.0002844200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000934400000000 ] - [ 0.0000000000000000, -0.0002691900000000, -0.0001913200000000 ] - [ 0.0002331200000000, 0.0001345900000000, -0.0001913200000000 ] - [ -0.0002331200000000, 0.0001345900000000, -0.0001913200000000 ] - [ -0.0000321000000000, -0.0000185400000000, -0.0007901700000000 ] - [ 0.0000321000000000, -0.0000185400000000, -0.0007901700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007301500000000 ] - [ 0.0000000000000000, 0.0000370700000000, -0.0007901700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001546700000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0001551900000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0001551900000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0001551900000000 ] - [ 0.0000000000000000, 0.0040862600000000, -0.0044249000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003763800000000 ] - [ 0.0035388000000000, -0.0020431300000000, -0.0044249000000000 ] - [ -0.0035388000000000, -0.0020431300000000, -0.0044249000000000 ] - [ -0.0004452800000000, -0.0002570800000000, -0.0003446400000000 ] - [ 0.0004452800000000, -0.0002570800000000, -0.0003446400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002433500000000 ] - [ 0.0000000000000000, 0.0005141700000000, -0.0003446400000000 ] - [ -0.0000001000000000, -0.0000000600000000, -0.0001313800000000 ] - [ 0.0000001000000000, -0.0000000600000000, -0.0001313800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001215300000000 ] - [ 0.0000000000000000, 0.0000001200000000, -0.0001313800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003060800000000 ] - [ 0.0000000000000000, 0.0000357600000000, 0.0001623300000000 ] - [ -0.0000309700000000, -0.0000178800000000, 0.0001623300000000 ] - [ 0.0000309700000000, -0.0000178800000000, 0.0001623300000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0001056300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001061700000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0001056300000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0001056300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0367029800000000 ] - [ 0.0000000000000000, -0.0002154000000000, 0.0015092800000000 ] - [ 0.0001865400000000, 0.0001077000000000, 0.0015092800000000 ] - [ -0.0001865400000000, 0.0001077000000000, 0.0015092800000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0003149700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003156400000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0003149700000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0003149700000000 ] - [ 0.0000002300000000, 0.0000001300000000, -0.0003316200000000 ] - [ -0.0000002300000000, 0.0000001300000000, -0.0003316200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003309400000000 ] - [ 0.0000000000000000, -0.0000002600000000, -0.0003316200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003508300000000 ] - [ 0.0000000000000000, 0.0000009500000000, 0.0003605400000000 ] - [ -0.0000008300000000, -0.0000004800000000, 0.0003605400000000 ] - [ 0.0000008300000000, -0.0000004800000000, 0.0003605400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003497600000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0003577800000000 ] - [ 0.0000000600000000, 0.0000000400000000, 0.0003577800000000 ] - [ -0.0000000600000000, 0.0000000400000000, 0.0003577800000000 ] - [ 0.0000014000000000, 0.0000008100000000, -0.0007303100000000 ] - [ -0.0000014000000000, 0.0000008100000000, -0.0007303100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007292100000000 ] - [ 0.0000000000000000, -0.0000016200000000, -0.0007303100000000 ] - [ 0.0000000000000000, 0.0000123500000000, 0.0003435700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000311400000000 ] - [ 0.0000107000000000, -0.0000061800000000, 0.0003435700000000 ] - [ -0.0000107000000000, -0.0000061800000000, 0.0003435700000000 ] - [ -0.0000002300000000, -0.0000001300000000, -0.0000950600000000 ] - [ 0.0000002300000000, -0.0000001300000000, -0.0000950600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000944100000000 ] - [ 0.0000000000000000, 0.0000002700000000, -0.0000950600000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0004445900000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0004445900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004440100000000 ] - [ 0.0000000000000000, 0.0000001100000000, -0.0004445900000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002307400000000, 0.0000132700000000, 0.0002131600000000 ] - [ -0.0009379900000000, 0.0000061600000000, 0.0002099900000000 ] - [ 0.0057160800000000, -0.0031434400000000, 0.0062298800000000 ] - [ 0.0059761400000000, 0.0033418600000000, -0.0060955400000000 ] - [ 0.0000002000000000, -0.0000000300000000, -0.0002847200000000 ] - [ 0.0000000900000000, -0.0000000100000000, -0.0002847300000000 ] - [ -0.0000001900000000, -0.0000001400000000, -0.0002847200000000 ] - [ -0.0000001600000000, 0.0000001700000000, -0.0002847000000000 ] - [ -0.0000014700000000, -0.0000004200000000, -0.0000412900000000 ] - [ 0.0000008000000000, 0.0000000100000000, -0.0000410900000000 ] - [ 0.0000009800000000, -0.0000016100000000, -0.0000419700000000 ] - [ 0.0000012800000000, 0.0000017200000000, -0.0000407700000000 ] - [ 0.0000005300000000, -0.0000000600000000, -0.0003054900000000 ] - [ 0.0000001500000000, -0.0000000500000000, -0.0003055000000000 ] - [ 0.0000003300000000, 0.0000000300000000, -0.0003055500000000 ] - [ 0.0000003500000000, -0.0000001900000000, -0.0003054600000000 ] - [ 0.0000070300000000, -0.0000001600000000, 0.0002399700000000 ] - [ 0.0000061000000000, 0.0000000800000000, 0.0002397400000000 ] - [ -0.0000213600000000, -0.0000156600000000, 0.0001905400000000 ] - [ -0.0000210000000000, 0.0000158300000000, 0.0002894400000000 ] - [ 0.0000000100000000, 0.0000002800000000, 0.0006912100000000 ] - [ 0.0000000200000000, -0.0000001800000000, 0.0006914200000000 ] - [ 0.0000004200000000, 0.0000000500000000, 0.0006913100000000 ] - [ 0.0000003300000000, 0.0000000500000000, 0.0006913100000000 ] - [ -0.0000286900000000, 0.0000000100000000, 0.0001271300000000 ] - [ -0.0000828200000000, -0.0000007300000000, 0.0001273200000000 ] - [ 0.0000192200000000, 0.0000594100000000, 0.0001157900000000 ] - [ 0.0000177800000000, -0.0000575500000000, 0.0001374400000000 ] - [ 0.0000011100000000, 0.0000000200000000, -0.0002640400000000 ] - [ -0.0000010600000000, 0.0000000200000000, -0.0002640400000000 ] - [ -0.0000001300000000, 0.0000007700000000, -0.0002646300000000 ] - [ -0.0000001300000000, -0.0000006700000000, -0.0002634700000000 ] - [ 0.0000005100000000, -0.0000000200000000, -0.0006966700000000 ] - [ 0.0000005200000000, -0.0000003300000000, -0.0006964900000000 ] - [ 0.0000007900000000, -0.0000001800000000, -0.0006965800000000 ] - [ -0.0000000400000000, -0.0000001800000000, -0.0006965700000000 ] - [ -0.0000066900000000, 0.0000000700000000, 0.0002326400000000 ] - [ 0.0001269300000000, 0.0000001500000000, 0.0002331400000000 ] - [ -0.0000159500000000, 0.0000054000000000, 0.0002329500000000 ] - [ -0.0000156200000000, -0.0000051100000000, 0.0002314200000000 ] - [ 0.0000005100000000, 0.0000003100000000, -0.0006199400000000 ] - [ -0.0000010200000000, 0.0000003000000000, -0.0006199400000000 ] - [ -0.0000008700000000, 0.0000004000000000, -0.0006199800000000 ] - [ -0.0000008700000000, 0.0000002200000000, -0.0006199100000000 ] - [ -0.0000001800000000, -0.0000000400000000, 0.0002733800000000 ] - [ -0.0000001700000000, 0.0000007000000000, 0.0002755000000000 ] - [ -0.0000008200000000, 0.0000003200000000, 0.0002744400000000 ] - [ 0.0000005300000000, 0.0000003300000000, 0.0002744400000000 ] - [ 0.0000089100000000, -0.0000304600000000, -0.0000179100000000 ] - [ 0.0000087300000000, 0.0000305400000000, -0.0000816800000000 ] - [ -0.0000440100000000, -0.0000000600000000, -0.0000497500000000 ] - [ 0.0000286800000000, -0.0000001200000000, -0.0000498300000000 ] - [ -0.0000009400000000, 0.0000001400000000, 0.0002904200000000 ] - [ -0.0000005100000000, 0.0000001300000000, 0.0002904300000000 ] - [ -0.0000004600000000, -0.0000001400000000, 0.0002903400000000 ] - [ -0.0000004500000000, 0.0000004100000000, 0.0002905100000000 ] - [ 0.0000030300000000, -0.0000002600000000, 0.0001830200000000 ] - [ -0.0000002600000000, -0.0000002700000000, 0.0001830000000000 ] - [ 0.0000002900000000, 0.0000000500000000, 0.0001827200000000 ] - [ 0.0000002900000000, -0.0000005800000000, 0.0001832600000000 ] - [ 0.0000001500000000, -0.0000003100000000, -0.0002995900000000 ] - [ 0.0000000400000000, -0.0000003100000000, -0.0002995900000000 ] - [ 0.0000002500000000, -0.0000003700000000, -0.0002995800000000 ] - [ 0.0000002400000000, -0.0000002600000000, -0.0002996100000000 ] - [ -0.0273912900000000, -0.0001846400000000, 0.0006587000000000 ] - [ 0.0106529800000000, -0.0000059200000000, 0.0003961100000000 ] - [ 0.0019644900000000, -0.0050068200000000, 0.0002702000000000 ] - [ 0.0019744200000000, 0.0050192800000000, 0.0005135600000000 ] - [ 0.0004696500000000, -0.0002820000000000, 0.0003822300000000 ] - [ 0.0004645000000000, 0.0002750800000000, -0.0008713600000000 ] - [ -0.0000153300000000, -0.0000004200000000, -0.0002519300000000 ] - [ -0.0000215800000000, -0.0000006200000000, -0.0002521900000000 ] - [ -0.0000067300000000, -0.0000000100000000, 0.0004357300000000 ] - [ 0.0001271800000000, -0.0000001400000000, 0.0004364300000000 ] - [ -0.0000161000000000, 0.0000053600000000, 0.0004239200000000 ] - [ -0.0000160600000000, -0.0000054300000000, 0.0004482000000000 ] - [ -0.0000002600000000, 0.0000002400000000, 0.0004342600000000 ] - [ -0.0000004900000000, 0.0000002300000000, 0.0004342600000000 ] - [ -0.0000000800000000, 0.0000001400000000, 0.0004342400000000 ] - [ -0.0000001000000000, 0.0000003200000000, 0.0004343100000000 ] - [ 0.0000001300000000, -0.0000001600000000, -0.0006500300000000 ] - [ 0.0000001400000000, -0.0000000900000000, -0.0006506700000000 ] - [ 0.0000000700000000, -0.0000001300000000, -0.0006503600000000 ] - [ 0.0000003400000000, -0.0000001300000000, -0.0006503500000000 ] - [ 0.0000029700000000, -0.0000002800000000, 0.0003365500000000 ] - [ -0.0000004500000000, -0.0000002900000000, 0.0003365400000000 ] - [ 0.0000000900000000, 0.0000000300000000, 0.0003355000000000 ] - [ 0.0000001000000000, -0.0000005900000000, 0.0003375900000000 ] - [ 0.0018050500000000, -0.0022296200000000, -0.0035322400000000 ] - [ 0.0018097500000000, 0.0022071600000000, 0.0034749900000000 ] - [ -0.0020348900000000, -0.0000056100000000, -0.0000092700000000 ] - [ -0.0007421200000000, -0.0000048100000000, -0.0000135800000000 ] - [ 0.0000007200000000, -0.0000008400000000, -0.0003667200000000 ] - [ 0.0000007400000000, 0.0000011600000000, -0.0003619100000000 ] - [ -0.0000010000000000, 0.0000001400000000, -0.0003643600000000 ] - [ -0.0000030600000000, 0.0000001500000000, -0.0003643500000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0090191200000000, 0.0091581600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031258200000000 ] - [ 0.0078107900000000, -0.0045095600000000, 0.0091581600000000 ] - [ -0.0078107900000000, -0.0045095600000000, 0.0091581600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004399900000000 ] - [ 0.0000000000000000, -0.0000001900000000, -0.0004394400000000 ] - [ 0.0000001600000000, 0.0000000900000000, -0.0004394400000000 ] - [ -0.0000001600000000, 0.0000000900000000, -0.0004394400000000 ] - [ 0.0000000000000000, 0.0000102700000000, -0.0001946500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001999000000000 ] - [ 0.0000089000000000, -0.0000051400000000, -0.0001946500000000 ] - [ -0.0000089000000000, -0.0000051400000000, -0.0001946500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004605100000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0004596900000000 ] - [ -0.0000000100000000, -0.0000000100000000, -0.0004596900000000 ] - [ 0.0000000100000000, -0.0000000100000000, -0.0004596900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002068500000000 ] - [ 0.0000000000000000, 0.0001831800000000, 0.0000391000000000 ] - [ -0.0001586400000000, -0.0000915900000000, 0.0000391000000000 ] - [ 0.0001586400000000, -0.0000915900000000, 0.0000391000000000 ] - [ -0.0000002100000000, 0.0000001200000000, 0.0005350500000000 ] - [ 0.0000002100000000, 0.0000001200000000, 0.0005350500000000 ] - [ 0.0000000000000000, -0.0000002400000000, 0.0005350500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005356300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000350200000000 ] - [ 0.0000000000000000, -0.0002969300000000, 0.0000830500000000 ] - [ 0.0002571500000000, 0.0001484700000000, 0.0000830500000000 ] - [ -0.0002571500000000, 0.0001484700000000, 0.0000830500000000 ] - [ 0.0000000000000000, -0.0000046300000000, -0.0004213200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004171800000000 ] - [ -0.0000040100000000, 0.0000023200000000, -0.0004213200000000 ] - [ 0.0000040100000000, 0.0000023200000000, -0.0004213200000000 ] - [ -0.0000002100000000, 0.0000001200000000, -0.0006189400000000 ] - [ 0.0000002100000000, 0.0000001200000000, -0.0006189400000000 ] - [ 0.0000000000000000, -0.0000002400000000, -0.0006189400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006196800000000 ] - [ 0.0000000000000000, 0.0000142300000000, 0.0002217300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006135800000000 ] - [ 0.0000123300000000, -0.0000071200000000, 0.0002217300000000 ] - [ -0.0000123300000000, -0.0000071200000000, 0.0002217300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005435000000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0005440900000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0005440900000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0005440900000000 ] - [ -0.0000017100000000, 0.0000009900000000, 0.0003532500000000 ] - [ 0.0000017100000000, 0.0000009900000000, 0.0003532500000000 ] - [ 0.0000000000000000, -0.0000019700000000, 0.0003532500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003510900000000 ] - [ 0.0000643900000000, -0.0000371800000000, 0.0000413500000000 ] - [ -0.0000643900000000, -0.0000371800000000, 0.0000413500000000 ] - [ 0.0000000000000000, 0.0000743500000000, 0.0000413500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000176600000000 ] - [ 0.0000000000000000, 0.0000003500000000, 0.0003695700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003685500000000 ] - [ 0.0000003000000000, -0.0000001700000000, 0.0003695700000000 ] - [ -0.0000003000000000, -0.0000001700000000, 0.0003695700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002689400000000 ] - [ 0.0000000000000000, 0.0000011900000000, 0.0002583900000000 ] - [ -0.0000010300000000, -0.0000005900000000, 0.0002583900000000 ] - [ 0.0000010300000000, -0.0000005900000000, 0.0002583900000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0002202000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002206100000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0002202000000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0002202000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0362528600000000 ] - [ 0.0000000000000000, 0.0001439500000000, -0.0013852300000000 ] - [ -0.0001246700000000, -0.0000719800000000, -0.0013852300000000 ] - [ 0.0001246700000000, -0.0000719800000000, -0.0013852300000000 ] - [ 0.0004918000000000, -0.0002839400000000, 0.0004125000000000 ] - [ -0.0004918000000000, -0.0002839400000000, 0.0004125000000000 ] - [ 0.0000000000000000, 0.0005678800000000, 0.0004125000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003338100000000 ] - [ 0.0000000000000000, -0.0000007800000000, 0.0004264000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008129700000000 ] - [ -0.0000006800000000, 0.0000003900000000, 0.0004264000000000 ] - [ 0.0000006800000000, 0.0000003900000000, 0.0004264000000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0005127600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005120300000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0005127600000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0005127600000000 ] - [ 0.0000002600000000, -0.0000001500000000, -0.0005730500000000 ] - [ -0.0000002600000000, -0.0000001500000000, -0.0005730500000000 ] - [ 0.0000000000000000, 0.0000003000000000, -0.0005730500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005736300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004222000000000 ] - [ 0.0000000000000000, 0.0000002600000000, 0.0004116300000000 ] - [ -0.0000002200000000, -0.0000001300000000, 0.0004116300000000 ] - [ 0.0000002200000000, -0.0000001300000000, 0.0004116300000000 ] - [ -0.0034556300000000, 0.0019951100000000, 0.0037125600000000 ] - [ 0.0034556300000000, 0.0019951100000000, 0.0037125600000000 ] - [ 0.0000000000000000, -0.0039902200000000, 0.0037125600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009923800000000 ] - [ 0.0000003900000000, -0.0000002200000000, -0.0002842500000000 ] - [ -0.0000003900000000, -0.0000002200000000, -0.0002842500000000 ] - [ 0.0000000000000000, 0.0000004400000000, -0.0002842500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002947700000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0092968500000000, -0.0088407400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027232600000000 ] - [ -0.0080513100000000, 0.0046484200000000, -0.0088407400000000 ] - [ 0.0080513100000000, 0.0046484200000000, -0.0088407400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001309700000000 ] - [ 0.0000000000000000, 0.0000002100000000, -0.0001313200000000 ] - [ -0.0000001800000000, -0.0000001000000000, -0.0001313200000000 ] - [ 0.0000001800000000, -0.0000001000000000, -0.0001313200000000 ] - [ 0.0000000000000000, -0.0000103400000000, 0.0001100100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001156300000000 ] - [ -0.0000089500000000, 0.0000051700000000, 0.0001100100000000 ] - [ 0.0000089500000000, 0.0000051700000000, 0.0001100100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001492100000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0001499600000000 ] - [ -0.0000000300000000, -0.0000000100000000, -0.0001499600000000 ] - [ 0.0000000300000000, -0.0000000100000000, -0.0001499600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002706100000000 ] - [ 0.0000000000000000, -0.0001843700000000, 0.0004393900000000 ] - [ 0.0001596700000000, 0.0000921800000000, 0.0004393900000000 ] - [ -0.0001596700000000, 0.0000921800000000, 0.0004393900000000 ] - [ 0.0000001600000000, -0.0000000900000000, 0.0008487900000000 ] - [ -0.0000001600000000, -0.0000000900000000, 0.0008487900000000 ] - [ 0.0000000000000000, 0.0000001900000000, 0.0008487900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008482600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002881200000000 ] - [ 0.0000000000000000, 0.0002893100000000, 0.0001710300000000 ] - [ -0.0002505500000000, -0.0001446500000000, 0.0001710300000000 ] - [ 0.0002505500000000, -0.0001446500000000, 0.0001710300000000 ] - [ 0.0000000000000000, 0.0000046100000000, -0.0001080900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001122000000000 ] - [ 0.0000039900000000, -0.0000023100000000, -0.0001080900000000 ] - [ -0.0000039900000000, -0.0000023100000000, -0.0001080900000000 ] - [ 0.0000002000000000, -0.0000001100000000, -0.0007763100000000 ] - [ -0.0000002000000000, -0.0000001100000000, -0.0007763100000000 ] - [ 0.0000000000000000, 0.0000002300000000, -0.0007763100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007756200000000 ] - [ 0.0000000000000000, -0.0000137800000000, 0.0002444600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001374900000000 ] - [ -0.0000119300000000, 0.0000068900000000, 0.0002444600000000 ] - [ 0.0000119300000000, 0.0000068900000000, 0.0002444600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006985100000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0006979400000000 ] - [ -0.0000000100000000, -0.0000000100000000, -0.0006979400000000 ] - [ 0.0000000100000000, -0.0000000100000000, -0.0006979400000000 ] - [ 0.0000017300000000, -0.0000010000000000, 0.0001938800000000 ] - [ -0.0000017300000000, -0.0000010000000000, 0.0001938800000000 ] - [ 0.0000000000000000, 0.0000019900000000, 0.0001938800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001960200000000 ] - [ -0.0000647500000000, 0.0000373800000000, -0.0001430200000000 ] - [ 0.0000647500000000, 0.0000373800000000, -0.0001430200000000 ] - [ 0.0000000000000000, -0.0000747700000000, -0.0001430200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000835300000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0002146500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002152000000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0002146500000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0002146500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001003000000000 ] - [ 0.0000000000000000, -0.0000011700000000, 0.0001106700000000 ] - [ 0.0000010100000000, 0.0000005900000000, 0.0001106700000000 ] - [ -0.0000010100000000, 0.0000005900000000, 0.0001106700000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0003762000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003757000000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0003762000000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0003762000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0374647100000000 ] - [ 0.0000000000000000, -0.0001371300000000, 0.0021627700000000 ] - [ 0.0001187600000000, 0.0000685700000000, 0.0021627700000000 ] - [ -0.0001187600000000, 0.0000685700000000, 0.0021627700000000 ] - [ -0.0004764600000000, 0.0002750900000000, -0.0008968400000000 ] - [ 0.0004764600000000, 0.0002750900000000, -0.0008968400000000 ] - [ 0.0000000000000000, -0.0005501700000000, -0.0008968400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001748100000000 ] - [ 0.0000000000000000, 0.0000009600000000, 0.0004495600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000616900000000 ] - [ 0.0000008300000000, -0.0000004800000000, 0.0004495600000000 ] - [ -0.0000008300000000, -0.0000004800000000, 0.0004495600000000 ] - [ 0.0000000000000000, 0.0000001000000000, 0.0003586200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003592800000000 ] - [ 0.0000000800000000, -0.0000000500000000, 0.0003586200000000 ] - [ -0.0000000800000000, -0.0000000500000000, 0.0003586200000000 ] - [ -0.0000002600000000, 0.0000001500000000, -0.0007293000000000 ] - [ 0.0000002600000000, 0.0000001500000000, -0.0007293000000000 ] - [ 0.0000000000000000, -0.0000003100000000, -0.0007293000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007286100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002540600000000 ] - [ 0.0000000000000000, -0.0000002700000000, 0.0002647300000000 ] - [ 0.0000002300000000, 0.0000001300000000, 0.0002647300000000 ] - [ -0.0000002300000000, 0.0000001300000000, 0.0002647300000000 ] - [ 0.0035071000000000, -0.0020248300000000, -0.0038093700000000 ] - [ -0.0035071000000000, -0.0020248300000000, -0.0038093700000000 ] - [ 0.0000000000000000, 0.0040496500000000, -0.0038093700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009611600000000 ] - [ -0.0000003700000000, 0.0000002100000000, -0.0004459700000000 ] - [ 0.0000003700000000, 0.0000002100000000, -0.0004459700000000 ] - [ 0.0000000000000000, -0.0000004300000000, -0.0004459700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004356600000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000034000000000, 0.0000312400000000, 0.0002181000000000 ] - [ 0.0000050300000000, -0.0000301200000000, 0.0001914600000000 ] - [ -0.0001469200000000, -0.0000027800000000, 0.0002048900000000 ] - [ -0.0000489300000000, -0.0000000600000000, 0.0002056300000000 ] - [ -0.0000000500000000, 0.0000012400000000, -0.0002841800000000 ] - [ -0.0000000400000000, -0.0000012700000000, -0.0002841200000000 ] - [ 0.0000021300000000, 0.0000000200000000, -0.0002841300000000 ] - [ -0.0000019700000000, 0.0000000200000000, -0.0002841400000000 ] - [ -0.0000039200000000, 0.0000986600000000, 0.0000298900000000 ] - [ -0.0000034300000000, -0.0000986800000000, -0.0001107900000000 ] - [ 0.0002048100000000, -0.0000000600000000, -0.0000404600000000 ] - [ -0.0001747200000000, -0.0000000500000000, -0.0000405100000000 ] - [ 0.0000001300000000, 0.0000001500000000, -0.0003050800000000 ] - [ 0.0000001100000000, -0.0000002700000000, -0.0003047600000000 ] - [ 0.0000004800000000, -0.0000000700000000, -0.0003049300000000 ] - [ 0.0000003900000000, -0.0000000900000000, -0.0003049200000000 ] - [ 0.0000010800000000, -0.0000009000000000, 0.0002413000000000 ] - [ 0.0000014200000000, 0.0000010300000000, 0.0002402800000000 ] - [ -0.0000001500000000, -0.0000004500000000, 0.0002407100000000 ] - [ -0.0000006200000000, -0.0000000100000000, 0.0002404900000000 ] - [ 0.0000003700000000, 0.0000000500000000, 0.0006919000000000 ] - [ 0.0000000500000000, 0.0000000500000000, 0.0006919000000000 ] - [ 0.0000002300000000, 0.0000001600000000, 0.0006918800000000 ] - [ 0.0000002300000000, -0.0000000400000000, 0.0006919200000000 ] - [ 0.0056093900000000, -0.0030919400000000, -0.0057857800000000 ] - [ 0.0058715400000000, 0.0032899600000000, 0.0063135700000000 ] - [ 0.0002146400000000, 0.0000150700000000, 0.0001175900000000 ] - [ -0.0009371400000000, 0.0000064300000000, 0.0001215100000000 ] - [ -0.0000000700000000, -0.0000000600000000, -0.0002635900000000 ] - [ -0.0000000700000000, 0.0000001000000000, -0.0002633400000000 ] - [ 0.0000002200000000, 0.0000000500000000, -0.0002634800000000 ] - [ 0.0000000600000000, 0.0000000500000000, -0.0002634800000000 ] - [ 0.0000004800000000, -0.0000001700000000, -0.0006968300000000 ] - [ 0.0000002100000000, -0.0000001700000000, -0.0006968300000000 ] - [ 0.0000001300000000, -0.0000002200000000, -0.0006967000000000 ] - [ 0.0000001300000000, -0.0000001300000000, -0.0006969400000000 ] - [ 0.0018088300000000, 0.0022072400000000, -0.0032350000000000 ] - [ 0.0018057700000000, -0.0022293600000000, 0.0037271000000000 ] - [ -0.0007421200000000, -0.0000046100000000, 0.0002306900000000 ] - [ -0.0020348400000000, -0.0000065800000000, 0.0002256800000000 ] - [ 0.0000001100000000, -0.0000001700000000, -0.0006196100000000 ] - [ -0.0000002000000000, 0.0000006000000000, -0.0006202600000000 ] - [ -0.0000007100000000, 0.0000003100000000, -0.0006202000000000 ] - [ -0.0000002900000000, 0.0000003100000000, -0.0006202000000000 ] - [ 0.0000002000000000, 0.0000003300000000, 0.0002741700000000 ] - [ -0.0000001400000000, 0.0000003300000000, 0.0002741600000000 ] - [ -0.0000001200000000, 0.0000003400000000, 0.0002741800000000 ] - [ -0.0000001200000000, 0.0000003200000000, 0.0002741500000000 ] - [ 0.0000026000000000, -0.0000000100000000, -0.0000500600000000 ] - [ -0.0000001600000000, -0.0000000400000000, -0.0000500700000000 ] - [ 0.0000002700000000, 0.0000002000000000, -0.0000502200000000 ] - [ 0.0000002400000000, -0.0000002800000000, -0.0000498800000000 ] - [ 0.0000000500000000, -0.0000000400000000, 0.0002903400000000 ] - [ 0.0000000400000000, 0.0000003200000000, 0.0002900700000000 ] - [ -0.0000006100000000, 0.0000001300000000, 0.0002902100000000 ] - [ 0.0000003600000000, 0.0000001300000000, 0.0002902100000000 ] - [ 0.0000087900000000, -0.0000309500000000, 0.0002475700000000 ] - [ 0.0000088700000000, 0.0000303100000000, 0.0001181100000000 ] - [ -0.0000442300000000, -0.0000002800000000, 0.0001826900000000 ] - [ 0.0000285600000000, -0.0000002100000000, 0.0001828000000000 ] - [ 0.0000005600000000, -0.0000004800000000, -0.0002998800000000 ] - [ 0.0000005600000000, -0.0000001400000000, -0.0002997100000000 ] - [ 0.0000000300000000, -0.0000003100000000, -0.0002998000000000 ] - [ 0.0000008600000000, -0.0000003100000000, -0.0002997900000000 ] - [ 0.0004640100000000, -0.0002757300000000, 0.0008704400000000 ] - [ 0.0004701100000000, 0.0002813600000000, -0.0000977200000000 ] - [ -0.0000153600000000, 0.0000035100000000, 0.0003962100000000 ] - [ -0.0000215900000000, -0.0000001400000000, 0.0003927100000000 ] - [ -0.0269186500000000, -0.0001997000000000, -0.0005229600000000 ] - [ 0.0107432900000000, -0.0000056400000000, -0.0002547500000000 ] - [ 0.0019854000000000, -0.0050471700000000, -0.0000923200000000 ] - [ 0.0019952700000000, 0.0050590900000000, -0.0004091000000000 ] - [ 0.0000006900000000, 0.0000010500000000, 0.0004362700000000 ] - [ 0.0000006800000000, -0.0000009100000000, 0.0004353000000000 ] - [ -0.0000030800000000, 0.0000000500000000, 0.0004358000000000 ] - [ -0.0000010200000000, 0.0000000700000000, 0.0004358600000000 ] - [ -0.0000001800000000, 0.0000006000000000, 0.0004323300000000 ] - [ -0.0000001700000000, -0.0000001300000000, 0.0004357500000000 ] - [ 0.0000005100000000, 0.0000002400000000, 0.0004340500000000 ] - [ -0.0000008100000000, 0.0000002400000000, 0.0004340500000000 ] - [ 0.0000025200000000, -0.0000001300000000, -0.0006506000000000 ] - [ -0.0000004000000000, -0.0000001300000000, -0.0006505900000000 ] - [ 0.0000000200000000, 0.0000001100000000, -0.0006508600000000 ] - [ 0.0000000200000000, -0.0000003700000000, -0.0006503500000000 ] - [ 0.0000001500000000, -0.0000003200000000, 0.0003365900000000 ] - [ 0.0000001500000000, -0.0000002400000000, 0.0003361000000000 ] - [ 0.0000000700000000, -0.0000002800000000, 0.0003363500000000 ] - [ 0.0000003400000000, -0.0000002800000000, 0.0003363500000000 ] - [ 0.0000274400000000, -0.0000001100000000, -0.0000150900000000 ] - [ -0.0000064700000000, -0.0000004800000000, -0.0000158700000000 ] - [ -0.0000470900000000, -0.0000224500000000, 0.0000156500000000 ] - [ -0.0000460400000000, 0.0000238500000000, -0.0000462600000000 ] - [ 0.0000277300000000, 0.0000000800000000, -0.0003645700000000 ] - [ -0.0000062100000000, -0.0000000300000000, -0.0003649200000000 ] - [ -0.0000464300000000, -0.0000232400000000, -0.0001963100000000 ] - [ -0.0000466900000000, 0.0000233600000000, -0.0005330100000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000349500000000, -0.0000201800000000, 0.0001944300000000 ] - [ 0.0000349500000000, -0.0000201800000000, 0.0001944300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001443500000000 ] - [ 0.0000000000000000, 0.0000403600000000, 0.0001944300000000 ] - [ 0.0000030500000000, -0.0000017600000000, -0.0004410900000000 ] - [ -0.0000030500000000, -0.0000017600000000, -0.0004410900000000 ] - [ 0.0000000000000000, 0.0000035200000000, -0.0004410900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004382600000000 ] - [ 0.0000023800000000, 0.0000013700000000, -0.0001867600000000 ] - [ -0.0000023800000000, 0.0000013700000000, -0.0001867600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002366700000000 ] - [ 0.0000000000000000, -0.0000027500000000, -0.0001867600000000 ] - [ -0.0000001700000000, 0.0000001000000000, -0.0004609400000000 ] - [ 0.0000001700000000, 0.0000001000000000, -0.0004609400000000 ] - [ 0.0000000000000000, -0.0000002000000000, -0.0004609400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004604200000000 ] - [ -0.0000051800000000, 0.0000029900000000, 0.0000850000000000 ] - [ 0.0000051800000000, 0.0000029900000000, 0.0000850000000000 ] - [ 0.0000000000000000, -0.0000059800000000, 0.0000850000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000848000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005342300000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0005346800000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0005346800000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0005346800000000 ] - [ -0.0080272600000000, 0.0046345400000000, 0.0091552800000000 ] - [ 0.0080272600000000, 0.0046345400000000, 0.0091552800000000 ] - [ 0.0000000000000000, -0.0092690800000000, 0.0091552800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030473600000000 ] - [ -0.0000002400000000, -0.0000001400000000, -0.0004212100000000 ] - [ 0.0000002400000000, -0.0000001400000000, -0.0004212100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004206000000000 ] - [ 0.0000000000000000, 0.0000002800000000, -0.0004212100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006187200000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0006183800000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0006183800000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0006183800000000 ] - [ -0.0035294400000000, -0.0020377200000000, 0.0040241000000000 ] - [ 0.0035294400000000, -0.0020377200000000, 0.0040241000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007446800000000 ] - [ 0.0000000000000000, 0.0040754400000000, 0.0040241000000000 ] - [ 0.0000002900000000, -0.0000001700000000, -0.0005422300000000 ] - [ -0.0000002900000000, -0.0000001700000000, -0.0005422300000000 ] - [ 0.0000000000000000, 0.0000003300000000, -0.0005422300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005433400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003536800000000 ] - [ 0.0000000000000000, 0.0000001000000000, 0.0003537900000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0003537900000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0003537900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000347800000000 ] - [ 0.0000000000000000, 0.0000002800000000, 0.0000269800000000 ] - [ -0.0000002400000000, -0.0000001400000000, 0.0000269800000000 ] - [ 0.0000002400000000, -0.0000001400000000, 0.0000269800000000 ] - [ 0.0000000600000000, 0.0000000300000000, 0.0003697300000000 ] - [ -0.0000000600000000, 0.0000000300000000, 0.0003697300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003690200000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0003697300000000 ] - [ 0.0000318800000000, -0.0000184000000000, 0.0002747000000000 ] - [ -0.0000318800000000, -0.0000184000000000, 0.0002747000000000 ] - [ 0.0000000000000000, 0.0000368100000000, 0.0002747000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002152800000000 ] - [ -0.0000002100000000, -0.0000001200000000, -0.0002193400000000 ] - [ 0.0000002100000000, -0.0000001200000000, -0.0002193400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002200900000000 ] - [ 0.0000000000000000, 0.0000002500000000, -0.0002193400000000 ] - [ 0.0006168400000000, -0.0003561300000000, 0.0010358400000000 ] - [ -0.0006168400000000, -0.0003561300000000, 0.0010358400000000 ] - [ 0.0000000000000000, 0.0007122600000000, 0.0010358400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003147400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0374588500000000 ] - [ 0.0000000000000000, -0.0001790200000000, -0.0019510200000000 ] - [ 0.0001550400000000, 0.0000895100000000, -0.0019510200000000 ] - [ -0.0001550400000000, 0.0000895100000000, -0.0019510200000000 ] - [ -0.0000024900000000, -0.0000014400000000, 0.0005165400000000 ] - [ 0.0000024900000000, -0.0000014400000000, 0.0005165400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005062100000000 ] - [ 0.0000000000000000, 0.0000028700000000, 0.0005165400000000 ] - [ -0.0000010300000000, -0.0000005900000000, 0.0005137000000000 ] - [ 0.0000010300000000, -0.0000005900000000, 0.0005137000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005115100000000 ] - [ 0.0000000000000000, 0.0000011900000000, 0.0005137000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005659800000000 ] - [ 0.0000000000000000, 0.0000002300000000, -0.0005741100000000 ] - [ -0.0000002000000000, -0.0000001200000000, -0.0005741100000000 ] - [ 0.0000002000000000, -0.0000001200000000, -0.0005741100000000 ] - [ 0.0000002800000000, -0.0000001600000000, 0.0004144400000000 ] - [ -0.0000002800000000, -0.0000001600000000, 0.0004144400000000 ] - [ 0.0000000000000000, 0.0000003200000000, 0.0004144400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004138500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000277200000000 ] - [ 0.0000000000000000, 0.0001917400000000, 0.0001111000000000 ] - [ -0.0001660500000000, -0.0000958700000000, 0.0001111000000000 ] - [ 0.0001660500000000, -0.0000958700000000, 0.0001111000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003788600000000 ] - [ 0.0000000000000000, 0.0000357100000000, -0.0002375600000000 ] - [ -0.0000309300000000, -0.0000178600000000, -0.0002375600000000 ] - [ 0.0000309300000000, -0.0000178600000000, -0.0002375600000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000365500000000, 0.0000211000000000, 0.0002136200000000 ] - [ -0.0000365500000000, 0.0000211000000000, 0.0002136200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005613300000000 ] - [ 0.0000000000000000, -0.0000422100000000, 0.0002136200000000 ] - [ -0.0000030400000000, 0.0000017500000000, -0.0001261500000000 ] - [ 0.0000030400000000, 0.0000017500000000, -0.0001261500000000 ] - [ 0.0000000000000000, -0.0000035100000000, -0.0001261500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001289800000000 ] - [ -0.0000025500000000, -0.0000014700000000, 0.0001070600000000 ] - [ 0.0000025500000000, -0.0000014700000000, 0.0001070600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001564000000000 ] - [ 0.0000000000000000, 0.0000029500000000, 0.0001070600000000 ] - [ 0.0000001200000000, -0.0000000700000000, -0.0001474700000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0001474700000000 ] - [ 0.0000000000000000, 0.0000001400000000, -0.0001474700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001480100000000 ] - [ 0.0000049900000000, -0.0000028800000000, 0.0003977300000000 ] - [ -0.0000049900000000, -0.0000028800000000, 0.0003977300000000 ] - [ 0.0000000000000000, 0.0000057600000000, 0.0003977300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003973300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008510600000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0008504700000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0008504700000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0008504700000000 ] - [ 0.0077868000000000, -0.0044957100000000, -0.0088082600000000 ] - [ -0.0077868000000000, -0.0044957100000000, -0.0088082600000000 ] - [ 0.0000000000000000, 0.0089914200000000, -0.0088082600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027856100000000 ] - [ 0.0000001900000000, 0.0000001100000000, -0.0001044800000000 ] - [ -0.0000001900000000, 0.0000001100000000, -0.0001044800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001051200000000 ] - [ 0.0000000000000000, -0.0000002200000000, -0.0001044800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007767600000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0007770500000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0007770500000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0007770500000000 ] - [ 0.0034778200000000, 0.0020079200000000, -0.0034954300000000 ] - [ -0.0034778200000000, 0.0020079200000000, -0.0034954300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012098300000000 ] - [ 0.0000000000000000, -0.0040158400000000, -0.0034954300000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0006988900000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0006988900000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0006988900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006983400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001933300000000 ] - [ 0.0000000000000000, -0.0000001100000000, 0.0001931900000000 ] - [ 0.0000000900000000, 0.0000000500000000, 0.0001931900000000 ] - [ -0.0000000900000000, 0.0000000500000000, 0.0001931900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001363200000000 ] - [ 0.0000000000000000, -0.0000003100000000, -0.0001283600000000 ] - [ 0.0000002700000000, 0.0000001600000000, -0.0001283600000000 ] - [ -0.0000002700000000, 0.0000001600000000, -0.0001283600000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0002122300000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0002122300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002129100000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0002122300000000 ] - [ -0.0000316100000000, 0.0000182500000000, 0.0000921400000000 ] - [ 0.0000316100000000, 0.0000182500000000, 0.0000921400000000 ] - [ 0.0000000000000000, -0.0000365000000000, 0.0000921400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001511700000000 ] - [ 0.0000002000000000, 0.0000001100000000, -0.0003792300000000 ] - [ -0.0000002000000000, 0.0000001100000000, -0.0003792300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003785100000000 ] - [ 0.0000000000000000, -0.0000002300000000, -0.0003792300000000 ] - [ -0.0006368200000000, 0.0003676700000000, -0.0002722500000000 ] - [ 0.0006368200000000, 0.0003676700000000, -0.0002722500000000 ] - [ 0.0000000000000000, -0.0007353400000000, -0.0002722500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004750900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0364924700000000 ] - [ 0.0000000000000000, 0.0001867600000000, 0.0014554700000000 ] - [ -0.0001617400000000, -0.0000933800000000, 0.0014554700000000 ] - [ 0.0001617400000000, -0.0000933800000000, 0.0014554700000000 ] - [ 0.0000025300000000, 0.0000014600000000, 0.0003556800000000 ] - [ -0.0000025300000000, 0.0000014600000000, 0.0003556800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003662200000000 ] - [ 0.0000000000000000, -0.0000029200000000, 0.0003556800000000 ] - [ 0.0000010100000000, 0.0000005800000000, 0.0003558300000000 ] - [ -0.0000010100000000, 0.0000005800000000, 0.0003558300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003580400000000 ] - [ 0.0000000000000000, -0.0000011700000000, 0.0003558300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007371100000000 ] - [ 0.0000000000000000, -0.0000002300000000, -0.0007290200000000 ] - [ 0.0000002000000000, 0.0000001200000000, -0.0007290200000000 ] - [ -0.0000002000000000, 0.0000001200000000, -0.0007290200000000 ] - [ -0.0000002800000000, 0.0000001600000000, 0.0002590900000000 ] - [ 0.0000002800000000, 0.0000001600000000, 0.0002590900000000 ] - [ 0.0000000000000000, -0.0000003200000000, 0.0002590900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002596400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000018400000000 ] - [ 0.0000000000000000, -0.0001969100000000, -0.0001444400000000 ] - [ 0.0001705300000000, 0.0000984500000000, -0.0001444400000000 ] - [ -0.0001705300000000, 0.0000984500000000, -0.0001444400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003528300000000 ] - [ 0.0000000000000000, -0.0000357700000000, -0.0004932700000000 ] - [ 0.0000309800000000, 0.0000178900000000, -0.0004932700000000 ] - [ -0.0000309800000000, 0.0000178900000000, -0.0004932700000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000286400000000, 0.0000000100000000, 0.0002054800000000 ] - [ -0.0000829200000000, 0.0000007100000000, 0.0002056700000000 ] - [ 0.0000177200000000, 0.0000575800000000, 0.0002158000000000 ] - [ 0.0000191500000000, -0.0000594200000000, 0.0001941200000000 ] - [ -0.0000001100000000, -0.0000000200000000, -0.0002846600000000 ] - [ -0.0000005000000000, 0.0000000000000000, -0.0002846800000000 ] - [ 0.0000000400000000, -0.0000000800000000, -0.0002843800000000 ] - [ 0.0000000800000000, 0.0000001200000000, -0.0002849300000000 ] - [ 0.0000000900000000, -0.0000000100000000, -0.0000410900000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0000410800000000 ] - [ -0.0000002800000000, -0.0000001500000000, -0.0000410600000000 ] - [ -0.0000002700000000, 0.0000001500000000, -0.0000411000000000 ] - [ 0.0000003600000000, -0.0000000600000000, -0.0003054700000000 ] - [ 0.0000005100000000, -0.0000000500000000, -0.0003054900000000 ] - [ 0.0000001000000000, 0.0000000600000000, -0.0003055700000000 ] - [ 0.0000001300000000, -0.0000002200000000, -0.0003054100000000 ] - [ 0.0002304500000000, -0.0000132000000000, 0.0002484700000000 ] - [ -0.0009377800000000, -0.0000061600000000, 0.0002453100000000 ] - [ 0.0059771500000000, -0.0033426400000000, -0.0060608600000000 ] - [ 0.0057170100000000, 0.0031441100000000, 0.0062657600000000 ] - [ -0.0000002500000000, -0.0000004800000000, 0.0006917800000000 ] - [ -0.0000002600000000, 0.0000005900000000, 0.0006909600000000 ] - [ -0.0000008200000000, 0.0000000700000000, 0.0006913700000000 ] - [ 0.0000006700000000, 0.0000000600000000, 0.0006913600000000 ] - [ -0.0000013800000000, 0.0000003800000000, 0.0001261700000000 ] - [ 0.0000008800000000, -0.0000000400000000, 0.0001263600000000 ] - [ 0.0000013600000000, -0.0000017300000000, 0.0001267500000000 ] - [ 0.0000010700000000, 0.0000015900000000, 0.0001254300000000 ] - [ 0.0000068300000000, 0.0000001900000000, -0.0002640000000000 ] - [ 0.0000062000000000, -0.0000000700000000, -0.0002642500000000 ] - [ -0.0000211100000000, -0.0000159500000000, -0.0002144300000000 ] - [ -0.0000215200000000, 0.0000158200000000, -0.0003135400000000 ] - [ 0.0000004800000000, -0.0000002800000000, -0.0006964100000000 ] - [ 0.0000004900000000, -0.0000000600000000, -0.0006967000000000 ] - [ -0.0000001000000000, -0.0000001700000000, -0.0006965500000000 ] - [ 0.0000006800000000, -0.0000001700000000, -0.0006965500000000 ] - [ 0.0000025200000000, 0.0000000900000000, 0.0002324400000000 ] - [ -0.0000007600000000, 0.0000001000000000, 0.0002324300000000 ] - [ -0.0000002200000000, 0.0000004200000000, 0.0002326700000000 ] - [ -0.0000002200000000, -0.0000002100000000, 0.0002321500000000 ] - [ -0.0000007100000000, 0.0000003100000000, -0.0006199200000000 ] - [ 0.0000007200000000, 0.0000003100000000, -0.0006199200000000 ] - [ -0.0000000700000000, -0.0000000600000000, -0.0006208500000000 ] - [ -0.0000000700000000, 0.0000006800000000, -0.0006190000000000 ] - [ 0.0000087300000000, 0.0000312500000000, 0.0003064500000000 ] - [ 0.0000085600000000, -0.0000307400000000, 0.0002424400000000 ] - [ 0.0000284800000000, 0.0000004200000000, 0.0002744200000000 ] - [ -0.0000450400000000, 0.0000003600000000, 0.0002744900000000 ] - [ 0.0018055200000000, 0.0022297700000000, -0.0035672800000000 ] - [ 0.0018102300000000, -0.0022070000000000, 0.0034406200000000 ] - [ -0.0007415900000000, 0.0000049600000000, -0.0000482800000000 ] - [ -0.0020344000000000, 0.0000057700000000, -0.0000439800000000 ] - [ 0.0000000600000000, 0.0000001500000000, 0.0002904600000000 ] - [ -0.0000002200000000, 0.0000001400000000, 0.0002904600000000 ] - [ -0.0000002900000000, 0.0000001000000000, 0.0002903600000000 ] - [ -0.0000002900000000, 0.0000001800000000, 0.0002905500000000 ] - [ 0.0000001600000000, -0.0000002600000000, 0.0001830300000000 ] - [ -0.0000000900000000, -0.0000002600000000, 0.0001830300000000 ] - [ 0.0000003100000000, -0.0000003500000000, 0.0001830600000000 ] - [ 0.0000003200000000, -0.0000001700000000, 0.0001830000000000 ] - [ 0.0000024800000000, -0.0000003100000000, -0.0002995600000000 ] - [ -0.0000003100000000, -0.0000003100000000, -0.0002995600000000 ] - [ 0.0000001700000000, -0.0000000300000000, -0.0002987000000000 ] - [ 0.0000001600000000, -0.0000005800000000, -0.0003004100000000 ] - [ -0.0000061800000000, -0.0000002200000000, 0.0003928700000000 ] - [ 0.0001274700000000, -0.0000003000000000, 0.0003933600000000 ] - [ -0.0000151300000000, 0.0000049600000000, 0.0003916600000000 ] - [ -0.0000154400000000, -0.0000055400000000, 0.0003931600000000 ] - [ 0.0000011900000000, 0.0000009000000000, -0.0002537500000000 ] - [ 0.0000012000000000, -0.0000011000000000, -0.0002489500000000 ] - [ -0.0000025800000000, -0.0000001000000000, -0.0002513800000000 ] - [ -0.0000005400000000, -0.0000000900000000, -0.0002514000000000 ] - [ -0.0273977900000000, 0.0001848100000000, 0.0006995700000000 ] - [ 0.0106522100000000, 0.0000052600000000, 0.0004395800000000 ] - [ 0.0019738500000000, -0.0050191600000000, 0.0005569500000000 ] - [ 0.0019640500000000, 0.0050066400000000, 0.0003137400000000 ] - [ 0.0000000500000000, 0.0000002400000000, 0.0004343000000000 ] - [ -0.0000005000000000, 0.0000002300000000, 0.0004343000000000 ] - [ 0.0000006800000000, 0.0000009100000000, 0.0004342800000000 ] - [ 0.0000006700000000, -0.0000004300000000, 0.0004343300000000 ] - [ 0.0000005500000000, -0.0000002900000000, -0.0006504200000000 ] - [ 0.0000005600000000, 0.0000000400000000, -0.0006502300000000 ] - [ 0.0000000000000000, -0.0000001200000000, -0.0006503300000000 ] - [ 0.0000008300000000, -0.0000001200000000, -0.0006503300000000 ] - [ -0.0000059900000000, -0.0000002000000000, 0.0003363100000000 ] - [ 0.0001282700000000, -0.0000000700000000, 0.0003370200000000 ] - [ -0.0000157000000000, 0.0000054300000000, 0.0003489100000000 ] - [ -0.0000157400000000, -0.0000058000000000, 0.0003243800000000 ] - [ 0.0004692500000000, 0.0002821600000000, 0.0006187200000000 ] - [ 0.0004641100000000, -0.0002750500000000, -0.0006351900000000 ] - [ -0.0000220500000000, 0.0000007100000000, -0.0000158500000000 ] - [ -0.0000158300000000, 0.0000005100000000, -0.0000156000000000 ] - [ -0.0000003200000000, 0.0000001900000000, -0.0003639800000000 ] - [ -0.0000003200000000, 0.0000001200000000, -0.0003646200000000 ] - [ -0.0000001200000000, 0.0000001500000000, -0.0003643000000000 ] - [ -0.0000003800000000, 0.0000001500000000, -0.0003643100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000408900000000 ] - [ 0.0000000000000000, 0.0002968700000000, 0.0001602600000000 ] - [ -0.0002570900000000, -0.0001484300000000, 0.0001602600000000 ] - [ 0.0002570900000000, -0.0001484300000000, 0.0001602600000000 ] - [ 0.0000000000000000, 0.0000002600000000, -0.0004399400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004398300000000 ] - [ 0.0000002200000000, -0.0000001300000000, -0.0004399400000000 ] - [ -0.0000002200000000, -0.0000001300000000, -0.0004399400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001969500000000 ] - [ 0.0000000000000000, 0.0000001400000000, -0.0001968500000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0001968500000000 ] - [ 0.0000001200000000, -0.0000000700000000, -0.0001968500000000 ] - [ 0.0000000000000000, -0.0000002600000000, -0.0004579700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004574600000000 ] - [ -0.0000002200000000, 0.0000001300000000, -0.0004579700000000 ] - [ 0.0000002200000000, 0.0000001300000000, -0.0004579700000000 ] - [ 0.0000000000000000, -0.0090199100000000, 0.0091913200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031590300000000 ] - [ -0.0078114700000000, 0.0045099500000000, 0.0091913200000000 ] - [ 0.0078114700000000, 0.0045099500000000, 0.0091913200000000 ] - [ 0.0000040300000000, 0.0000023200000000, 0.0005361600000000 ] - [ -0.0000040300000000, 0.0000023200000000, 0.0005361600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005400900000000 ] - [ 0.0000000000000000, -0.0000046500000000, 0.0005361600000000 ] - [ 0.0000000000000000, -0.0000101700000000, -0.0000278600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000331600000000 ] - [ -0.0000088100000000, 0.0000050800000000, -0.0000278600000000 ] - [ 0.0000088100000000, 0.0000050800000000, -0.0000278600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002992200000000 ] - [ 0.0000000000000000, -0.0001835800000000, -0.0004668100000000 ] - [ 0.0001589900000000, 0.0000917900000000, -0.0004668100000000 ] - [ -0.0001589900000000, 0.0000917900000000, -0.0004668100000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0006223000000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0006223000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006230500000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0006223000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003212400000000 ] - [ 0.0000000000000000, -0.0000011600000000, 0.0003107500000000 ] - [ 0.0000010100000000, 0.0000005800000000, 0.0003107500000000 ] - [ -0.0000010100000000, 0.0000005800000000, 0.0003107500000000 ] - [ 0.0000000000000000, -0.0000016500000000, -0.0005459300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005482400000000 ] - [ -0.0000014300000000, 0.0000008300000000, -0.0005459300000000 ] - [ 0.0000014300000000, 0.0000008300000000, -0.0005459300000000 ] - [ 0.0000649000000000, 0.0000374700000000, 0.0003642000000000 ] - [ -0.0000649000000000, 0.0000374700000000, 0.0003642000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003046100000000 ] - [ 0.0000000000000000, -0.0000749400000000, 0.0003642000000000 ] - [ -0.0034560200000000, -0.0019953300000000, 0.0036765000000000 ] - [ 0.0034560200000000, -0.0019953300000000, 0.0036765000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010294500000000 ] - [ 0.0000000000000000, 0.0039906600000000, 0.0036765000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003713500000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0003715800000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0003715800000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0003715800000000 ] - [ 0.0000000000000000, 0.0000000700000000, 0.0002633200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002626100000000 ] - [ 0.0000000600000000, -0.0000000300000000, 0.0002633200000000 ] - [ -0.0000000600000000, -0.0000000300000000, 0.0002633200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002105900000000 ] - [ 0.0000000000000000, -0.0000005800000000, -0.0002204900000000 ] - [ 0.0000005100000000, 0.0000002900000000, -0.0002204900000000 ] - [ -0.0000005100000000, 0.0000002900000000, -0.0002204900000000 ] - [ 0.0000000000000000, -0.0000142500000000, 0.0003850600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007770600000000 ] - [ -0.0000123400000000, 0.0000071300000000, 0.0003850600000000 ] - [ 0.0000123400000000, 0.0000071300000000, 0.0003850600000000 ] - [ 0.0000004200000000, 0.0000002400000000, -0.0001739900000000 ] - [ -0.0000004200000000, 0.0000002400000000, -0.0001739900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001843000000000 ] - [ 0.0000000000000000, -0.0000004800000000, -0.0001739900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0362050400000000 ] - [ 0.0000000000000000, -0.0001440700000000, -0.0013383500000000 ] - [ 0.0001247700000000, 0.0000720300000000, -0.0013383500000000 ] - [ -0.0001247700000000, 0.0000720300000000, -0.0013383500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005154500000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0005150200000000 ] - [ -0.0000000400000000, -0.0000000300000000, 0.0005150200000000 ] - [ 0.0000000400000000, -0.0000000300000000, 0.0005150200000000 ] - [ -0.0000002200000000, -0.0000001300000000, -0.0005754500000000 ] - [ 0.0000002200000000, -0.0000001300000000, -0.0005754500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005761300000000 ] - [ 0.0000000000000000, 0.0000002600000000, -0.0005754500000000 ] - [ 0.0000000000000000, 0.0000008700000000, 0.0003291100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007171500000000 ] - [ 0.0000007600000000, -0.0000004400000000, 0.0003291100000000 ] - [ -0.0000007600000000, -0.0000004400000000, 0.0003291100000000 ] - [ 0.0004919200000000, 0.0002840100000000, 0.0006464200000000 ] - [ -0.0004919200000000, 0.0002840100000000, 0.0006464200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001001200000000 ] - [ 0.0000000000000000, -0.0005680200000000, 0.0006464200000000 ] - [ 0.0000002700000000, 0.0000001600000000, -0.0002891600000000 ] - [ -0.0000002700000000, 0.0000001600000000, -0.0002891600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002898200000000 ] - [ 0.0000000000000000, -0.0000003100000000, -0.0002891600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003668700000000 ] - [ 0.0000000000000000, -0.0002893300000000, 0.0002488000000000 ] - [ 0.0002505700000000, 0.0001446700000000, 0.0002488000000000 ] - [ -0.0002505700000000, 0.0001446700000000, 0.0002488000000000 ] - [ 0.0000000000000000, -0.0000003400000000, -0.0001313800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001315000000000 ] - [ -0.0000002900000000, 0.0000001700000000, -0.0001313800000000 ] - [ 0.0000002900000000, 0.0000001700000000, -0.0001313800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001119500000000 ] - [ 0.0000000000000000, -0.0000002200000000, 0.0001118000000000 ] - [ 0.0000001900000000, 0.0000001100000000, 0.0001118000000000 ] - [ -0.0000001900000000, 0.0000001100000000, 0.0001118000000000 ] - [ 0.0000000000000000, 0.0000001300000000, -0.0001496600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001501400000000 ] - [ 0.0000001200000000, -0.0000000700000000, -0.0001496600000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0001496600000000 ] - [ 0.0000000000000000, 0.0092980200000000, -0.0088051500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026873500000000 ] - [ 0.0080523200000000, -0.0046490100000000, -0.0088051500000000 ] - [ -0.0080523200000000, -0.0046490100000000, -0.0088051500000000 ] - [ -0.0000041100000000, -0.0000023700000000, 0.0008496100000000 ] - [ 0.0000041100000000, -0.0000023700000000, 0.0008496100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008455400000000 ] - [ 0.0000000000000000, 0.0000047500000000, 0.0008496100000000 ] - [ 0.0000000000000000, 0.0000104300000000, 0.0002774900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002831800000000 ] - [ 0.0000090300000000, -0.0000052100000000, 0.0002774900000000 ] - [ -0.0000090300000000, -0.0000052100000000, 0.0002774900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002318400000000 ] - [ 0.0000000000000000, 0.0001848700000000, -0.0000629200000000 ] - [ -0.0001601100000000, -0.0000924400000000, -0.0000629200000000 ] - [ 0.0001601100000000, -0.0000924400000000, -0.0000629200000000 ] - [ -0.0000001100000000, -0.0000000600000000, -0.0007770700000000 ] - [ 0.0000001100000000, -0.0000000600000000, -0.0007770700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007765000000000 ] - [ 0.0000000000000000, 0.0000001200000000, -0.0007770700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001505900000000 ] - [ 0.0000000000000000, 0.0000011600000000, 0.0001608200000000 ] - [ -0.0000010000000000, -0.0000005800000000, 0.0001608200000000 ] - [ 0.0000010000000000, -0.0000005800000000, 0.0001608200000000 ] - [ 0.0000000000000000, 0.0000017600000000, -0.0006995100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006970400000000 ] - [ 0.0000015300000000, -0.0000008800000000, -0.0006995100000000 ] - [ -0.0000015300000000, -0.0000008800000000, -0.0006995100000000 ] - [ -0.0000652500000000, -0.0000376700000000, 0.0001800200000000 ] - [ 0.0000652500000000, -0.0000376700000000, 0.0001800200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002399700000000 ] - [ 0.0000000000000000, 0.0000753500000000, 0.0001800200000000 ] - [ 0.0035072300000000, 0.0020249000000000, -0.0038457500000000 ] - [ -0.0035072300000000, 0.0020249000000000, -0.0038457500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009249200000000 ] - [ 0.0000000000000000, -0.0040498100000000, -0.0038457500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002156100000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0002152200000000 ] - [ -0.0000000100000000, 0.0000000000000000, 0.0002152200000000 ] - [ 0.0000000100000000, 0.0000000000000000, 0.0002152200000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0001089600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001097200000000 ] - [ -0.0000000600000000, 0.0000000400000000, 0.0001089600000000 ] - [ 0.0000000600000000, 0.0000000400000000, 0.0001089600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003837400000000 ] - [ 0.0000000000000000, 0.0000006000000000, -0.0003735300000000 ] - [ -0.0000005200000000, -0.0000003000000000, -0.0003735300000000 ] - [ 0.0000005200000000, -0.0000003000000000, -0.0003735300000000 ] - [ 0.0000000000000000, 0.0000137900000000, 0.0004053400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000233400000000 ] - [ 0.0000119400000000, -0.0000069000000000, 0.0004053400000000 ] - [ -0.0000119400000000, -0.0000069000000000, 0.0004053400000000 ] - [ -0.0000003800000000, -0.0000002200000000, -0.0003341100000000 ] - [ 0.0000003800000000, -0.0000002200000000, -0.0003341100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003237400000000 ] - [ 0.0000000000000000, 0.0000004400000000, -0.0003341100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0375210700000000 ] - [ 0.0000000000000000, 0.0001371600000000, 0.0022064200000000 ] - [ -0.0001187900000000, -0.0000685800000000, 0.0022064200000000 ] - [ 0.0001187900000000, -0.0000685800000000, 0.0022064200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003589700000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0003595000000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0003595000000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0003595000000000 ] - [ 0.0000002000000000, 0.0000001100000000, -0.0007303000000000 ] - [ -0.0000002000000000, 0.0000001100000000, -0.0007303000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007294900000000 ] - [ 0.0000000000000000, -0.0000002300000000, -0.0007303000000000 ] - [ 0.0000000000000000, -0.0000010000000000, 0.0003508800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000383300000000 ] - [ -0.0000008600000000, 0.0000005000000000, 0.0003508800000000 ] - [ 0.0000008600000000, 0.0000005000000000, 0.0003508800000000 ] - [ -0.0004765500000000, -0.0002751300000000, -0.0006611400000000 ] - [ 0.0004765500000000, -0.0002751300000000, -0.0006611400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000609800000000 ] - [ 0.0000000000000000, 0.0005502700000000, -0.0006611400000000 ] - [ -0.0000002200000000, -0.0000001300000000, -0.0004441300000000 ] - [ 0.0000002200000000, -0.0000001300000000, -0.0004441300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004436500000000 ] - [ 0.0000000000000000, 0.0000002500000000, -0.0004441300000000 ]- atom: 77 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000001600000000, 0.0000000200000000, 0.0002046400000000 ] - [ -0.0000005000000000, 0.0000000100000000, 0.0002046300000000 ] - [ -0.0000007900000000, -0.0000001600000000, 0.0002046400000000 ] - [ -0.0000008100000000, 0.0000001900000000, 0.0002046200000000 ] - [ 0.0002279600000000, -0.0000132000000000, -0.0002761900000000 ] - [ -0.0009402900000000, -0.0000061700000000, -0.0002794100000000 ] - [ 0.0059666500000000, -0.0033379800000000, -0.0065787300000000 ] - [ 0.0057066600000000, 0.0031396200000000, 0.0057343600000000 ] - [ 0.0000065500000000, 0.0000001500000000, -0.0000410900000000 ] - [ 0.0000064700000000, -0.0000001000000000, -0.0000413300000000 ] - [ -0.0000209500000000, -0.0000160600000000, 0.0000082000000000 ] - [ -0.0000213300000000, 0.0000158100000000, -0.0000903200000000 ] - [ -0.0000245400000000, -0.0000003600000000, -0.0003045800000000 ] - [ -0.0002364700000000, -0.0000000200000000, -0.0003055500000000 ] - [ -0.0000053600000000, -0.0000114300000000, -0.0003030200000000 ] - [ -0.0000043900000000, 0.0000112700000000, -0.0003067800000000 ] - [ -0.0000001900000000, 0.0000000100000000, 0.0002399300000000 ] - [ -0.0000005700000000, -0.0000000100000000, 0.0002399400000000 ] - [ 0.0000000000000000, -0.0000001300000000, 0.0002402100000000 ] - [ -0.0000000300000000, 0.0000000700000000, 0.0002396400000000 ] - [ 0.0000009400000000, 0.0000017400000000, 0.0006921400000000 ] - [ 0.0000006600000000, -0.0000014900000000, 0.0006898900000000 ] - [ 0.0000000100000000, 0.0000000600000000, 0.0006913000000000 ] - [ -0.0000017200000000, -0.0000003600000000, 0.0006911100000000 ] - [ 0.0000011000000000, -0.0000000300000000, 0.0001263200000000 ] - [ -0.0000010500000000, -0.0000000300000000, 0.0001263300000000 ] - [ -0.0000001200000000, 0.0000007100000000, 0.0001269700000000 ] - [ -0.0000001300000000, -0.0000007100000000, 0.0001257000000000 ] - [ 0.0000000900000000, 0.0000000100000000, -0.0002641000000000 ] - [ -0.0000000500000000, 0.0000000200000000, -0.0002641000000000 ] - [ -0.0000003000000000, -0.0000001000000000, -0.0002640900000000 ] - [ -0.0000003100000000, 0.0000002000000000, -0.0002641200000000 ] - [ 0.0006084800000000, 0.0003515700000000, -0.0000962600000000 ] - [ 0.0006026900000000, -0.0003464400000000, -0.0012837400000000 ] - [ -0.0000150600000000, 0.0000000000000000, -0.0006975200000000 ] - [ 0.0000011200000000, 0.0000000800000000, -0.0006972200000000 ] - [ 0.0000024100000000, 0.0000001000000000, 0.0002323800000000 ] - [ -0.0000010000000000, 0.0000001000000000, 0.0002323700000000 ] - [ -0.0000004500000000, 0.0000004200000000, 0.0002333900000000 ] - [ -0.0000004400000000, -0.0000002200000000, 0.0002313600000000 ] - [ -0.0000002600000000, 0.0000003100000000, -0.0006199700000000 ] - [ -0.0000023100000000, 0.0000003100000000, -0.0006199900000000 ] - [ 0.0000021100000000, -0.0000010500000000, -0.0006207000000000 ] - [ 0.0000021200000000, 0.0000016900000000, -0.0006192000000000 ] - [ -0.0000002700000000, 0.0000003700000000, 0.0002747100000000 ] - [ -0.0000002700000000, 0.0000003000000000, 0.0002741200000000 ] - [ -0.0000000600000000, 0.0000003300000000, 0.0002744200000000 ] - [ -0.0000003200000000, 0.0000003300000000, 0.0002744100000000 ] - [ 0.0000005500000000, -0.0000001800000000, -0.0000499300000000 ] - [ 0.0000005600000000, 0.0000001200000000, -0.0000497400000000 ] - [ -0.0000000100000000, -0.0000000300000000, -0.0000498300000000 ] - [ 0.0000008200000000, -0.0000000300000000, -0.0000498300000000 ] - [ 0.0000303900000000, -0.0000000100000000, 0.0002903500000000 ] - [ 0.0000259300000000, -0.0000003600000000, 0.0002903500000000 ] - [ -0.0000492900000000, -0.0000429400000000, 0.0002485000000000 ] - [ -0.0000497400000000, 0.0000441800000000, 0.0003330400000000 ] - [ -0.0000069300000000, -0.0000001900000000, 0.0001827100000000 ] - [ 0.0001266200000000, -0.0000000600000000, 0.0001834000000000 ] - [ -0.0000160300000000, 0.0000050900000000, 0.0001957000000000 ] - [ -0.0000160700000000, -0.0000054400000000, 0.0001703800000000 ] - [ 0.0000029900000000, -0.0000003100000000, -0.0002995800000000 ] - [ -0.0000007400000000, -0.0000003100000000, -0.0002995800000000 ] - [ 0.0000000400000000, 0.0000001400000000, -0.0002996200000000 ] - [ 0.0000000400000000, -0.0000007600000000, -0.0002995700000000 ] - [ 0.0000001300000000, -0.0000002500000000, 0.0003925700000000 ] - [ 0.0000000100000000, -0.0000002500000000, 0.0003925700000000 ] - [ 0.0000002300000000, -0.0000003000000000, 0.0003925600000000 ] - [ 0.0000002400000000, -0.0000001800000000, 0.0003925800000000 ] - [ 0.0000001300000000, 0.0000002700000000, -0.0002524600000000 ] - [ 0.0000001300000000, -0.0000004600000000, -0.0002503600000000 ] - [ 0.0000008400000000, -0.0000001000000000, -0.0002514100000000 ] - [ -0.0000005000000000, -0.0000001000000000, -0.0002514100000000 ] - [ -0.0000001100000000, 0.0000000600000000, 0.0004360000000000 ] - [ -0.0000006700000000, 0.0000000600000000, 0.0004360000000000 ] - [ 0.0000005100000000, 0.0000007400000000, 0.0004359700000000 ] - [ 0.0000005100000000, -0.0000006200000000, 0.0004360200000000 ] - [ -0.0273508000000000, 0.0001856700000000, 0.0007027500000000 ] - [ 0.0106423900000000, 0.0000054700000000, 0.0004380700000000 ] - [ 0.0019908600000000, -0.0050034800000000, 0.0005538000000000 ] - [ 0.0019808200000000, 0.0049914900000000, 0.0003136200000000 ] - [ 0.0018022000000000, 0.0022311000000000, -0.0041659200000000 ] - [ 0.0018068100000000, -0.0022085800000000, 0.0028379800000000 ] - [ -0.0007388100000000, 0.0000048900000000, -0.0006489300000000 ] - [ -0.0020403000000000, 0.0000056700000000, -0.0006447100000000 ] - [ 0.0000000900000000, -0.0000002800000000, 0.0003365400000000 ] - [ -0.0000001500000000, -0.0000002800000000, 0.0003365400000000 ] - [ 0.0000002300000000, -0.0000003600000000, 0.0003365900000000 ] - [ 0.0000002400000000, -0.0000001900000000, 0.0003365000000000 ] - [ 0.0000000300000000, 0.0000000700000000, -0.0000149700000000 ] - [ 0.0000000400000000, 0.0000003000000000, -0.0000152500000000 ] - [ -0.0000005400000000, 0.0000002000000000, -0.0000151000000000 ] - [ 0.0000002300000000, 0.0000002000000000, -0.0000151100000000 ] - [ 0.0000083000000000, 0.0000303800000000, -0.0003324100000000 ] - [ 0.0000081300000000, -0.0000302200000000, -0.0003963400000000 ] - [ 0.0000280500000000, 0.0000002400000000, -0.0003644100000000 ] - [ -0.0000442600000000, 0.0000001700000000, -0.0003643400000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000467400000000 ] - [ 0.0000000000000000, -0.0000001000000000, 0.0000467000000000 ] - [ 0.0000000800000000, 0.0000000500000000, 0.0000467000000000 ] - [ -0.0000000800000000, 0.0000000500000000, 0.0000467000000000 ] - [ 0.0000000000000000, -0.0090248800000000, 0.0086694900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026252000000000 ] - [ -0.0078157800000000, 0.0045124400000000, 0.0086694900000000 ] - [ 0.0078157800000000, 0.0045124400000000, 0.0086694900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000769600000000 ] - [ 0.0000000000000000, -0.0001833400000000, -0.0002445500000000 ] - [ 0.0001587700000000, 0.0000916700000000, -0.0002445500000000 ] - [ -0.0001587700000000, 0.0000916700000000, -0.0002445500000000 ] - [ 0.0000000000000000, -0.0000538800000000, -0.0003170400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006542500000000 ] - [ -0.0000466700000000, 0.0000269400000000, -0.0003170400000000 ] - [ 0.0000466700000000, 0.0000269400000000, -0.0003170400000000 ] - [ 0.0000000000000000, 0.0000003400000000, 0.0000826800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000828900000000 ] - [ 0.0000002900000000, -0.0000001700000000, 0.0000826800000000 ] - [ -0.0000002900000000, -0.0000001700000000, 0.0000826800000000 ] - [ -0.0000050600000000, -0.0000029200000000, 0.0005355200000000 ] - [ 0.0000050600000000, -0.0000029200000000, 0.0005355200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005358800000000 ] - [ 0.0000000000000000, 0.0000058400000000, 0.0005355200000000 ] - [ 0.0000000000000000, 0.0000046900000000, -0.0000320600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000280200000000 ] - [ 0.0000040600000000, -0.0000023400000000, -0.0000320600000000 ] - [ -0.0000040600000000, -0.0000023400000000, -0.0000320600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004224700000000 ] - [ 0.0000000000000000, 0.0000002200000000, -0.0004225500000000 ] - [ -0.0000001900000000, -0.0000001100000000, -0.0004225500000000 ] - [ 0.0000001900000000, -0.0000001100000000, -0.0004225500000000 ] - [ 0.0006036200000000, 0.0003485000000000, -0.0000260500000000 ] - [ -0.0006036200000000, 0.0003485000000000, -0.0000260500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007805200000000 ] - [ 0.0000000000000000, -0.0006970000000000, -0.0000260500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003203900000000 ] - [ 0.0000000000000000, -0.0000002400000000, 0.0003098300000000 ] - [ 0.0000002100000000, 0.0000001200000000, 0.0003098300000000 ] - [ -0.0000002100000000, 0.0000001200000000, 0.0003098300000000 ] - [ 0.0000000000000000, -0.0000031000000000, -0.0005420300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005524700000000 ] - [ -0.0000026800000000, 0.0000015500000000, -0.0005420300000000 ] - [ 0.0000026800000000, 0.0000015500000000, -0.0005420300000000 ] - [ 0.0000002700000000, 0.0000001600000000, 0.0003524900000000 ] - [ -0.0000002700000000, 0.0000001600000000, 0.0003524900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003517500000000 ] - [ 0.0000000000000000, -0.0000003200000000, 0.0003524900000000 ] - [ -0.0000002100000000, -0.0000001200000000, 0.0000270800000000 ] - [ 0.0000002100000000, -0.0000001200000000, 0.0000270800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000265000000000 ] - [ 0.0000000000000000, 0.0000002400000000, 0.0000270800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002811900000000 ] - [ 0.0000000000000000, -0.0001928000000000, 0.0004155200000000 ] - [ 0.0001669700000000, 0.0000964000000000, 0.0004155200000000 ] - [ -0.0001669700000000, 0.0000964000000000, 0.0004155200000000 ] - [ 0.0000000000000000, 0.0000008200000000, 0.0001755800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005632000000000 ] - [ 0.0000007100000000, -0.0000004100000000, 0.0001755800000000 ] - [ -0.0000007100000000, -0.0000004100000000, 0.0001755800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002125500000000 ] - [ 0.0000000000000000, -0.0000003500000000, -0.0002202900000000 ] - [ 0.0000003000000000, 0.0000001700000000, -0.0002202900000000 ] - [ -0.0000003000000000, 0.0000001700000000, -0.0002202900000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0004724200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004719800000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0004724200000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0004724200000000 ] - [ -0.0000016800000000, -0.0000009700000000, -0.0001740900000000 ] - [ 0.0000016800000000, -0.0000009700000000, -0.0001740900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001761000000000 ] - [ 0.0000000000000000, 0.0000019400000000, -0.0001740900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005156700000000 ] - [ 0.0000000000000000, 0.0000000900000000, 0.0005154100000000 ] - [ -0.0000000800000000, -0.0000000500000000, 0.0005154100000000 ] - [ 0.0000000800000000, -0.0000000500000000, 0.0005154100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0361801100000000 ] - [ 0.0000000000000000, -0.0001422400000000, -0.0013238400000000 ] - [ 0.0001231900000000, 0.0000711200000000, -0.0013238400000000 ] - [ -0.0001231900000000, 0.0000711200000000, -0.0013238400000000 ] - [ -0.0034499600000000, -0.0019918400000000, 0.0030769000000000 ] - [ 0.0034499600000000, -0.0019918400000000, 0.0030769000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016266700000000 ] - [ 0.0000000000000000, 0.0039836700000000, 0.0030769000000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0004158700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004152800000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0004158700000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0004158700000000 ] - [ 0.0000001200000000, 0.0000000700000000, 0.0000622500000000 ] - [ -0.0000001200000000, 0.0000000700000000, 0.0000622500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000615100000000 ] - [ 0.0000000000000000, -0.0000001300000000, 0.0000622500000000 ] - [ 0.0000644600000000, 0.0000372200000000, -0.0002736900000000 ] - [ -0.0000644600000000, 0.0000372200000000, -0.0002736900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003327400000000 ] - [ 0.0000000000000000, -0.0000744300000000, -0.0002736900000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003594900000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0003592700000000 ] - [ -0.0000001000000000, -0.0000000600000000, 0.0003592700000000 ] - [ 0.0000001000000000, -0.0000000600000000, 0.0003592700000000 ] - [ 0.0000000000000000, 0.0093026700000000, -0.0093320400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0032026000000000 ] - [ 0.0080563500000000, -0.0046513400000000, -0.0093320400000000 ] - [ -0.0080563500000000, -0.0046513400000000, -0.0093320400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000091400000000 ] - [ 0.0000000000000000, 0.0001844400000000, 0.0001598200000000 ] - [ -0.0001597300000000, -0.0000922200000000, 0.0001598200000000 ] - [ 0.0001597300000000, -0.0000922200000000, 0.0001598200000000 ] - [ 0.0000000000000000, 0.0000522700000000, -0.0002868600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000419500000000 ] - [ 0.0000452700000000, -0.0000261300000000, -0.0002868600000000 ] - [ -0.0000452700000000, -0.0000261300000000, -0.0002868600000000 ] - [ 0.0000000000000000, -0.0000003200000000, 0.0003950200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003949800000000 ] - [ -0.0000002700000000, 0.0000001600000000, 0.0003950200000000 ] - [ 0.0000002700000000, 0.0000001600000000, 0.0003950200000000 ] - [ 0.0000051700000000, 0.0000029900000000, 0.0008498000000000 ] - [ -0.0000051700000000, 0.0000029900000000, 0.0008498000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008499100000000 ] - [ 0.0000000000000000, -0.0000059700000000, 0.0008498000000000 ] - [ 0.0000000000000000, -0.0000045600000000, 0.0002822100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002781100000000 ] - [ -0.0000039500000000, 0.0000022800000000, 0.0002822100000000 ] - [ 0.0000039500000000, 0.0000022800000000, 0.0002822100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001073200000000 ] - [ 0.0000000000000000, -0.0000001100000000, -0.0001074300000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0001074300000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0001074300000000 ] - [ -0.0005842400000000, -0.0003373100000000, -0.0013515800000000 ] - [ 0.0005842400000000, -0.0003373100000000, -0.0013515800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006221800000000 ] - [ 0.0000000000000000, 0.0006746200000000, -0.0013515800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001507300000000 ] - [ 0.0000000000000000, 0.0000002600000000, 0.0001613300000000 ] - [ -0.0000002200000000, -0.0000001300000000, 0.0001613300000000 ] - [ 0.0000002200000000, -0.0000001300000000, 0.0001613300000000 ] - [ 0.0000000000000000, 0.0000031300000000, -0.0007027500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006924100000000 ] - [ 0.0000027100000000, -0.0000015600000000, -0.0007027500000000 ] - [ -0.0000027100000000, -0.0000015600000000, -0.0007027500000000 ] - [ -0.0000002000000000, -0.0000001200000000, 0.0001925900000000 ] - [ 0.0000002000000000, -0.0000001200000000, 0.0001925900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001931000000000 ] - [ 0.0000000000000000, 0.0000002300000000, 0.0001925900000000 ] - [ 0.0000001900000000, 0.0000001100000000, -0.0001316500000000 ] - [ -0.0000001900000000, 0.0000001100000000, -0.0001316500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001308300000000 ] - [ 0.0000000000000000, -0.0000002200000000, -0.0001316500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003028700000000 ] - [ 0.0000000000000000, 0.0001877500000000, 0.0001721400000000 ] - [ -0.0001626000000000, -0.0000938700000000, 0.0001721400000000 ] - [ 0.0001626000000000, -0.0000938700000000, 0.0001721400000000 ] - [ 0.0000000000000000, -0.0000009800000000, 0.0001970900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001918100000000 ] - [ -0.0000008500000000, 0.0000004900000000, 0.0001970900000000 ] - [ 0.0000008500000000, 0.0000004900000000, 0.0001970900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003819600000000 ] - [ 0.0000000000000000, 0.0000003400000000, -0.0003742300000000 ] - [ -0.0000002900000000, -0.0000001700000000, -0.0003742300000000 ] - [ 0.0000002900000000, -0.0000001700000000, -0.0003742300000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0003193700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003199000000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0003193700000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0003193700000000 ] - [ 0.0000017200000000, 0.0000010000000000, -0.0003333400000000 ] - [ -0.0000017200000000, 0.0000010000000000, -0.0003333400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003310500000000 ] - [ 0.0000000000000000, -0.0000019900000000, -0.0003333400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003620000000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0003626500000000 ] - [ -0.0000000100000000, 0.0000000000000000, 0.0003626500000000 ] - [ 0.0000000100000000, 0.0000000000000000, 0.0003626500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0374845700000000 ] - [ 0.0000000000000000, 0.0001354100000000, 0.0021880500000000 ] - [ -0.0001172700000000, -0.0000677100000000, 0.0021880500000000 ] - [ 0.0001172700000000, -0.0000677100000000, 0.0021880500000000 ] - [ 0.0035012100000000, 0.0020214200000000, -0.0044461100000000 ] - [ -0.0035012100000000, 0.0020214200000000, -0.0044461100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003220200000000 ] - [ 0.0000000000000000, -0.0040428500000000, -0.0044461100000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0002628000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002636200000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0002628000000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0002628000000000 ] - [ -0.0000001000000000, -0.0000000600000000, -0.0000965000000000 ] - [ 0.0000001000000000, -0.0000000600000000, -0.0000965000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000959300000000 ] - [ 0.0000000000000000, 0.0000001200000000, -0.0000965000000000 ] - [ -0.0000648100000000, -0.0000374200000000, -0.0004591000000000 ] - [ 0.0000648100000000, -0.0000374200000000, -0.0004591000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003997200000000 ] - [ 0.0000000000000000, 0.0000748400000000, -0.0004591000000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001300000000, -0.0000000700000000, 0.0002050800000000 ] - [ -0.0000001400000000, 0.0000000900000000, 0.0002053700000000 ] - [ 0.0000001600000000, 0.0000000200000000, 0.0002052300000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0002052200000000 ] - [ 0.0056112400000000, -0.0030931600000000, -0.0062011100000000 ] - [ 0.0058733900000000, 0.0032912600000000, 0.0059068600000000 ] - [ 0.0002143000000000, 0.0000151000000000, -0.0002934600000000 ] - [ -0.0009393700000000, 0.0000064600000000, -0.0002895200000000 ] - [ 0.0000033000000000, 0.0000310400000000, -0.0000278400000000 ] - [ 0.0000049400000000, -0.0000299500000000, -0.0000541500000000 ] - [ -0.0001483100000000, -0.0000028200000000, -0.0000408700000000 ] - [ -0.0000486900000000, -0.0000000900000000, -0.0000401400000000 ] - [ -0.0000118000000000, 0.0000894400000000, -0.0003983700000000 ] - [ -0.0000120300000000, -0.0000893500000000, -0.0002116000000000 ] - [ 0.0001429300000000, 0.0000000200000000, -0.0003048700000000 ] - [ -0.0001114500000000, -0.0000001300000000, -0.0003049300000000 ] - [ 0.0000000000000000, -0.0000001100000000, 0.0002407900000000 ] - [ -0.0000000300000000, 0.0000001100000000, 0.0002401900000000 ] - [ -0.0000002100000000, -0.0000000200000000, 0.0002404700000000 ] - [ -0.0000005600000000, -0.0000000400000000, 0.0002404800000000 ] - [ 0.0000040000000000, 0.0000000400000000, 0.0006918800000000 ] - [ -0.0000037400000000, 0.0000000500000000, 0.0006918700000000 ] - [ -0.0000002100000000, 0.0000020900000000, 0.0006933900000000 ] - [ -0.0000002100000000, -0.0000019700000000, 0.0006903600000000 ] - [ 0.0000010300000000, -0.0000009600000000, 0.0001276700000000 ] - [ 0.0000013700000000, 0.0000010200000000, 0.0001266600000000 ] - [ -0.0000002400000000, -0.0000004200000000, 0.0001271000000000 ] - [ -0.0000006300000000, 0.0000000200000000, 0.0001268800000000 ] - [ 0.0000000300000000, -0.0000001300000000, -0.0002635700000000 ] - [ 0.0000000300000000, 0.0000001600000000, -0.0002634000000000 ] - [ 0.0000005100000000, 0.0000000400000000, -0.0002634900000000 ] - [ 0.0000002800000000, 0.0000000500000000, -0.0002634900000000 ] - [ 0.0000309500000000, -0.0000002600000000, -0.0006968200000000 ] - [ 0.0000268300000000, -0.0000004200000000, -0.0006971700000000 ] - [ -0.0000490700000000, -0.0000442900000000, -0.0005314800000000 ] - [ -0.0000493100000000, 0.0000435000000000, -0.0008623300000000 ] - [ 0.0000006700000000, 0.0000011000000000, 0.0002326200000000 ] - [ 0.0000006600000000, -0.0000008900000000, 0.0002316800000000 ] - [ -0.0000031200000000, 0.0000000900000000, 0.0002321600000000 ] - [ -0.0000010500000000, 0.0000001100000000, 0.0002322200000000 ] - [ -0.0000007200000000, 0.0000009700000000, -0.0006248000000000 ] - [ -0.0000007200000000, -0.0000003600000000, -0.0006156300000000 ] - [ 0.0000004400000000, 0.0000003100000000, -0.0006202100000000 ] - [ -0.0000010800000000, 0.0000003100000000, -0.0006202100000000 ] - [ 0.0000001200000000, 0.0000003300000000, 0.0002741600000000 ] - [ -0.0000001600000000, 0.0000003400000000, 0.0002741500000000 ] - [ -0.0000002400000000, 0.0000002900000000, 0.0002743000000000 ] - [ -0.0000002400000000, 0.0000003700000000, 0.0002740200000000 ] - [ 0.0000004500000000, -0.0000000400000000, -0.0000500700000000 ] - [ -0.0000001100000000, -0.0000000400000000, -0.0000500700000000 ] - [ 0.0000010700000000, 0.0000006500000000, -0.0000500300000000 ] - [ 0.0000010700000000, -0.0000007200000000, -0.0000500900000000 ] - [ 0.0000059600000000, -0.0000363000000000, 0.0002768200000000 ] - [ 0.0000059100000000, 0.0000365100000000, 0.0003035000000000 ] - [ -0.0000889900000000, 0.0000002000000000, 0.0002902000000000 ] - [ 0.0000689800000000, 0.0000001600000000, 0.0002902900000000 ] - [ 0.0004659700000000, -0.0002766300000000, 0.0006624500000000 ] - [ 0.0004720700000000, 0.0002822200000000, -0.0003089200000000 ] - [ -0.0000149400000000, 0.0000035000000000, 0.0001866200000000 ] - [ -0.0000216700000000, -0.0000001600000000, 0.0001831200000000 ] - [ 0.0000001400000000, 0.0000004600000000, -0.0003012100000000 ] - [ 0.0000001400000000, -0.0000010900000000, -0.0002984100000000 ] - [ 0.0000015300000000, -0.0000003000000000, -0.0002998100000000 ] - [ -0.0000012000000000, -0.0000003100000000, -0.0002998100000000 ] - [ 0.0000001200000000, -0.0000002900000000, 0.0003926000000000 ] - [ 0.0000001200000000, -0.0000002000000000, 0.0003921100000000 ] - [ 0.0000000500000000, -0.0000002400000000, 0.0003923500000000 ] - [ 0.0000003100000000, -0.0000002400000000, 0.0003923600000000 ] - [ 0.0000025400000000, -0.0000000800000000, -0.0002516500000000 ] - [ -0.0000002600000000, -0.0000001000000000, -0.0002516700000000 ] - [ 0.0000001800000000, 0.0000001400000000, -0.0002518200000000 ] - [ 0.0000001600000000, -0.0000003600000000, -0.0002514800000000 ] - [ 0.0000000300000000, -0.0000001200000000, 0.0004357100000000 ] - [ 0.0000000200000000, 0.0000002400000000, 0.0004358700000000 ] - [ -0.0000004900000000, 0.0000000500000000, 0.0004357900000000 ] - [ 0.0000003400000000, 0.0000000600000000, 0.0004357900000000 ] - [ 0.0018056300000000, 0.0022089100000000, -0.0030274100000000 ] - [ 0.0018026300000000, -0.0022307800000000, 0.0039232100000000 ] - [ -0.0007391600000000, -0.0000044800000000, 0.0004325500000000 ] - [ -0.0020406800000000, -0.0000064400000000, 0.0004275600000000 ] - [ -0.0269215400000000, -0.0002000500000000, -0.0009199700000000 ] - [ 0.0107500400000000, -0.0000056700000000, -0.0006537800000000 ] - [ 0.0019860200000000, -0.0050507300000000, -0.0004890500000000 ] - [ 0.0019959000000000, 0.0050626000000000, -0.0008103400000000 ] - [ 0.0000005100000000, -0.0000002600000000, 0.0003364800000000 ] - [ 0.0000005000000000, -0.0000003100000000, 0.0003361900000000 ] - [ 0.0000005500000000, -0.0000002800000000, 0.0003363400000000 ] - [ -0.0000001700000000, -0.0000002800000000, 0.0003363400000000 ] - [ 0.0000000700000000, 0.0000001900000000, -0.0000153500000000 ] - [ -0.0000002800000000, 0.0000001800000000, -0.0000153500000000 ] - [ -0.0000002500000000, 0.0000002100000000, -0.0000153300000000 ] - [ -0.0000002600000000, 0.0000001800000000, -0.0000153500000000 ] - [ 0.0000273000000000, -0.0000001500000000, -0.0003643400000000 ] - [ -0.0000062700000000, -0.0000005200000000, -0.0003651300000000 ] - [ -0.0000473900000000, -0.0000227800000000, -0.0003334100000000 ] - [ -0.0000463400000000, 0.0000241000000000, -0.0003957400000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000001900000000, -0.0000001100000000, 0.0000477500000000 ] - [ 0.0000001900000000, -0.0000001100000000, 0.0000477500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000483800000000 ] - [ 0.0000000000000000, 0.0000002200000000, 0.0000477500000000 ] - [ -0.0080317500000000, 0.0046371300000000, 0.0087410500000000 ] - [ 0.0080317500000000, 0.0046371300000000, 0.0087410500000000 ] - [ 0.0000000000000000, -0.0092742700000000, 0.0087410500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026331900000000 ] - [ -0.0000350600000000, -0.0000202400000000, -0.0000519800000000 ] - [ 0.0000350600000000, -0.0000202400000000, -0.0000519800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003916700000000 ] - [ 0.0000000000000000, 0.0000404800000000, -0.0000519800000000 ] - [ -0.0000612300000000, 0.0000353500000000, -0.0004670100000000 ] - [ 0.0000612300000000, 0.0000353500000000, -0.0004670100000000 ] - [ 0.0000000000000000, -0.0000707000000000, -0.0004670100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004429400000000 ] - [ 0.0000003000000000, -0.0000001700000000, 0.0000837100000000 ] - [ -0.0000003000000000, -0.0000001700000000, 0.0000837100000000 ] - [ 0.0000000000000000, 0.0000003400000000, 0.0000837100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000837300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005345800000000 ] - [ 0.0000000000000000, 0.0000005300000000, 0.0005369100000000 ] - [ -0.0000004600000000, -0.0000002700000000, 0.0005369100000000 ] - [ 0.0000004600000000, -0.0000002700000000, 0.0005369100000000 ] - [ -0.0000052100000000, 0.0000030100000000, -0.0000292700000000 ] - [ 0.0000052100000000, 0.0000030100000000, -0.0000292700000000 ] - [ 0.0000000000000000, -0.0000060200000000, -0.0000292700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000294700000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0004216000000000 ] - [ 0.0000001200000000, -0.0000000700000000, -0.0004216000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004210900000000 ] - [ 0.0000000000000000, 0.0000001400000000, -0.0004216000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007101100000000 ] - [ 0.0000000000000000, 0.0000493200000000, -0.0005770200000000 ] - [ -0.0000427100000000, -0.0000246600000000, -0.0005770200000000 ] - [ 0.0000427100000000, -0.0000246600000000, -0.0005770200000000 ] - [ -0.0000025000000000, -0.0000014400000000, 0.0003147400000000 ] - [ 0.0000025000000000, -0.0000014400000000, 0.0003147400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003044500000000 ] - [ 0.0000000000000000, 0.0000028900000000, 0.0003147400000000 ] - [ 0.0000004300000000, -0.0000002500000000, -0.0005453300000000 ] - [ -0.0000004300000000, -0.0000002500000000, -0.0005453300000000 ] - [ 0.0000000000000000, 0.0000005000000000, -0.0005453300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005463500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003511100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003513800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003513800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003513800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000257400000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0000253700000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0000253700000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0000253700000000 ] - [ -0.0000134900000000, -0.0000077900000000, 0.0003518600000000 ] - [ 0.0000134900000000, -0.0000077900000000, 0.0003518600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004252800000000 ] - [ 0.0000000000000000, 0.0000155800000000, 0.0003518600000000 ] - [ 0.0006179500000000, -0.0003567700000000, 0.0008286700000000 ] - [ -0.0006179500000000, -0.0003567700000000, 0.0008286700000000 ] - [ 0.0000000000000000, 0.0007135500000000, 0.0008286700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001064600000000 ] - [ -0.0000010500000000, -0.0000006100000000, -0.0002185100000000 ] - [ 0.0000010500000000, -0.0000006100000000, -0.0002185100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002197600000000 ] - [ 0.0000000000000000, 0.0000012200000000, -0.0002185100000000 ] - [ 0.0000002800000000, -0.0000001600000000, 0.0004726300000000 ] - [ -0.0000002800000000, -0.0000001600000000, 0.0004726300000000 ] - [ 0.0000000000000000, 0.0000003200000000, 0.0004726300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004720100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001694200000000 ] - [ 0.0000000000000000, 0.0000002800000000, -0.0001771600000000 ] - [ -0.0000002400000000, -0.0000001400000000, -0.0001771600000000 ] - [ 0.0000002400000000, -0.0000001400000000, -0.0001771600000000 ] - [ -0.0000001700000000, -0.0000001000000000, 0.0005159400000000 ] - [ 0.0000001700000000, -0.0000001000000000, 0.0005159400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005153700000000 ] - [ 0.0000000000000000, 0.0000001900000000, 0.0005159400000000 ] - [ -0.0035281500000000, -0.0020369800000000, 0.0042284200000000 ] - [ 0.0035281500000000, -0.0020369800000000, 0.0042284200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005391700000000 ] - [ 0.0000000000000000, 0.0040739500000000, 0.0042284200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0378028100000000 ] - [ 0.0000000000000000, -0.0001817900000000, -0.0023556900000000 ] - [ 0.0001574300000000, 0.0000908900000000, -0.0023556900000000 ] - [ -0.0001574300000000, 0.0000908900000000, -0.0023556900000000 ] - [ 0.0000001200000000, -0.0000000700000000, 0.0004160900000000 ] - [ -0.0000001200000000, -0.0000000700000000, 0.0004160900000000 ] - [ 0.0000000000000000, 0.0000001300000000, 0.0004160900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004157100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000610300000000 ] - [ 0.0000000000000000, 0.0000001000000000, 0.0000610700000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0000610700000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0000610700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003791900000000 ] - [ 0.0000000000000000, 0.0001921000000000, -0.0002403900000000 ] - [ -0.0001663600000000, -0.0000960500000000, -0.0002403900000000 ] - [ 0.0001663600000000, -0.0000960500000000, -0.0002403900000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000002100000000, 0.0000001200000000, 0.0003625300000000 ] - [ -0.0000002100000000, 0.0000001200000000, 0.0003625300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003618900000000 ] - [ 0.0000000000000000, -0.0000002500000000, 0.0003625300000000 ] - [ 0.0077914500000000, -0.0044984000000000, -0.0092185300000000 ] - [ -0.0077914500000000, -0.0044984000000000, -0.0092185300000000 ] - [ 0.0000000000000000, 0.0089967900000000, -0.0092185300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031956800000000 ] - [ 0.0000367000000000, 0.0000211900000000, -0.0000327100000000 ] - [ -0.0000367000000000, 0.0000211900000000, -0.0000327100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003160000000000 ] - [ 0.0000000000000000, -0.0000423800000000, -0.0000327100000000 ] - [ 0.0000606900000000, -0.0000350400000000, -0.0001394100000000 ] - [ -0.0000606900000000, -0.0000350400000000, -0.0001394100000000 ] - [ 0.0000000000000000, 0.0000700800000000, -0.0001394100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001635600000000 ] - [ -0.0000003100000000, 0.0000001800000000, 0.0003977700000000 ] - [ 0.0000003100000000, 0.0000001800000000, 0.0003977700000000 ] - [ 0.0000000000000000, -0.0000003600000000, 0.0003977700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003976100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008521200000000 ] - [ 0.0000000000000000, -0.0000004400000000, 0.0008499500000000 ] - [ 0.0000003800000000, 0.0000002200000000, 0.0008499500000000 ] - [ -0.0000003800000000, 0.0000002200000000, 0.0008499500000000 ] - [ 0.0000050500000000, -0.0000029100000000, 0.0002839300000000 ] - [ -0.0000050500000000, -0.0000029100000000, 0.0002839300000000 ] - [ 0.0000000000000000, 0.0000058300000000, 0.0002839300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002835600000000 ] - [ 0.0000001100000000, 0.0000000600000000, -0.0001047600000000 ] - [ -0.0000001100000000, 0.0000000600000000, -0.0001047600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001053200000000 ] - [ 0.0000000000000000, -0.0000001200000000, -0.0001047600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006881200000000 ] - [ 0.0000000000000000, -0.0000492600000000, -0.0008206600000000 ] - [ 0.0000426600000000, 0.0000246300000000, -0.0008206600000000 ] - [ -0.0000426600000000, 0.0000246300000000, -0.0008206600000000 ] - [ 0.0000025400000000, 0.0000014700000000, 0.0001524000000000 ] - [ -0.0000025400000000, 0.0000014700000000, 0.0001524000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001629900000000 ] - [ 0.0000000000000000, -0.0000029300000000, 0.0001524000000000 ] - [ -0.0000004200000000, 0.0000002400000000, -0.0006989000000000 ] - [ 0.0000004200000000, 0.0000002400000000, -0.0006989000000000 ] - [ 0.0000000000000000, -0.0000004900000000, -0.0006989000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006978400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001937300000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0001935100000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0001935100000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0001935100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001298100000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0001293200000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0001293200000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0001293200000000 ] - [ 0.0000134300000000, 0.0000077500000000, 0.0002307500000000 ] - [ -0.0000134300000000, 0.0000077500000000, 0.0002307500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001577900000000 ] - [ 0.0000000000000000, -0.0000155000000000, 0.0002307500000000 ] - [ -0.0006379600000000, 0.0003683300000000, -0.0004823200000000 ] - [ 0.0006379600000000, 0.0003683300000000, -0.0004823200000000 ] - [ 0.0000000000000000, -0.0007366500000000, -0.0004823200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002662100000000 ] - [ 0.0000010300000000, 0.0000005900000000, -0.0003789800000000 ] - [ -0.0000010300000000, 0.0000005900000000, -0.0003789800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003777800000000 ] - [ 0.0000000000000000, -0.0000011900000000, -0.0003789800000000 ] - [ -0.0000002800000000, 0.0000001600000000, 0.0003150300000000 ] - [ 0.0000002800000000, 0.0000001600000000, 0.0003150300000000 ] - [ 0.0000000000000000, -0.0000003200000000, 0.0003150300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003156000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003377600000000 ] - [ 0.0000000000000000, -0.0000003000000000, -0.0003297600000000 ] - [ 0.0000002600000000, 0.0000001500000000, -0.0003297600000000 ] - [ -0.0000002600000000, 0.0000001500000000, -0.0003297600000000 ] - [ 0.0000002100000000, 0.0000001200000000, 0.0003582400000000 ] - [ -0.0000002100000000, 0.0000001200000000, 0.0003582400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003589500000000 ] - [ 0.0000000000000000, -0.0000002400000000, 0.0003582400000000 ] - [ 0.0034762500000000, 0.0020070100000000, -0.0032937100000000 ] - [ -0.0034762500000000, 0.0020070100000000, -0.0032937100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014095600000000 ] - [ 0.0000000000000000, -0.0040140200000000, -0.0032937100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0360672900000000 ] - [ 0.0000000000000000, 0.0001893600000000, 0.0010606800000000 ] - [ -0.0001639900000000, -0.0000946800000000, 0.0010606800000000 ] - [ 0.0001639900000000, -0.0000946800000000, 0.0010606800000000 ] - [ -0.0000000800000000, 0.0000000500000000, 0.0002592300000000 ] - [ 0.0000000800000000, 0.0000000500000000, 0.0002592300000000 ] - [ 0.0000000000000000, -0.0000000900000000, 0.0002592300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002597800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000950300000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0000951700000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0000951700000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0000951700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003509100000000 ] - [ 0.0000000000000000, -0.0001972900000000, -0.0004935600000000 ] - [ 0.0001708600000000, 0.0000986500000000, -0.0004935600000000 ] - [ -0.0001708600000000, 0.0000986500000000, -0.0004935600000000 ]- atom: 85 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000014800000000, -0.0000003900000000, 0.0002044900000000 ] - [ 0.0000008000000000, 0.0000000300000000, 0.0002046800000000 ] - [ 0.0000010000000000, -0.0000015900000000, 0.0002038000000000 ] - [ 0.0000012700000000, 0.0000017400000000, 0.0002050000000000 ] - [ 0.0000002600000000, -0.0000000300000000, -0.0002847000000000 ] - [ -0.0000004000000000, 0.0000000000000000, -0.0002847200000000 ] - [ -0.0000007100000000, -0.0000001500000000, -0.0002847200000000 ] - [ -0.0000006700000000, 0.0000001800000000, -0.0002846800000000 ] - [ -0.0000002300000000, -0.0000000100000000, -0.0000410700000000 ] - [ -0.0000006100000000, -0.0000000100000000, -0.0000410800000000 ] - [ -0.0000000400000000, -0.0000001100000000, -0.0000413800000000 ] - [ -0.0000000400000000, 0.0000000900000000, -0.0000407500000000 ] - [ 0.0000033100000000, -0.0000000700000000, -0.0003054800000000 ] - [ -0.0000028900000000, -0.0000000500000000, -0.0003054900000000 ] - [ -0.0000000300000000, 0.0000015800000000, -0.0003066200000000 ] - [ 0.0000000000000000, -0.0000017400000000, -0.0003043600000000 ] - [ -0.0000293700000000, 0.0000000500000000, 0.0002407400000000 ] - [ -0.0000831200000000, -0.0000007200000000, 0.0002409400000000 ] - [ 0.0000192800000000, 0.0000596100000000, 0.0002294300000000 ] - [ 0.0000177900000000, -0.0000577800000000, 0.0002509600000000 ] - [ -0.0000147100000000, 0.0000485200000000, 0.0007009800000000 ] - [ -0.0000142300000000, -0.0000486900000000, 0.0006817700000000 ] - [ 0.0000697200000000, 0.0000000400000000, 0.0006911600000000 ] - [ -0.0000603000000000, 0.0000002900000000, 0.0006913600000000 ] - [ 0.0000001900000000, -0.0000000400000000, 0.0001263300000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0001263300000000 ] - [ -0.0000002100000000, -0.0000001500000000, 0.0001263200000000 ] - [ -0.0000002000000000, 0.0000001400000000, 0.0001263600000000 ] - [ 0.0002347000000000, 0.0000132800000000, -0.0002555500000000 ] - [ -0.0009431800000000, 0.0000061900000000, -0.0002587300000000 ] - [ 0.0057098500000000, -0.0031375300000000, 0.0057604600000000 ] - [ 0.0059697900000000, 0.0033359400000000, -0.0065634800000000 ] - [ 0.0000001000000000, -0.0000005400000000, -0.0006981100000000 ] - [ 0.0000001000000000, 0.0000002000000000, -0.0006950400000000 ] - [ -0.0000005500000000, -0.0000001800000000, -0.0006965700000000 ] - [ 0.0000008900000000, -0.0000001700000000, -0.0006965700000000 ] - [ -0.0000003700000000, 0.0000000900000000, 0.0002324100000000 ] - [ -0.0000006000000000, 0.0000001000000000, 0.0002324200000000 ] - [ -0.0000002000000000, 0.0000000000000000, 0.0002323800000000 ] - [ -0.0000002100000000, 0.0000001900000000, 0.0002324500000000 ] - [ 0.0000036400000000, 0.0000003600000000, -0.0006199800000000 ] - [ -0.0000145400000000, 0.0000002700000000, -0.0006198300000000 ] - [ 0.0000088400000000, 0.0000137400000000, -0.0005711800000000 ] - [ 0.0000087300000000, -0.0000131900000000, -0.0006688400000000 ] - [ 0.0018073600000000, -0.0022421400000000, -0.0032525200000000 ] - [ 0.0018120900000000, 0.0022198400000000, 0.0037742100000000 ] - [ -0.0020543900000000, -0.0000055100000000, 0.0002802500000000 ] - [ -0.0007500300000000, -0.0000047000000000, 0.0002758700000000 ] - [ 0.0004736300000000, -0.0002839800000000, 0.0005878200000000 ] - [ 0.0004685300000000, 0.0002771700000000, -0.0006738100000000 ] - [ -0.0000148600000000, -0.0000003500000000, -0.0000503600000000 ] - [ -0.0000216600000000, -0.0000005500000000, -0.0000506100000000 ] - [ -0.0000001200000000, 0.0000001400000000, 0.0002904500000000 ] - [ -0.0000008300000000, 0.0000001400000000, 0.0002904600000000 ] - [ -0.0000006700000000, 0.0000004500000000, 0.0002931000000000 ] - [ -0.0000006700000000, -0.0000001800000000, 0.0002878100000000 ] - [ 0.0000004600000000, -0.0000002700000000, 0.0001830300000000 ] - [ -0.0000001100000000, -0.0000002700000000, 0.0001830200000000 ] - [ 0.0000010700000000, 0.0000004100000000, 0.0001830400000000 ] - [ 0.0000010700000000, -0.0000009400000000, 0.0001830100000000 ] - [ 0.0000032500000000, -0.0000002700000000, -0.0002997900000000 ] - [ 0.0000873400000000, -0.0000003500000000, -0.0002991200000000 ] - [ -0.0000047200000000, 0.0000042500000000, -0.0003103300000000 ] - [ -0.0000046600000000, -0.0000049200000000, -0.0002886700000000 ] - [ 0.0000030300000000, -0.0000002400000000, 0.0003926200000000 ] - [ -0.0000002700000000, -0.0000002400000000, 0.0003926100000000 ] - [ 0.0000002700000000, 0.0000000700000000, 0.0003923300000000 ] - [ 0.0000002800000000, -0.0000005600000000, 0.0003928700000000 ] - [ 0.0000001400000000, -0.0000001300000000, -0.0002510600000000 ] - [ 0.0000001300000000, -0.0000000600000000, -0.0002517000000000 ] - [ 0.0000000800000000, -0.0000001000000000, -0.0002513800000000 ] - [ 0.0000003300000000, -0.0000001000000000, -0.0002513900000000 ] - [ -0.0000064900000000, 0.0000000400000000, 0.0004363000000000 ] - [ 0.0001275200000000, 0.0000001200000000, 0.0004368000000000 ] - [ -0.0000161300000000, 0.0000055800000000, 0.0004366600000000 ] - [ -0.0000158000000000, -0.0000053600000000, 0.0004350300000000 ] - [ -0.0000002500000000, 0.0000002400000000, 0.0004342900000000 ] - [ -0.0000003400000000, 0.0000002300000000, 0.0004342900000000 ] - [ -0.0000001400000000, 0.0000001800000000, 0.0004343200000000 ] - [ -0.0000001600000000, 0.0000002900000000, 0.0004342800000000 ] - [ 0.0000005100000000, -0.0000000200000000, -0.0006502200000000 ] - [ 0.0000005200000000, -0.0000002300000000, -0.0006504800000000 ] - [ 0.0000006900000000, -0.0000001300000000, -0.0006503600000000 ] - [ -0.0000000600000000, -0.0000001300000000, -0.0006503500000000 ] - [ -0.0273828600000000, -0.0001847100000000, 0.0006016500000000 ] - [ 0.0106714000000000, -0.0000059700000000, 0.0003401500000000 ] - [ 0.0019633600000000, -0.0050181100000000, 0.0002113500000000 ] - [ 0.0019733400000000, 0.0050305400000000, 0.0004604300000000 ] - [ 0.0000007100000000, -0.0000008100000000, -0.0000174900000000 ] - [ 0.0000007300000000, 0.0000012000000000, -0.0000126600000000 ] - [ -0.0000010300000000, 0.0000001900000000, -0.0000151100000000 ] - [ -0.0000030900000000, 0.0000002000000000, -0.0000151100000000 ] - [ 0.0000000800000000, 0.0000003200000000, -0.0003644200000000 ] - [ 0.0000000900000000, -0.0000000100000000, -0.0003642400000000 ] - [ 0.0000003700000000, 0.0000001500000000, -0.0003643200000000 ] - [ -0.0000004700000000, 0.0000001500000000, -0.0003643300000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000103200000000, 0.0000501000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000448800000000 ] - [ 0.0000089300000000, -0.0000051600000000, 0.0000501000000000 ] - [ -0.0000089300000000, -0.0000051600000000, 0.0000501000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004392600000000 ] - [ 0.0000000000000000, 0.0000000800000000, -0.0004399000000000 ] - [ -0.0000000700000000, -0.0000000400000000, -0.0004399000000000 ] - [ 0.0000000700000000, -0.0000000400000000, -0.0004399000000000 ] - [ 0.0000000000000000, -0.0000002900000000, -0.0001967600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001967200000000 ] - [ -0.0000002500000000, 0.0000001500000000, -0.0001967600000000 ] - [ 0.0000002500000000, 0.0000001500000000, -0.0001967600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004582900000000 ] - [ 0.0000000000000000, 0.0000009900000000, -0.0004575400000000 ] - [ -0.0000008500000000, -0.0000004900000000, -0.0004575400000000 ] - [ 0.0000008500000000, -0.0000004900000000, -0.0004575400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000789300000000 ] - [ 0.0000000000000000, -0.0002975600000000, 0.0001966000000000 ] - [ 0.0002576900000000, 0.0001487800000000, 0.0001966000000000 ] - [ -0.0002576900000000, 0.0001487800000000, 0.0001966000000000 ] - [ -0.0001753800000000, 0.0001012500000000, 0.0004970700000000 ] - [ 0.0001753800000000, 0.0001012500000000, 0.0004970700000000 ] - [ 0.0000000000000000, -0.0002025100000000, 0.0004970700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006430900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000298300000000 ] - [ 0.0000000000000000, -0.0000001800000000, -0.0000292000000000 ] - [ 0.0000001500000000, 0.0000000900000000, -0.0000292000000000 ] - [ -0.0000001500000000, 0.0000000900000000, -0.0000292000000000 ] - [ 0.0000000000000000, 0.0090120300000000, 0.0086789200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026512300000000 ] - [ 0.0078046500000000, -0.0045060200000000, 0.0086789200000000 ] - [ -0.0078046500000000, -0.0045060200000000, 0.0086789200000000 ] - [ -0.0000009500000000, 0.0000005500000000, -0.0006197500000000 ] - [ 0.0000009500000000, 0.0000005500000000, -0.0006197500000000 ] - [ 0.0000000000000000, -0.0000011000000000, -0.0006197500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006222300000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0003099800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003092700000000 ] - [ -0.0000000600000000, 0.0000000300000000, 0.0003099800000000 ] - [ 0.0000000600000000, 0.0000000300000000, 0.0003099800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006173500000000 ] - [ 0.0000000000000000, -0.0000561600000000, -0.0005237300000000 ] - [ 0.0000486400000000, 0.0000280800000000, -0.0005237300000000 ] - [ -0.0000486400000000, 0.0000280800000000, -0.0005237300000000 ] - [ -0.0034608100000000, 0.0019981000000000, 0.0040151700000000 ] - [ 0.0034608100000000, 0.0019981000000000, 0.0040151700000000 ] - [ 0.0000000000000000, -0.0039962000000000, 0.0040151700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007228700000000 ] - [ 0.0004951100000000, -0.0002858500000000, 0.0006165800000000 ] - [ -0.0004951100000000, -0.0002858500000000, 0.0006165800000000 ] - [ 0.0000000000000000, 0.0005717000000000, 0.0006165800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001336400000000 ] - [ 0.0000000000000000, -0.0000006000000000, 0.0003690700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003661000000000 ] - [ -0.0000005200000000, 0.0000003000000000, 0.0003690700000000 ] - [ 0.0000005200000000, 0.0000003000000000, 0.0003690700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002605100000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0002601000000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0002601000000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0002601000000000 ] - [ 0.0000000000000000, -0.0000184000000000, -0.0003059800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000730400000000 ] - [ -0.0000159400000000, 0.0000092000000000, -0.0003059800000000 ] - [ 0.0000159400000000, 0.0000092000000000, -0.0003059800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004787000000000 ] - [ 0.0000000000000000, 0.0000011900000000, 0.0004681900000000 ] - [ -0.0000010300000000, -0.0000006000000000, 0.0004681900000000 ] - [ 0.0000010300000000, -0.0000006000000000, 0.0004681900000000 ] - [ 0.0000002400000000, -0.0000001400000000, -0.0001744900000000 ] - [ -0.0000002400000000, -0.0000001400000000, -0.0001744900000000 ] - [ 0.0000000000000000, 0.0000002800000000, -0.0001744900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001750200000000 ] - [ 0.0000000000000000, 0.0000144000000000, 0.0004249600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008183600000000 ] - [ 0.0000124700000000, -0.0000072000000000, 0.0004249600000000 ] - [ -0.0000124700000000, -0.0000072000000000, 0.0004249600000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0005120500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005115500000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0005120500000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0005120500000000 ] - [ 0.0000001000000000, -0.0000000600000000, -0.0005732700000000 ] - [ -0.0000001000000000, -0.0000000600000000, -0.0005732700000000 ] - [ 0.0000000000000000, 0.0000001100000000, -0.0005732700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005737600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0362787800000000 ] - [ 0.0000000000000000, 0.0001474700000000, -0.0014404600000000 ] - [ -0.0001277100000000, -0.0000737300000000, -0.0014404600000000 ] - [ 0.0001277100000000, -0.0000737300000000, -0.0014404600000000 ] - [ 0.0000004000000000, -0.0000002300000000, 0.0000645300000000 ] - [ -0.0000004000000000, -0.0000002300000000, 0.0000645300000000 ] - [ 0.0000000000000000, 0.0000004600000000, 0.0000645300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000540500000000 ] - [ -0.0000002000000000, 0.0000001100000000, -0.0002870100000000 ] - [ 0.0000002000000000, 0.0000001100000000, -0.0002870100000000 ] - [ 0.0000000000000000, -0.0000002300000000, -0.0002870100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002877000000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000103800000000, 0.0003550700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003607900000000 ] - [ -0.0000089900000000, 0.0000051900000000, 0.0003550700000000 ] - [ 0.0000089900000000, 0.0000051900000000, 0.0003550700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001322700000000 ] - [ 0.0000000000000000, -0.0000000600000000, -0.0001316900000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0001316900000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0001316900000000 ] - [ 0.0000000000000000, 0.0000003200000000, 0.0001114800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001113600000000 ] - [ 0.0000002800000000, -0.0000001600000000, 0.0001114800000000 ] - [ -0.0000002800000000, -0.0000001600000000, 0.0001114800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001494500000000 ] - [ 0.0000000000000000, -0.0000008900000000, -0.0001502500000000 ] - [ 0.0000007700000000, 0.0000004500000000, -0.0001502500000000 ] - [ -0.0000007700000000, 0.0000004500000000, -0.0001502500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004009200000000 ] - [ 0.0000000000000000, 0.0002900000000000, 0.0002839300000000 ] - [ -0.0002511500000000, -0.0001450000000000, 0.0002839300000000 ] - [ 0.0002511500000000, -0.0001450000000000, 0.0002839300000000 ] - [ 0.0001763700000000, -0.0001018300000000, 0.0008888600000000 ] - [ -0.0001763700000000, -0.0001018300000000, 0.0008888600000000 ] - [ 0.0000000000000000, 0.0002036500000000, 0.0008888600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007419100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002795500000000 ] - [ 0.0000000000000000, 0.0000001800000000, 0.0002790600000000 ] - [ -0.0000001500000000, -0.0000000900000000, 0.0002790600000000 ] - [ 0.0000001500000000, -0.0000000900000000, 0.0002790600000000 ] - [ 0.0000000000000000, -0.0092900500000000, -0.0093006500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031876200000000 ] - [ -0.0080454200000000, 0.0046450300000000, -0.0093006500000000 ] - [ 0.0080454200000000, 0.0046450300000000, -0.0093006500000000 ] - [ 0.0000009500000000, -0.0000005500000000, -0.0007783100000000 ] - [ -0.0000009500000000, -0.0000005500000000, -0.0007783100000000 ] - [ 0.0000000000000000, 0.0000010900000000, -0.0007783100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007759000000000 ] - [ 0.0000000000000000, 0.0000001300000000, 0.0001597800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001604500000000 ] - [ 0.0000001100000000, -0.0000000600000000, 0.0001597800000000 ] - [ -0.0000001100000000, -0.0000000600000000, 0.0001597800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006264700000000 ] - [ 0.0000000000000000, 0.0000565400000000, -0.0007205900000000 ] - [ -0.0000489700000000, -0.0000282700000000, -0.0007205900000000 ] - [ 0.0000489700000000, -0.0000282700000000, -0.0007205900000000 ] - [ 0.0035121500000000, -0.0020277400000000, -0.0035338100000000 ] - [ -0.0035121500000000, -0.0020277400000000, -0.0035338100000000 ] - [ 0.0000000000000000, 0.0040554800000000, -0.0035338100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012689400000000 ] - [ -0.0004796000000000, 0.0002769000000000, -0.0006999000000000 ] - [ 0.0004796000000000, 0.0002769000000000, -0.0006999000000000 ] - [ 0.0000000000000000, -0.0005537900000000, -0.0006999000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000258700000000 ] - [ 0.0000000000000000, 0.0000006500000000, 0.0002158500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002189400000000 ] - [ 0.0000005600000000, -0.0000003200000000, 0.0002158500000000 ] - [ -0.0000005600000000, -0.0000003200000000, 0.0002158500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001099700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001105400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001105400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001105400000000 ] - [ 0.0000000000000000, 0.0000187400000000, -0.0002889300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006694000000000 ] - [ 0.0000162300000000, -0.0000093700000000, -0.0002889300000000 ] - [ -0.0000162300000000, -0.0000093700000000, -0.0002889300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003119900000000 ] - [ 0.0000000000000000, -0.0000011500000000, 0.0003222300000000 ] - [ 0.0000010000000000, 0.0000005800000000, 0.0003222300000000 ] - [ -0.0000010000000000, 0.0000005800000000, 0.0003222300000000 ] - [ -0.0000002700000000, 0.0000001500000000, -0.0003321700000000 ] - [ 0.0000002700000000, 0.0000001500000000, -0.0003321700000000 ] - [ 0.0000000000000000, -0.0000003100000000, -0.0003321700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003315400000000 ] - [ 0.0000000000000000, -0.0000139100000000, 0.0004496300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000663200000000 ] - [ -0.0000120500000000, 0.0000069600000000, 0.0004496300000000 ] - [ 0.0000120500000000, 0.0000069600000000, 0.0004496300000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0003607900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003612400000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0003607900000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0003607900000000 ] - [ -0.0000001000000000, 0.0000000600000000, -0.0007312500000000 ] - [ 0.0000001000000000, 0.0000000600000000, -0.0007312500000000 ] - [ 0.0000000000000000, -0.0000001200000000, -0.0007312500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007305400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0374149900000000 ] - [ 0.0000000000000000, -0.0001404900000000, 0.0021074900000000 ] - [ 0.0001216700000000, 0.0000702500000000, 0.0021074900000000 ] - [ -0.0001216700000000, 0.0000702500000000, 0.0021074900000000 ] - [ -0.0000003900000000, 0.0000002200000000, -0.0000980900000000 ] - [ 0.0000003900000000, 0.0000002200000000, -0.0000980900000000 ] - [ 0.0000000000000000, -0.0000004500000000, -0.0000980900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000877700000000 ] - [ 0.0000002200000000, -0.0000001300000000, -0.0004450800000000 ] - [ -0.0000002200000000, -0.0000001300000000, -0.0004450800000000 ] - [ 0.0000000000000000, 0.0000002600000000, -0.0004450800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004442400000000 ]- atom: 89 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0056084300000000, 0.0030912600000000, -0.0057065600000000 ] - [ 0.0058706000000000, -0.0032893600000000, 0.0063910500000000 ] - [ -0.0009371900000000, -0.0000064300000000, 0.0001998400000000 ] - [ 0.0002148000000000, -0.0000150000000000, 0.0001959200000000 ] - [ 0.0000002000000000, 0.0000001300000000, -0.0002842500000000 ] - [ 0.0000001900000000, -0.0000001500000000, -0.0002840800000000 ] - [ 0.0000004300000000, 0.0000000200000000, -0.0002841500000000 ] - [ 0.0000006900000000, 0.0000000200000000, -0.0002841500000000 ] - [ -0.0000000900000000, -0.0000012700000000, -0.0000406000000000 ] - [ -0.0000000900000000, 0.0000012700000000, -0.0000404600000000 ] - [ -0.0000020300000000, -0.0000000100000000, -0.0000405200000000 ] - [ 0.0000021100000000, -0.0000000100000000, -0.0000405200000000 ] - [ 0.0000000400000000, -0.0000001800000000, -0.0003046400000000 ] - [ 0.0000000100000000, 0.0000000700000000, -0.0003052300000000 ] - [ -0.0000002000000000, -0.0000000700000000, -0.0003049500000000 ] - [ -0.0000004800000000, -0.0000000900000000, -0.0003049400000000 ] - [ 0.0000035300000000, -0.0000312300000000, 0.0002533700000000 ] - [ 0.0000051500000000, 0.0000301300000000, 0.0002266900000000 ] - [ -0.0000487900000000, 0.0000000600000000, 0.0002408700000000 ] - [ -0.0001468300000000, 0.0000027700000000, 0.0002401400000000 ] - [ 0.0000001100000000, 0.0000000500000000, 0.0006918800000000 ] - [ 0.0000000300000000, 0.0000000600000000, 0.0006918900000000 ] - [ -0.0000002600000000, -0.0000001000000000, 0.0006919400000000 ] - [ -0.0000002500000000, 0.0000002300000000, 0.0006918200000000 ] - [ -0.0000037800000000, -0.0000986700000000, 0.0001972300000000 ] - [ -0.0000033000000000, 0.0000986200000000, 0.0000566500000000 ] - [ -0.0001745400000000, 0.0000000400000000, 0.0001268800000000 ] - [ 0.0002048900000000, 0.0000000400000000, 0.0001269400000000 ] - [ 0.0000010600000000, 0.0000009400000000, -0.0002627000000000 ] - [ 0.0000014200000000, -0.0000010200000000, -0.0002637000000000 ] - [ -0.0000006100000000, 0.0000000200000000, -0.0002635000000000 ] - [ -0.0000001800000000, 0.0000004800000000, -0.0002632700000000 ] - [ 0.0000004500000000, -0.0000001700000000, -0.0006968400000000 ] - [ -0.0000001100000000, -0.0000001700000000, -0.0006968400000000 ] - [ 0.0000010800000000, 0.0000005100000000, -0.0006968700000000 ] - [ 0.0000010800000000, -0.0000008600000000, -0.0006968000000000 ] - [ 0.0000083400000000, 0.0000307700000000, 0.0002969200000000 ] - [ 0.0000084200000000, -0.0000304700000000, 0.0001675200000000 ] - [ 0.0000281000000000, 0.0000000400000000, 0.0002321700000000 ] - [ -0.0000446600000000, 0.0000001200000000, 0.0002320700000000 ] - [ 0.0000000200000000, 0.0000002600000000, -0.0006201600000000 ] - [ 0.0000000100000000, 0.0000003600000000, -0.0006202600000000 ] - [ -0.0000000800000000, 0.0000003100000000, -0.0006202100000000 ] - [ -0.0000003600000000, 0.0000003100000000, -0.0006202100000000 ] - [ 0.0000023000000000, 0.0000003200000000, 0.0002741500000000 ] - [ -0.0000005100000000, 0.0000003400000000, 0.0002741400000000 ] - [ -0.0000001100000000, 0.0000005800000000, 0.0002743400000000 ] - [ -0.0000000800000000, 0.0000001000000000, 0.0002739800000000 ] - [ 0.0000279800000000, 0.0000002600000000, -0.0000498100000000 ] - [ -0.0000059200000000, 0.0000006400000000, -0.0000506000000000 ] - [ -0.0000454700000000, -0.0000236900000000, -0.0000809900000000 ] - [ -0.0000465300000000, 0.0000226000000000, -0.0000190900000000 ] - [ 0.0000001100000000, 0.0000000400000000, 0.0002901200000000 ] - [ 0.0000001000000000, 0.0000002500000000, 0.0002902600000000 ] - [ -0.0000004700000000, 0.0000001300000000, 0.0002901900000000 ] - [ 0.0000003000000000, 0.0000001400000000, 0.0002901900000000 ] - [ 0.0000003000000000, -0.0000006200000000, 0.0001810700000000 ] - [ 0.0000002900000000, 0.0000001000000000, 0.0001844700000000 ] - [ -0.0000003300000000, -0.0000002600000000, 0.0001827600000000 ] - [ 0.0000009600000000, -0.0000002700000000, 0.0001827700000000 ] - [ 0.0000001600000000, -0.0000002700000000, -0.0002995800000000 ] - [ 0.0000001600000000, -0.0000003400000000, -0.0003000400000000 ] - [ 0.0000003600000000, -0.0000003000000000, -0.0002998200000000 ] - [ 0.0000001000000000, -0.0000003000000000, -0.0002998100000000 ] - [ 0.0018094700000000, -0.0022074800000000, -0.0030749200000000 ] - [ 0.0018063900000000, 0.0022293000000000, 0.0038873600000000 ] - [ -0.0020343700000000, 0.0000064400000000, 0.0003858600000000 ] - [ -0.0007415700000000, 0.0000044600000000, 0.0003908700000000 ] - [ 0.0000282300000000, -0.0000000300000000, -0.0002516300000000 ] - [ -0.0000056800000000, 0.0000000900000000, -0.0002519900000000 ] - [ -0.0000461300000000, -0.0000232900000000, -0.0004199800000000 ] - [ -0.0000458800000000, 0.0000232700000000, -0.0000834600000000 ] - [ 0.0004636000000000, 0.0002756000000000, 0.0009139700000000 ] - [ 0.0004697100000000, -0.0002815900000000, -0.0000544000000000 ] - [ -0.0000220800000000, -0.0000000400000000, 0.0004361200000000 ] - [ -0.0000158600000000, -0.0000036900000000, 0.0004396400000000 ] - [ 0.0000002200000000, 0.0000002100000000, 0.0004341900000000 ] - [ 0.0000002100000000, 0.0000002700000000, 0.0004338700000000 ] - [ -0.0000004500000000, 0.0000002400000000, 0.0004340400000000 ] - [ 0.0000002700000000, 0.0000002400000000, 0.0004340400000000 ] - [ 0.0000005900000000, -0.0000001300000000, -0.0006506100000000 ] - [ 0.0000003000000000, -0.0000001300000000, -0.0006506000000000 ] - [ 0.0000002300000000, -0.0000001700000000, -0.0006507400000000 ] - [ 0.0000002300000000, -0.0000000800000000, -0.0006504800000000 ] - [ 0.0000012500000000, -0.0000012800000000, 0.0003368100000000 ] - [ 0.0000012300000000, 0.0000007000000000, 0.0003358200000000 ] - [ -0.0000004800000000, -0.0000002900000000, 0.0003363900000000 ] - [ -0.0000025500000000, -0.0000002700000000, 0.0003363400000000 ] - [ -0.0269211000000000, 0.0002002000000000, -0.0002849700000000 ] - [ 0.0107428400000000, 0.0000052500000000, -0.0000184600000000 ] - [ 0.0019947700000000, -0.0050588400000000, -0.0001728900000000 ] - [ 0.0019850200000000, 0.0050474100000000, 0.0001440700000000 ] - [ 0.0000021000000000, 0.0000001600000000, -0.0003645800000000 ] - [ -0.0000007900000000, 0.0000001600000000, -0.0003645800000000 ] - [ -0.0000003700000000, 0.0000004000000000, -0.0003643400000000 ] - [ -0.0000003800000000, -0.0000000900000000, -0.0003648400000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0080261900000000, -0.0046339200000000, 0.0092307100000000 ] - [ 0.0080261900000000, -0.0046339200000000, 0.0092307100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031232400000000 ] - [ 0.0000000000000000, 0.0092678500000000, 0.0092307100000000 ] - [ -0.0000001300000000, 0.0000000700000000, -0.0004408600000000 ] - [ 0.0000001300000000, 0.0000000700000000, -0.0004408600000000 ] - [ 0.0000000000000000, -0.0000001500000000, -0.0004408600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004402400000000 ] - [ 0.0000030600000000, 0.0000017600000000, -0.0001984300000000 ] - [ -0.0000030600000000, 0.0000017600000000, -0.0001984300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001955600000000 ] - [ 0.0000000000000000, -0.0000035300000000, -0.0001984300000000 ] - [ 0.0000002900000000, -0.0000001700000000, -0.0004589600000000 ] - [ -0.0000002900000000, -0.0000001700000000, -0.0004589600000000 ] - [ 0.0000000000000000, 0.0000003400000000, -0.0004589600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004588600000000 ] - [ -0.0000349400000000, 0.0000201700000000, 0.0002292300000000 ] - [ 0.0000349400000000, 0.0000201700000000, 0.0002292300000000 ] - [ 0.0000000000000000, -0.0000403500000000, 0.0002292300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001097100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005358800000000 ] - [ 0.0000000000000000, 0.0000002700000000, 0.0005362400000000 ] - [ -0.0000002300000000, -0.0000001300000000, 0.0005362400000000 ] - [ 0.0000002300000000, -0.0000001300000000, 0.0005362400000000 ] - [ 0.0000023700000000, -0.0000013700000000, -0.0000199800000000 ] - [ -0.0000023700000000, -0.0000013700000000, -0.0000199800000000 ] - [ 0.0000000000000000, 0.0000027300000000, -0.0000199800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000698300000000 ] - [ -0.0000052000000000, -0.0000030000000000, -0.0004207700000000 ] - [ 0.0000052000000000, -0.0000030000000000, -0.0004207700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004210000000000 ] - [ 0.0000000000000000, 0.0000060000000000, -0.0004207700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006224100000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0006230400000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0006230400000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0006230400000000 ] - [ 0.0000318800000000, 0.0000184000000000, 0.0003278100000000 ] - [ -0.0000318800000000, 0.0000184000000000, 0.0003278100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002684500000000 ] - [ 0.0000000000000000, -0.0000368100000000, 0.0003278100000000 ] - [ 0.0000000700000000, -0.0000000400000000, -0.0005463300000000 ] - [ -0.0000000700000000, -0.0000000400000000, -0.0005463300000000 ] - [ 0.0000000000000000, 0.0000000800000000, -0.0005463300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005469800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003568800000000 ] - [ 0.0000000000000000, -0.0000003500000000, 0.0003490500000000 ] - [ 0.0000003000000000, 0.0000001700000000, 0.0003490500000000 ] - [ -0.0000003000000000, 0.0000001700000000, 0.0003490500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000661100000000 ] - [ 0.0000000000000000, -0.0001917800000000, 0.0000728700000000 ] - [ 0.0001660900000000, 0.0000958900000000, 0.0000728700000000 ] - [ -0.0001660900000000, 0.0000958900000000, 0.0000728700000000 ] - [ -0.0000002400000000, -0.0000001400000000, 0.0003731000000000 ] - [ 0.0000002400000000, -0.0000001400000000, 0.0003731000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003722700000000 ] - [ 0.0000000000000000, 0.0000002700000000, 0.0003731000000000 ] - [ -0.0000010000000000, 0.0000005800000000, 0.0002650300000000 ] - [ 0.0000010000000000, 0.0000005800000000, 0.0002650300000000 ] - [ 0.0000000000000000, -0.0000011500000000, 0.0002650300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002628100000000 ] - [ 0.0000002400000000, 0.0000001400000000, -0.0002168800000000 ] - [ -0.0000002400000000, 0.0000001400000000, -0.0002168800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002176000000000 ] - [ 0.0000000000000000, -0.0000002800000000, -0.0002168800000000 ] - [ -0.0035297600000000, 0.0020379100000000, 0.0041892200000000 ] - [ 0.0035297600000000, 0.0020379100000000, 0.0041892200000000 ] - [ 0.0000000000000000, -0.0040758100000000, 0.0041892200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005806400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002693000000000 ] - [ 0.0000000000000000, -0.0000356800000000, -0.0001280100000000 ] - [ 0.0000309000000000, 0.0000178400000000, -0.0001280100000000 ] - [ -0.0000309000000000, 0.0000178400000000, -0.0001280100000000 ] - [ 0.0006170300000000, 0.0003562400000000, 0.0010827900000000 ] - [ -0.0006170300000000, 0.0003562400000000, 0.0010827900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003618100000000 ] - [ 0.0000000000000000, -0.0007124900000000, 0.0010827900000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0005169200000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0005169200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005163200000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0005169200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005761500000000 ] - [ 0.0000000000000000, -0.0000000600000000, -0.0005756500000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0005756500000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0005756500000000 ] - [ -0.0000024500000000, 0.0000014100000000, 0.0004201700000000 ] - [ 0.0000024500000000, 0.0000014100000000, 0.0004201700000000 ] - [ 0.0000000000000000, -0.0000028300000000, 0.0004201700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004099600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0372178000000000 ] - [ 0.0000000000000000, 0.0001792000000000, -0.0017174400000000 ] - [ -0.0001551900000000, -0.0000896000000000, -0.0017174400000000 ] - [ 0.0001551900000000, -0.0000896000000000, -0.0017174400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002827600000000 ] - [ 0.0000000000000000, -0.0000002300000000, -0.0002909800000000 ] - [ 0.0000002000000000, 0.0000001200000000, -0.0002909800000000 ] - [ -0.0000002000000000, 0.0000001200000000, -0.0002909800000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0077858300000000, 0.0044951500000000, -0.0087296600000000 ] - [ -0.0077858300000000, 0.0044951500000000, -0.0087296600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027074600000000 ] - [ 0.0000000000000000, -0.0089903000000000, -0.0087296600000000 ] - [ 0.0000000900000000, -0.0000000500000000, -0.0001273000000000 ] - [ -0.0000000900000000, -0.0000000500000000, -0.0001273000000000 ] - [ 0.0000000000000000, 0.0000001000000000, -0.0001273000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001278800000000 ] - [ -0.0000030000000000, -0.0000017300000000, 0.0001165500000000 ] - [ 0.0000030000000000, -0.0000017300000000, 0.0001165500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001137600000000 ] - [ 0.0000000000000000, 0.0000034700000000, 0.0001165500000000 ] - [ -0.0000003000000000, 0.0000001800000000, -0.0001455200000000 ] - [ 0.0000003000000000, 0.0000001800000000, -0.0001455200000000 ] - [ 0.0000000000000000, -0.0000003500000000, -0.0001455200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001456500000000 ] - [ 0.0000365400000000, -0.0000211000000000, 0.0002479800000000 ] - [ -0.0000365400000000, -0.0000211000000000, 0.0002479800000000 ] - [ 0.0000000000000000, 0.0000422000000000, 0.0002479800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005955800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008528500000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0008527400000000 ] - [ 0.0000000600000000, 0.0000000300000000, 0.0008527400000000 ] - [ -0.0000000600000000, 0.0000000300000000, 0.0008527400000000 ] - [ -0.0000025300000000, 0.0000014600000000, 0.0002734400000000 ] - [ 0.0000025300000000, 0.0000014600000000, 0.0002734400000000 ] - [ 0.0000000000000000, -0.0000029200000000, 0.0002734400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003227300000000 ] - [ 0.0000050500000000, 0.0000029200000000, -0.0001054200000000 ] - [ -0.0000050500000000, 0.0000029200000000, -0.0001054200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001058500000000 ] - [ 0.0000000000000000, -0.0000058400000000, -0.0001054200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007779000000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0007775700000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0007775700000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0007775700000000 ] - [ -0.0000316100000000, -0.0000182500000000, 0.0001428200000000 ] - [ 0.0000316100000000, -0.0000182500000000, 0.0001428200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002018500000000 ] - [ 0.0000000000000000, 0.0000365000000000, 0.0001428200000000 ] - [ -0.0000000400000000, 0.0000000300000000, -0.0007003000000000 ] - [ 0.0000000400000000, 0.0000000300000000, -0.0007003000000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0007003000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006995200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001859900000000 ] - [ 0.0000000000000000, 0.0000003100000000, 0.0001938700000000 ] - [ -0.0000002700000000, -0.0000001500000000, 0.0001938700000000 ] - [ 0.0000002700000000, -0.0000001500000000, 0.0001938700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000380000000000 ] - [ 0.0000000000000000, 0.0001968600000000, -0.0001806800000000 ] - [ -0.0001704800000000, -0.0000984300000000, -0.0001806800000000 ] - [ 0.0001704800000000, -0.0000984300000000, -0.0001806800000000 ] - [ 0.0000002100000000, 0.0000001200000000, 0.0002127400000000 ] - [ -0.0000002100000000, 0.0000001200000000, 0.0002127400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002134200000000 ] - [ 0.0000000000000000, -0.0000002500000000, 0.0002127400000000 ] - [ 0.0000010200000000, -0.0000005900000000, 0.0001060700000000 ] - [ -0.0000010200000000, -0.0000005900000000, 0.0001060700000000 ] - [ 0.0000000000000000, 0.0000011800000000, 0.0001060700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001082400000000 ] - [ -0.0000002500000000, -0.0000001400000000, -0.0003781100000000 ] - [ 0.0000002500000000, -0.0000001400000000, -0.0003781100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003775400000000 ] - [ 0.0000000000000000, 0.0000002900000000, -0.0003781100000000 ] - [ 0.0034781500000000, -0.0020081100000000, -0.0033345200000000 ] - [ -0.0034781500000000, -0.0020081100000000, -0.0033345200000000 ] - [ 0.0000000000000000, 0.0040162200000000, -0.0033345200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013718200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002409000000000 ] - [ 0.0000000000000000, 0.0000357500000000, -0.0003811900000000 ] - [ -0.0000309600000000, -0.0000178800000000, -0.0003811900000000 ] - [ 0.0000309600000000, -0.0000178800000000, -0.0003811900000000 ] - [ -0.0006369700000000, -0.0003677500000000, -0.0002271900000000 ] - [ 0.0006369700000000, -0.0003677500000000, -0.0002271900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005203200000000 ] - [ 0.0000000000000000, 0.0007355100000000, -0.0002271900000000 ] - [ -0.0000000900000000, -0.0000000500000000, 0.0003565100000000 ] - [ 0.0000000900000000, -0.0000000500000000, 0.0003565100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003570500000000 ] - [ 0.0000000000000000, 0.0000001100000000, 0.0003565100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007309200000000 ] - [ 0.0000000000000000, 0.0000000400000000, -0.0007312600000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0007312600000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0007312600000000 ] - [ 0.0000025500000000, -0.0000014700000000, 0.0002580200000000 ] - [ -0.0000025500000000, -0.0000014700000000, 0.0002580200000000 ] - [ 0.0000000000000000, 0.0000029400000000, 0.0002580200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002687000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0367246700000000 ] - [ 0.0000000000000000, -0.0001870000000000, 0.0016903600000000 ] - [ 0.0001619500000000, 0.0000935000000000, 0.0016903600000000 ] - [ -0.0001619500000000, 0.0000935000000000, 0.0016903600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004515900000000 ] - [ 0.0000000000000000, 0.0000002400000000, -0.0004436500000000 ] - [ -0.0000002100000000, -0.0000001200000000, -0.0004436500000000 ] - [ 0.0000002100000000, -0.0000001200000000, -0.0004436500000000 ]- atom: 93 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000009700000000, 0.0000009400000000, 0.0002059900000000 ] - [ 0.0000013200000000, -0.0000010300000000, 0.0002049600000000 ] - [ -0.0000007000000000, -0.0000000200000000, 0.0002051800000000 ] - [ -0.0000002900000000, 0.0000004300000000, 0.0002054100000000 ] - [ -0.0000038700000000, -0.0000987100000000, -0.0002137900000000 ] - [ -0.0000033800000000, 0.0000986800000000, -0.0003544900000000 ] - [ -0.0001747000000000, 0.0000000600000000, -0.0002841900000000 ] - [ 0.0002049500000000, 0.0000000600000000, -0.0002841400000000 ] - [ 0.0056094200000000, 0.0030920200000000, -0.0059531100000000 ] - [ 0.0058716000000000, -0.0032901800000000, 0.0061460000000000 ] - [ -0.0009372600000000, -0.0000064500000000, -0.0000459600000000 ] - [ 0.0002144300000000, -0.0000150300000000, -0.0000498800000000 ] - [ -0.0000001300000000, 0.0000002700000000, -0.0003034700000000 ] - [ -0.0000001500000000, -0.0000003900000000, -0.0003064800000000 ] - [ 0.0000004200000000, -0.0000000800000000, -0.0003049800000000 ] - [ -0.0000003100000000, -0.0000000800000000, -0.0003049800000000 ] - [ -0.0000000400000000, 0.0000000900000000, 0.0002403000000000 ] - [ -0.0000000600000000, -0.0000000900000000, 0.0002406000000000 ] - [ 0.0000001000000000, -0.0000000200000000, 0.0002404400000000 ] - [ 0.0000002200000000, -0.0000000400000000, 0.0002404400000000 ] - [ 0.0000000700000000, 0.0000000600000000, 0.0006918400000000 ] - [ -0.0000005100000000, 0.0000000500000000, 0.0006918400000000 ] - [ -0.0000008400000000, -0.0000001300000000, 0.0006918400000000 ] - [ -0.0000008400000000, 0.0000002500000000, 0.0006918400000000 ] - [ 0.0000034300000000, -0.0000312700000000, 0.0001396400000000 ] - [ 0.0000050500000000, 0.0000301100000000, 0.0001131000000000 ] - [ -0.0000489100000000, 0.0000000700000000, 0.0001272300000000 ] - [ -0.0001470200000000, 0.0000027900000000, 0.0001265000000000 ] - [ -0.0000000600000000, 0.0000001400000000, -0.0002632000000000 ] - [ -0.0000000600000000, -0.0000001000000000, -0.0002638500000000 ] - [ -0.0000005800000000, 0.0000000500000000, -0.0002635300000000 ] - [ -0.0000002800000000, 0.0000000500000000, -0.0002635300000000 ] - [ 0.0000028900000000, -0.0000001700000000, -0.0006968800000000 ] - [ -0.0000009500000000, -0.0000001700000000, -0.0006968700000000 ] - [ -0.0000001500000000, 0.0000002800000000, -0.0006966100000000 ] - [ -0.0000001500000000, -0.0000006300000000, -0.0006971500000000 ] - [ 0.0004638700000000, 0.0002758400000000, 0.0007107000000000 ] - [ 0.0004699700000000, -0.0002817600000000, -0.0002584500000000 ] - [ -0.0000221400000000, -0.0000000100000000, 0.0002324600000000 ] - [ -0.0000159500000000, -0.0000036600000000, 0.0002359600000000 ] - [ -0.0000000900000000, 0.0000002900000000, -0.0006202100000000 ] - [ -0.0000001000000000, 0.0000003200000000, -0.0006202900000000 ] - [ -0.0000001200000000, 0.0000003100000000, -0.0006202500000000 ] - [ -0.0000003200000000, 0.0000003100000000, -0.0006202600000000 ] - [ 0.0000000600000000, 0.0000003300000000, 0.0002741100000000 ] - [ -0.0000005100000000, 0.0000003300000000, 0.0002741100000000 ] - [ 0.0000006700000000, 0.0000010100000000, 0.0002740900000000 ] - [ 0.0000006800000000, -0.0000003500000000, 0.0002741500000000 ] - [ 0.0000005700000000, -0.0000000300000000, -0.0000501000000000 ] - [ 0.0000002300000000, -0.0000000400000000, -0.0000501100000000 ] - [ 0.0000002500000000, -0.0000000300000000, -0.0000501100000000 ] - [ 0.0000002400000000, -0.0000000500000000, -0.0000501000000000 ] - [ -0.0000003500000000, 0.0000009000000000, 0.0002891000000000 ] - [ -0.0000003600000000, -0.0000006200000000, 0.0002912000000000 ] - [ 0.0000011000000000, 0.0000001400000000, 0.0002901500000000 ] - [ -0.0000016600000000, 0.0000001400000000, 0.0002901500000000 ] - [ 0.0018093700000000, -0.0022074200000000, -0.0032847700000000 ] - [ 0.0018063000000000, 0.0022291900000000, 0.0036779800000000 ] - [ -0.0020343100000000, 0.0000064200000000, 0.0001762300000000 ] - [ -0.0007415300000000, 0.0000044400000000, 0.0001812500000000 ] - [ 0.0000005000000000, -0.0000003500000000, -0.0002997200000000 ] - [ 0.0000004900000000, -0.0000002700000000, -0.0002999900000000 ] - [ -0.0000001900000000, -0.0000003100000000, -0.0002998500000000 ] - [ 0.0000005600000000, -0.0000003100000000, -0.0002998500000000 ] - [ 0.0000011900000000, -0.0000012400000000, 0.0003927800000000 ] - [ 0.0000011700000000, 0.0000007300000000, 0.0003918000000000 ] - [ -0.0000005300000000, -0.0000002500000000, 0.0003923600000000 ] - [ -0.0000025800000000, -0.0000002300000000, 0.0003923100000000 ] - [ 0.0000278800000000, 0.0000001900000000, -0.0002514300000000 ] - [ -0.0000060600000000, 0.0000005800000000, -0.0002522300000000 ] - [ -0.0000456400000000, -0.0000237800000000, -0.0002826400000000 ] - [ -0.0000467000000000, 0.0000225600000000, -0.0002207000000000 ] - [ -0.0000004000000000, 0.0000001000000000, 0.0004360000000000 ] - [ -0.0000004000000000, 0.0000000200000000, 0.0004355000000000 ] - [ -0.0000002100000000, 0.0000000600000000, 0.0004357400000000 ] - [ -0.0000004700000000, 0.0000000600000000, 0.0004357500000000 ] - [ 0.0000083000000000, 0.0000307000000000, 0.0004988000000000 ] - [ 0.0000083800000000, -0.0000301300000000, 0.0003692900000000 ] - [ 0.0000280400000000, 0.0000001800000000, 0.0004340100000000 ] - [ -0.0000443400000000, 0.0000002600000000, 0.0004339100000000 ] - [ 0.0000280500000000, -0.0000000700000000, -0.0006506400000000 ] - [ -0.0000055300000000, 0.0000000600000000, -0.0006509900000000 ] - [ -0.0000464800000000, -0.0000236100000000, -0.0008193300000000 ] - [ -0.0000462200000000, 0.0000235300000000, -0.0004821500000000 ] - [ 0.0000005500000000, -0.0000001000000000, 0.0003362100000000 ] - [ 0.0000005400000000, -0.0000004600000000, 0.0003363700000000 ] - [ 0.0000008500000000, -0.0000002700000000, 0.0003362900000000 ] - [ 0.0000000300000000, -0.0000002800000000, 0.0003362900000000 ] - [ 0.0000020700000000, 0.0000001700000000, -0.0000153900000000 ] - [ -0.0000006900000000, 0.0000001900000000, -0.0000154000000000 ] - [ -0.0000002800000000, 0.0000004400000000, -0.0000152000000000 ] - [ -0.0000002700000000, -0.0000000400000000, -0.0000155500000000 ] - [ -0.0269135100000000, 0.0002003000000000, -0.0006301900000000 ] - [ 0.0107427100000000, 0.0000052200000000, -0.0003677500000000 ] - [ 0.0019947100000000, -0.0050588400000000, -0.0005221400000000 ] - [ 0.0019849600000000, 0.0050473300000000, -0.0002052800000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000051600000000, -0.0000029800000000, 0.0000485000000000 ] - [ 0.0000051600000000, -0.0000029800000000, 0.0000485000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000482900000000 ] - [ 0.0000000000000000, 0.0000059500000000, 0.0000485000000000 ] - [ 0.0000023600000000, -0.0000013600000000, -0.0004308200000000 ] - [ -0.0000023600000000, -0.0000013600000000, -0.0004308200000000 ] - [ 0.0000000000000000, 0.0000027200000000, -0.0004308200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004806400000000 ] - [ -0.0080273000000000, -0.0046345600000000, 0.0089853400000000 ] - [ 0.0080273000000000, -0.0046345600000000, 0.0089853400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028776100000000 ] - [ 0.0000000000000000, 0.0092691200000000, 0.0089853400000000 ] - [ 0.0000025100000000, -0.0000014500000000, -0.0004597400000000 ] - [ -0.0000025100000000, -0.0000014500000000, -0.0004597400000000 ] - [ 0.0000000000000000, 0.0000029000000000, -0.0004597400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004566000000000 ] - [ -0.0000002300000000, 0.0000001300000000, 0.0000833800000000 ] - [ 0.0000002300000000, 0.0000001300000000, 0.0000833800000000 ] - [ 0.0000000000000000, -0.0000002700000000, 0.0000833800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000838900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005356300000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0005358700000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0005358700000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0005358700000000 ] - [ -0.0000349300000000, 0.0000201600000000, 0.0001150900000000 ] - [ 0.0000349300000000, 0.0000201600000000, 0.0001150900000000 ] - [ 0.0000000000000000, -0.0000403300000000, 0.0001150900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002237600000000 ] - [ 0.0000003200000000, 0.0000001800000000, -0.0004218000000000 ] - [ -0.0000003200000000, 0.0000001800000000, -0.0004218000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004217000000000 ] - [ 0.0000000000000000, -0.0000003600000000, -0.0004218000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006158300000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0006239800000000 ] - [ -0.0000000600000000, -0.0000000300000000, -0.0006239800000000 ] - [ 0.0000000600000000, -0.0000000300000000, -0.0006239800000000 ] - [ 0.0006174100000000, 0.0003564600000000, 0.0008792700000000 ] - [ -0.0006174100000000, 0.0003564600000000, 0.0008792700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001576700000000 ] - [ 0.0000000000000000, -0.0007129200000000, 0.0008792700000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0005461300000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0005461300000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0005461300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005466500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003509500000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0003505000000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0003505000000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0003505000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000253700000000 ] - [ 0.0000000000000000, -0.0000001400000000, 0.0000255100000000 ] - [ 0.0000001300000000, 0.0000000700000000, 0.0000255100000000 ] - [ -0.0000001300000000, 0.0000000700000000, 0.0000255100000000 ] - [ -0.0000014100000000, -0.0000008100000000, 0.0003720700000000 ] - [ 0.0000014100000000, -0.0000008100000000, 0.0003720700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003708600000000 ] - [ 0.0000000000000000, 0.0000016300000000, 0.0003720700000000 ] - [ -0.0035298300000000, 0.0020379500000000, 0.0039785700000000 ] - [ 0.0035298300000000, 0.0020379500000000, 0.0039785700000000 ] - [ 0.0000000000000000, -0.0040759000000000, 0.0039785700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007911800000000 ] - [ 0.0000000800000000, 0.0000000500000000, -0.0002173000000000 ] - [ -0.0000000800000000, 0.0000000500000000, -0.0002173000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002179100000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0002173000000000 ] - [ -0.0000024800000000, 0.0000014300000000, 0.0004762700000000 ] - [ 0.0000024800000000, 0.0000014300000000, 0.0004762700000000 ] - [ 0.0000000000000000, -0.0000028700000000, 0.0004762700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004658900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002673000000000 ] - [ 0.0000000000000000, -0.0001918100000000, -0.0001282400000000 ] - [ 0.0001661200000000, 0.0000959100000000, -0.0001282400000000 ] - [ -0.0001661200000000, 0.0000959100000000, -0.0001282400000000 ] - [ 0.0000003200000000, 0.0000001800000000, 0.0005168900000000 ] - [ -0.0000003200000000, 0.0000001800000000, 0.0005168900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005164600000000 ] - [ 0.0000000000000000, -0.0000003600000000, 0.0005168900000000 ] - [ 0.0000319200000000, 0.0000184300000000, 0.0005293400000000 ] - [ -0.0000319200000000, 0.0000184300000000, 0.0005293400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004699700000000 ] - [ 0.0000000000000000, -0.0000368500000000, 0.0005293400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006679400000000 ] - [ 0.0000000000000000, -0.0000359600000000, -0.0005266400000000 ] - [ 0.0000311400000000, 0.0000179800000000, -0.0005266400000000 ] - [ -0.0000311400000000, 0.0000179800000000, -0.0005266400000000 ] - [ -0.0000001600000000, 0.0000000900000000, 0.0004171500000000 ] - [ 0.0000001600000000, 0.0000000900000000, 0.0004171500000000 ] - [ 0.0000000000000000, -0.0000001900000000, 0.0004171500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004165700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000665300000000 ] - [ 0.0000000000000000, -0.0000002900000000, 0.0000587000000000 ] - [ 0.0000002500000000, 0.0000001500000000, 0.0000587000000000 ] - [ -0.0000002500000000, 0.0000001500000000, 0.0000587000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0375510100000000 ] - [ 0.0000000000000000, 0.0001791400000000, -0.0020661900000000 ] - [ -0.0001551400000000, -0.0000895700000000, -0.0020661900000000 ] - [ 0.0001551400000000, -0.0000895700000000, -0.0020661900000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000050500000000, 0.0000029200000000, 0.0003610900000000 ] - [ -0.0000050500000000, 0.0000029200000000, 0.0003610900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003607000000000 ] - [ 0.0000000000000000, -0.0000058300000000, 0.0003610900000000 ] - [ -0.0000025200000000, 0.0000014600000000, -0.0001374700000000 ] - [ 0.0000025200000000, 0.0000014600000000, -0.0001374700000000 ] - [ 0.0000000000000000, -0.0000029100000000, -0.0001374700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000881800000000 ] - [ 0.0077868700000000, 0.0044957500000000, -0.0089754900000000 ] - [ -0.0077868700000000, 0.0044957500000000, -0.0089754900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029529800000000 ] - [ 0.0000000000000000, -0.0089915000000000, -0.0089754900000000 ] - [ -0.0000025400000000, 0.0000014700000000, -0.0001448000000000 ] - [ 0.0000025400000000, 0.0000014700000000, -0.0001448000000000 ] - [ 0.0000000000000000, -0.0000029400000000, -0.0001448000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001480000000000 ] - [ 0.0000002000000000, -0.0000001200000000, 0.0003973300000000 ] - [ -0.0000002000000000, -0.0000001200000000, 0.0003973300000000 ] - [ 0.0000000000000000, 0.0000002300000000, 0.0003973300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003965300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008528200000000 ] - [ 0.0000000000000000, 0.0000001700000000, 0.0008528600000000 ] - [ -0.0000001500000000, -0.0000000900000000, 0.0008528600000000 ] - [ 0.0000001500000000, -0.0000000900000000, 0.0008528600000000 ] - [ 0.0000365300000000, -0.0000210900000000, 0.0001341800000000 ] - [ -0.0000365300000000, -0.0000210900000000, 0.0001341800000000 ] - [ 0.0000000000000000, 0.0000421900000000, 0.0001341800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004819900000000 ] - [ -0.0000002900000000, -0.0000001700000000, -0.0001051200000000 ] - [ 0.0000002900000000, -0.0000001700000000, -0.0001051200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001053200000000 ] - [ 0.0000000000000000, 0.0000003400000000, -0.0001051200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007844100000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0007765900000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0007765900000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0007765900000000 ] - [ -0.0006374300000000, -0.0003680200000000, -0.0004310600000000 ] - [ 0.0006374300000000, -0.0003680200000000, -0.0004310600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003168400000000 ] - [ 0.0000000000000000, 0.0007360400000000, -0.0004310600000000 ] - [ 0.0000000600000000, -0.0000000300000000, -0.0007002100000000 ] - [ -0.0000000600000000, -0.0000000300000000, -0.0007002100000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0007002100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006995900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001923900000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0001927900000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0001927900000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0001927900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001315600000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0001316400000000 ] - [ -0.0000000600000000, -0.0000000300000000, -0.0001316400000000 ] - [ 0.0000000600000000, -0.0000000300000000, -0.0001316400000000 ] - [ 0.0000013800000000, 0.0000007900000000, 0.0002130900000000 ] - [ -0.0000013800000000, 0.0000007900000000, 0.0002130900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002141300000000 ] - [ 0.0000000000000000, -0.0000015900000000, 0.0002130900000000 ] - [ 0.0034782600000000, -0.0020081800000000, -0.0035445900000000 ] - [ -0.0034782600000000, -0.0020081800000000, -0.0035445900000000 ] - [ 0.0000000000000000, 0.0040163500000000, -0.0035445900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011616200000000 ] - [ -0.0000000800000000, -0.0000000500000000, -0.0003784100000000 ] - [ 0.0000000800000000, -0.0000000500000000, -0.0003784100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003779500000000 ] - [ 0.0000000000000000, 0.0000000900000000, -0.0003784100000000 ] - [ 0.0000025200000000, -0.0000014600000000, 0.0003142700000000 ] - [ -0.0000025200000000, -0.0000014600000000, 0.0003142700000000 ] - [ 0.0000000000000000, 0.0000029100000000, 0.0003142700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003248200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002393300000000 ] - [ 0.0000000000000000, 0.0001969800000000, -0.0003820600000000 ] - [ -0.0001705900000000, -0.0000984900000000, -0.0003820600000000 ] - [ 0.0001705900000000, -0.0000984900000000, -0.0003820600000000 ] - [ -0.0000002500000000, -0.0000001400000000, 0.0003598400000000 ] - [ 0.0000002500000000, -0.0000001400000000, 0.0003598400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003605100000000 ] - [ 0.0000000000000000, 0.0000002900000000, 0.0003598400000000 ] - [ -0.0000317000000000, -0.0000183000000000, 0.0003437100000000 ] - [ 0.0000317000000000, -0.0000183000000000, 0.0003437100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004026500000000 ] - [ 0.0000000000000000, 0.0000366000000000, 0.0003437100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006395400000000 ] - [ 0.0000000000000000, 0.0000360000000000, -0.0007799300000000 ] - [ -0.0000311800000000, -0.0000180000000000, -0.0007799300000000 ] - [ 0.0000311800000000, -0.0000180000000000, -0.0007799300000000 ] - [ 0.0000002200000000, -0.0000001300000000, 0.0002602300000000 ] - [ -0.0000002200000000, -0.0000001300000000, 0.0002602300000000 ] - [ 0.0000000000000000, 0.0000002600000000, 0.0002602300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002610100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001026100000000 ] - [ 0.0000000000000000, 0.0000003100000000, -0.0000947100000000 ] - [ -0.0000002700000000, -0.0000001600000000, -0.0000947100000000 ] - [ 0.0000002700000000, -0.0000001600000000, -0.0000947100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0363789700000000 ] - [ 0.0000000000000000, -0.0001869100000000, 0.0013408800000000 ] - [ 0.0001618700000000, 0.0000934500000000, 0.0013408800000000 ] - [ -0.0001618700000000, 0.0000934500000000, 0.0013408800000000 ]