# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e37d3d8b-78e5-4d7a-9679-a589d4ca344c/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 571136](https://mdr.nims.go.jp/datasets/65f37e74-5434-4880-8204-7cba61670475) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P3m1" number: 156 Hall_symbol: "P 3 -2\""supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.221931410000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.110965710000000, 3.656299860000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 47.945537999999999 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.178573370000000 ] mass: 112.411000 - symbol: Cd # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.607148040000000 ] mass: 112.411000 - symbol: Cd # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.749995890000000 ] mass: 112.411000 - symbol: Cd # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.892858030000000 ] mass: 112.411000 - symbol: Cd # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.321401090000000 ] mass: 112.411000 - symbol: Cd # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.464283870000000 ] mass: 112.411000 - symbol: Cd # 7 coordinates: [ 0.666666670000000, 0.333333330000000, 0.035713360000000 ] mass: 112.411000 - symbol: I # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.428724400000000 ] mass: 126.904470 - symbol: I # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.571597670000000 ] mass: 126.904470 - symbol: I # 10 coordinates: [ 0.666666670000000, 0.333333330000000, 0.143018610000000 ] mass: 126.904470 - symbol: I # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.071280210000000 ] mass: 126.904470 - symbol: I # 12 coordinates: [ 0.333333330000000, 0.666666670000000, 0.214140580000000 ] mass: 126.904470 - symbol: I # 13 coordinates: [ 0.333333330000000, 0.666666670000000, 0.356969050000000 ] mass: 126.904470 - symbol: I # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.642706550000000 ] mass: 126.904470 - symbol: I # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000159990000000 ] mass: 126.904470 - symbol: I # 16 coordinates: [ 0.333333330000000, 0.666666670000000, 0.785555150000000 ] mass: 126.904470 - symbol: I # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.928421600000000 ] mass: 126.904470 - symbol: I # 18 coordinates: [ 0.666666670000000, 0.333333330000000, 0.857310120000000 ] mass: 126.904470 - symbol: I # 19 coordinates: [ 0.333333330000000, 0.666666670000000, 0.499848190000000 ] mass: 126.904470 - symbol: I # 20 coordinates: [ 0.666666670000000, 0.333333330000000, 0.714446740000000 ] mass: 126.904470 - symbol: I # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.285847470000000 ] mass: 126.904470 reciprocal_lattice: # without 2pi - [ 0.236858419260771, 0.136750272223103, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.273500543798396, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.020856998204922 ] # c*unit_cell: lattice: - [ 4.221931410000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.110965710000000, 3.656299860000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 47.945537999999999 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.178573370000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.607148040000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 3 coordinates: [ 0.000000000000000, 0.000000000000000, 0.749995890000000 ] mass: 112.411000 reduced_to: 3 - symbol: Cd # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.892858030000000 ] mass: 112.411000 reduced_to: 4 - symbol: Cd # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.321401090000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.464283870000000 ] mass: 112.411000 reduced_to: 6 - symbol: Cd # 7 coordinates: [ 0.666666670000000, 0.333333330000000, 0.035713360000000 ] mass: 112.411000 reduced_to: 7 - symbol: I # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.428724400000000 ] mass: 126.904470 reduced_to: 8 - symbol: I # 9 coordinates: [ 0.666666670000000, 0.333333330000000, 0.571597670000000 ] mass: 126.904470 reduced_to: 9 - symbol: I # 10 coordinates: [ 0.666666670000000, 0.333333330000000, 0.143018610000000 ] mass: 126.904470 reduced_to: 10 - symbol: I # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.071280210000000 ] mass: 126.904470 reduced_to: 11 - symbol: I # 12 coordinates: [ 0.333333330000000, 0.666666670000000, 0.214140580000000 ] mass: 126.904470 reduced_to: 12 - symbol: I # 13 coordinates: [ 0.333333330000000, 0.666666670000000, 0.356969050000000 ] mass: 126.904470 reduced_to: 13 - symbol: I # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.642706550000000 ] mass: 126.904470 reduced_to: 14 - symbol: I # 15 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000159990000000 ] mass: 126.904470 reduced_to: 15 - symbol: I # 16 coordinates: [ 0.333333330000000, 0.666666670000000, 0.785555150000000 ] mass: 126.904470 reduced_to: 16 - symbol: I # 17 coordinates: [ 0.333333330000000, 0.666666670000000, 0.928421600000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 18 coordinates: [ 0.666666670000000, 0.333333330000000, 0.857310120000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 19 coordinates: [ 0.333333330000000, 0.666666670000000, 0.499848190000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 20 coordinates: [ 0.666666670000000, 0.333333330000000, 0.714446740000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.285847470000000 ] mass: 126.904470 reduced_to: 21supercell: lattice: - [ 8.443862820000000, 0.000000000000000, 0.000000000000000 ] # a - [ -4.221931420000000, 7.312599720000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 47.945537999999999 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.178573370000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.178573370000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.178573370000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.178573370000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.607148040000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.607148040000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.607148040000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.607148040000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.749995890000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 10 coordinates: [ 0.500000000000000, 0.000000000000000, 0.749995890000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 11 coordinates: [ 0.000000000000000, 0.500000000000000, 0.749995890000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.749995890000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.892858030000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 14 coordinates: [ 0.500000000000000, 0.000000000000000, 0.892858030000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 15 coordinates: [ 0.000000000000000, 0.500000000000000, 0.892858030000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.892858030000000 ] mass: 112.411000 reduced_to: 13 - symbol: Cd # 17 coordinates: [ 0.333333335000000, 0.166666665000000, 0.321401090000000 ] mass: 112.411000 reduced_to: 17 - symbol: Cd # 18 coordinates: [ 0.833333335000000, 0.166666665000000, 0.321401090000000 ] mass: 112.411000 reduced_to: 17 - symbol: Cd # 19 coordinates: [ 0.333333335000000, 0.666666665000000, 0.321401090000000 ] mass: 112.411000 reduced_to: 17 - symbol: Cd # 20 coordinates: [ 0.833333335000000, 0.666666665000000, 0.321401090000000 ] mass: 112.411000 reduced_to: 17 - symbol: Cd # 21 coordinates: [ 0.000000000000000, 0.000000000000000, 0.464283870000000 ] mass: 112.411000 reduced_to: 21 - symbol: Cd # 22 coordinates: [ 0.500000000000000, 0.000000000000000, 0.464283870000000 ] mass: 112.411000 reduced_to: 21 - symbol: Cd # 23 coordinates: [ 0.000000000000000, 0.500000000000000, 0.464283870000000 ] mass: 112.411000 reduced_to: 21 - symbol: Cd # 24 coordinates: [ 0.500000000000000, 0.500000000000000, 0.464283870000000 ] mass: 112.411000 reduced_to: 21 - symbol: Cd # 25 coordinates: [ 0.333333335000000, 0.166666665000000, 0.035713360000000 ] mass: 112.411000 reduced_to: 25 - symbol: Cd # 26 coordinates: [ 0.833333335000000, 0.166666665000000, 0.035713360000000 ] mass: 112.411000 reduced_to: 25 - symbol: Cd # 27 coordinates: [ 0.333333335000000, 0.666666665000000, 0.035713360000000 ] mass: 112.411000 reduced_to: 25 - symbol: Cd # 28 coordinates: [ 0.833333335000000, 0.666666665000000, 0.035713360000000 ] mass: 112.411000 reduced_to: 25 - symbol: I # 29 coordinates: [ 0.333333335000000, 0.166666665000000, 0.428724400000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 30 coordinates: [ 0.833333335000000, 0.166666665000000, 0.428724400000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 31 coordinates: [ 0.333333335000000, 0.666666665000000, 0.428724400000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 32 coordinates: [ 0.833333335000000, 0.666666665000000, 0.428724400000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 33 coordinates: [ 0.333333335000000, 0.166666665000000, 0.571597670000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 34 coordinates: [ 0.833333335000000, 0.166666665000000, 0.571597670000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 35 coordinates: [ 0.333333335000000, 0.666666665000000, 0.571597670000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 36 coordinates: [ 0.833333335000000, 0.666666665000000, 0.571597670000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 37 coordinates: [ 0.333333335000000, 0.166666665000000, 0.143018610000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 38 coordinates: [ 0.833333335000000, 0.166666665000000, 0.143018610000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 39 coordinates: [ 0.333333335000000, 0.666666665000000, 0.143018610000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 40 coordinates: [ 0.833333335000000, 0.666666665000000, 0.143018610000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 41 coordinates: [ 0.166666665000000, 0.333333335000000, 0.071280210000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 42 coordinates: [ 0.666666665000000, 0.333333335000000, 0.071280210000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 43 coordinates: [ 0.166666665000000, 0.833333335000000, 0.071280210000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 44 coordinates: [ 0.666666665000000, 0.833333335000000, 0.071280210000000 ] mass: 126.904470 reduced_to: 41 - symbol: I # 45 coordinates: [ 0.166666665000000, 0.333333335000000, 0.214140580000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 46 coordinates: [ 0.666666665000000, 0.333333335000000, 0.214140580000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 47 coordinates: [ 0.166666665000000, 0.833333335000000, 0.214140580000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 48 coordinates: [ 0.666666665000000, 0.833333335000000, 0.214140580000000 ] mass: 126.904470 reduced_to: 45 - symbol: I # 49 coordinates: [ 0.166666665000000, 0.333333335000000, 0.356969050000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 50 coordinates: [ 0.666666665000000, 0.333333335000000, 0.356969050000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 51 coordinates: [ 0.166666665000000, 0.833333335000000, 0.356969050000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 52 coordinates: [ 0.666666665000000, 0.833333335000000, 0.356969050000000 ] mass: 126.904470 reduced_to: 49 - symbol: I # 53 coordinates: [ 0.166666665000000, 0.333333335000000, 0.642706550000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 54 coordinates: [ 0.666666665000000, 0.333333335000000, 0.642706550000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 55 coordinates: [ 0.166666665000000, 0.833333335000000, 0.642706550000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 56 coordinates: [ 0.666666665000000, 0.833333335000000, 0.642706550000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 57 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000159990000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 58 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000159990000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 59 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000159990000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 60 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000159990000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 61 coordinates: [ 0.166666665000000, 0.333333335000000, 0.785555150000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 62 coordinates: [ 0.666666665000000, 0.333333335000000, 0.785555150000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 63 coordinates: [ 0.166666665000000, 0.833333335000000, 0.785555150000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 64 coordinates: [ 0.666666665000000, 0.833333335000000, 0.785555150000000 ] mass: 126.904470 reduced_to: 61 - symbol: I # 65 coordinates: [ 0.166666665000000, 0.333333335000000, 0.928421600000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 66 coordinates: [ 0.666666665000000, 0.333333335000000, 0.928421600000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 67 coordinates: [ 0.166666665000000, 0.833333335000000, 0.928421600000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 68 coordinates: [ 0.666666665000000, 0.833333335000000, 0.928421600000000 ] mass: 126.904470 reduced_to: 65 - symbol: I # 69 coordinates: [ 0.333333335000000, 0.166666665000000, 0.857310120000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 70 coordinates: [ 0.833333335000000, 0.166666665000000, 0.857310120000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 71 coordinates: [ 0.333333335000000, 0.666666665000000, 0.857310120000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 72 coordinates: [ 0.833333335000000, 0.666666665000000, 0.857310120000000 ] mass: 126.904470 reduced_to: 69 - symbol: I # 73 coordinates: [ 0.166666665000000, 0.333333335000000, 0.499848190000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 74 coordinates: [ 0.666666665000000, 0.333333335000000, 0.499848190000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 75 coordinates: [ 0.166666665000000, 0.833333335000000, 0.499848190000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 76 coordinates: [ 0.666666665000000, 0.833333335000000, 0.499848190000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 77 coordinates: [ 0.333333335000000, 0.166666665000000, 0.714446740000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 78 coordinates: [ 0.833333335000000, 0.166666665000000, 0.714446740000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 79 coordinates: [ 0.333333335000000, 0.666666665000000, 0.714446740000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 80 coordinates: [ 0.833333335000000, 0.666666665000000, 0.714446740000000 ] mass: 126.904470 reduced_to: 77 - symbol: I # 81 coordinates: [ 0.000000000000000, 0.000000000000000, 0.285847470000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 82 coordinates: [ 0.500000000000000, 0.000000000000000, 0.285847470000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 83 coordinates: [ 0.000000000000000, 0.500000000000000, 0.285847470000000 ] mass: 126.904470 reduced_to: 81 - symbol: I # 84 coordinates: [ 0.500000000000000, 0.500000000000000, 0.285847470000000 ] mass: 126.904470 reduced_to: 81displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0336987800000000, -0.0000003600000000, -0.0002036000000000 ] - [ 0.0114395800000000, 0.0000008600000000, -0.0002117800000000 ] - [ 0.0003804900000000, -0.0063850200000000, -0.0042947100000000 ] - [ 0.0003802600000000, 0.0063840100000000, 0.0038721900000000 ] - [ 0.0000002500000000, 0.0000000000000000, -0.0000341700000000 ] - [ -0.0000008900000000, -0.0000000200000000, -0.0000342400000000 ] - [ -0.0000007900000000, 0.0000000000000000, -0.0000343000000000 ] - [ -0.0000007900000000, -0.0000001100000000, -0.0000341800000000 ] - [ 0.0000005300000000, -0.0000001000000000, 0.0001571800000000 ] - [ -0.0000009400000000, -0.0000000100000000, 0.0001571600000000 ] - [ -0.0000009100000000, 0.0000000100000000, 0.0001570800000000 ] - [ -0.0000007800000000, -0.0000000600000000, 0.0001571800000000 ] - [ -0.0000082400000000, 0.0000000000000000, 0.0005273300000000 ] - [ 0.0000081400000000, -0.0000000900000000, 0.0005272700000000 ] - [ -0.0000001400000000, -0.0000048400000000, 0.0005247000000000 ] - [ -0.0000001600000000, 0.0000047900000000, 0.0005298700000000 ] - [ 0.0000258000000000, 0.0001752800000000, -0.0003598900000000 ] - [ 0.0000254400000000, -0.0001753000000000, 0.0001141900000000 ] - [ 0.0002577700000000, 0.0000000300000000, -0.0001229600000000 ] - [ -0.0002780500000000, -0.0000002100000000, -0.0001231700000000 ] - [ -0.0000087900000000, 0.0000000400000000, -0.0007215000000000 ] - [ 0.0000082700000000, 0.0000000300000000, -0.0007214900000000 ] - [ -0.0000000700000000, -0.0000047900000000, -0.0007241000000000 ] - [ -0.0000001100000000, 0.0000048700000000, -0.0007188700000000 ] - [ 0.0000263700000000, 0.0001749600000000, -0.0003438600000000 ] - [ 0.0000247100000000, -0.0001750500000000, -0.0002181400000000 ] - [ 0.0002572500000000, 0.0000005900000000, -0.0002812400000000 ] - [ -0.0002775500000000, -0.0000003900000000, -0.0002805100000000 ] - [ -0.0000001500000000, 0.0000012500000000, -0.0005750800000000 ] - [ -0.0000001700000000, -0.0000005900000000, -0.0005576100000000 ] - [ -0.0000007900000000, 0.0000002900000000, -0.0005663900000000 ] - [ -0.0000018300000000, 0.0000002500000000, -0.0005663300000000 ] - [ -0.0000006600000000, 0.0000001400000000, -0.0011122700000000 ] - [ -0.0000006600000000, 0.0000001800000000, -0.0011127600000000 ] - [ -0.0000015400000000, 0.0000001900000000, -0.0011124300000000 ] - [ -0.0000005700000000, 0.0000002000000000, -0.0011124900000000 ] - [ 0.0059691100000000, 0.0033359500000000, -0.0083482100000000 ] - [ 0.0057191700000000, -0.0031478100000000, 0.0075159100000000 ] - [ -0.0009370100000000, 0.0000032400000000, -0.0002783300000000 ] - [ 0.0002300100000000, 0.0000263000000000, -0.0002543200000000 ] - [ -0.0000501500000000, -0.0000000300000000, 0.0006590700000000 ] - [ -0.0001465800000000, 0.0000000900000000, 0.0006572900000000 ] - [ 0.0000031600000000, -0.0000305800000000, 0.0006937100000000 ] - [ 0.0000032200000000, 0.0000309800000000, 0.0006228000000000 ] - [ 0.0002144600000000, -0.0000261000000000, 0.0002282700000000 ] - [ -0.0009359000000000, -0.0000033300000000, 0.0002523500000000 ] - [ 0.0058635100000000, -0.0032839500000000, 0.0082963900000000 ] - [ 0.0056137000000000, 0.0030959500000000, -0.0075169100000000 ] - [ -0.0001756300000000, 0.0000001200000000, 0.0003140000000000 ] - [ 0.0002034900000000, 0.0000000200000000, 0.0003143600000000 ] - [ -0.0000045500000000, -0.0000985800000000, 0.0003116600000000 ] - [ -0.0000047600000000, 0.0000988100000000, 0.0003167100000000 ] - [ -0.0000002400000000, -0.0000001900000000, 0.0010110000000000 ] - [ -0.0000006100000000, -0.0000001600000000, 0.0010109800000000 ] - [ -0.0000002300000000, -0.0000001300000000, 0.0010102100000000 ] - [ -0.0000002300000000, -0.0000002000000000, 0.0010119000000000 ] - [ 0.0000046900000000, 0.0000000800000000, -0.0004611500000000 ] - [ 0.0000060400000000, -0.0000002200000000, -0.0004616400000000 ] - [ -0.0000214100000000, -0.0000159800000000, -0.0003023500000000 ] - [ -0.0000219500000000, 0.0000160300000000, -0.0006201800000000 ] - [ -0.0000000800000000, -0.0000001600000000, 0.0014857300000000 ] - [ -0.0000010000000000, -0.0000001700000000, 0.0014856600000000 ] - [ -0.0000001200000000, -0.0000001500000000, 0.0014854400000000 ] - [ -0.0000001500000000, -0.0000001700000000, 0.0014858300000000 ] - [ -0.0000002300000000, -0.0000001900000000, 0.0013092700000000 ] - [ -0.0000018200000000, -0.0000001600000000, 0.0013093400000000 ] - [ 0.0000002800000000, -0.0000004500000000, 0.0013143400000000 ] - [ 0.0000002700000000, 0.0000001000000000, 0.0013043600000000 ] - [ -0.0000009900000000, -0.0000011200000000, -0.0004921900000000 ] - [ -0.0000010100000000, 0.0000011800000000, -0.0005001500000000 ] - [ -0.0000011700000000, 0.0000000500000000, -0.0004960800000000 ] - [ 0.0000010700000000, 0.0000000600000000, -0.0004960900000000 ] - [ 0.0000026400000000, -0.0000001600000000, -0.0001129800000000 ] - [ -0.0000016200000000, -0.0000001900000000, -0.0001129100000000 ] - [ -0.0000003500000000, 0.0000015000000000, -0.0001158900000000 ] - [ -0.0000003500000000, -0.0000018300000000, -0.0001100700000000 ] - [ -0.0000008100000000, 0.0000000900000000, -0.0012755600000000 ] - [ -0.0000007500000000, 0.0000001600000000, -0.0012773700000000 ] - [ -0.0000011800000000, 0.0000001300000000, -0.0012765400000000 ] - [ -0.0000007500000000, 0.0000001100000000, -0.0012765000000000 ] - [ -0.0000299500000000, -0.0000002600000000, -0.0000419400000000 ] - [ -0.0000826800000000, -0.0000000700000000, -0.0000416100000000 ] - [ 0.0000188500000000, 0.0000588800000000, -0.0002953500000000 ] - [ 0.0000190900000000, -0.0000584500000000, 0.0002116500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0330596000000000 ] - [ 0.0000000000000000, 0.0047156200000000, -0.0093770100000000 ] - [ -0.0040838400000000, -0.0023578100000000, -0.0093770100000000 ] - [ 0.0040838400000000, -0.0023578100000000, -0.0093770100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003265200000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0003281900000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0003281900000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0003281900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005156200000000 ] - [ 0.0000000000000000, 0.0000001000000000, 0.0005194000000000 ] - [ -0.0000000800000000, -0.0000000500000000, 0.0005194000000000 ] - [ 0.0000000800000000, -0.0000000500000000, 0.0005194000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008822900000000 ] - [ 0.0000000000000000, 0.0000030000000000, 0.0008872300000000 ] - [ -0.0000025900000000, -0.0000015000000000, 0.0008872300000000 ] - [ 0.0000025900000000, -0.0000015000000000, 0.0008872300000000 ] - [ 0.0000640500000000, 0.0000369800000000, 0.0002822600000000 ] - [ -0.0000640500000000, 0.0000369800000000, 0.0002822600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001415800000000 ] - [ 0.0000000000000000, -0.0000739600000000, 0.0002822600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003592300000000 ] - [ 0.0000000000000000, 0.0000030200000000, -0.0003594900000000 ] - [ -0.0000026100000000, -0.0000015100000000, -0.0003594900000000 ] - [ 0.0000026100000000, -0.0000015100000000, -0.0003594900000000 ] - [ 0.0002375500000000, 0.0001371500000000, 0.0001241500000000 ] - [ -0.0002375500000000, 0.0001371500000000, 0.0001241500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000169300000000 ] - [ 0.0000000000000000, -0.0002743000000000, 0.0001241500000000 ] - [ 0.0000007000000000, 0.0000004100000000, -0.0007390600000000 ] - [ -0.0000007000000000, 0.0000004100000000, -0.0007390600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007450000000000 ] - [ 0.0000000000000000, -0.0000008100000000, -0.0007390600000000 ] - [ 0.0000001400000000, 0.0000000800000000, -0.0012894300000000 ] - [ -0.0000001400000000, 0.0000000800000000, -0.0012894300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012902800000000 ] - [ 0.0000000000000000, -0.0000001600000000, -0.0012894300000000 ] - [ -0.0060644100000000, -0.0035012900000000, 0.0086586900000000 ] - [ 0.0060644100000000, -0.0035012900000000, 0.0086586900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026288300000000 ] - [ 0.0000000000000000, 0.0070025700000000, 0.0086586900000000 ] - [ 0.0000000000000000, -0.0000159800000000, 0.0006247100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002797500000000 ] - [ -0.0000138400000000, 0.0000079900000000, 0.0006247100000000 ] - [ 0.0000138400000000, 0.0000079900000000, 0.0006247100000000 ] - [ 0.0000000000000000, 0.0070994800000000, 0.0092554000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031438300000000 ] - [ 0.0061483300000000, -0.0035497400000000, 0.0092554000000000 ] - [ -0.0061483300000000, -0.0035497400000000, 0.0092554000000000 ] - [ 0.0000000000000000, -0.0000815300000000, 0.0001422300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000952600000000 ] - [ -0.0000706000000000, 0.0000407600000000, 0.0001422300000000 ] - [ 0.0000706000000000, 0.0000407600000000, 0.0001422300000000 ] - [ 0.0000000000000000, -0.0000009300000000, 0.0008300900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008326300000000 ] - [ -0.0000008100000000, 0.0000004700000000, 0.0008300900000000 ] - [ 0.0000008100000000, 0.0000004700000000, 0.0008300900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005162000000000 ] - [ 0.0000000000000000, -0.0000573700000000, -0.0006823200000000 ] - [ 0.0000496800000000, 0.0000286800000000, -0.0006823200000000 ] - [ -0.0000496800000000, 0.0000286800000000, -0.0006823200000000 ] - [ 0.0000000000000000, -0.0000002500000000, 0.0013052700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013042400000000 ] - [ -0.0000002100000000, 0.0000001200000000, 0.0013052700000000 ] - [ 0.0000002100000000, 0.0000001200000000, 0.0013052700000000 ] - [ 0.0000000000000000, -0.0000007100000000, 0.0011298100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011295100000000 ] - [ -0.0000006100000000, 0.0000003500000000, 0.0011298100000000 ] - [ 0.0000006100000000, 0.0000003500000000, 0.0011298100000000 ] - [ 0.0000007200000000, 0.0000004100000000, -0.0006736600000000 ] - [ -0.0000007200000000, 0.0000004100000000, -0.0006736600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006685600000000 ] - [ 0.0000000000000000, -0.0000008300000000, -0.0006736600000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0002942000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002904900000000 ] - [ -0.0000000400000000, 0.0000000300000000, -0.0002942000000000 ] - [ 0.0000000400000000, 0.0000000300000000, -0.0002942000000000 ] - [ 0.0000007100000000, 0.0000004100000000, -0.0014538300000000 ] - [ -0.0000007100000000, 0.0000004100000000, -0.0014538300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014512200000000 ] - [ 0.0000000000000000, -0.0000008200000000, -0.0014538300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002222700000000 ] - [ 0.0000000000000000, -0.0000121500000000, -0.0001052200000000 ] - [ 0.0000105200000000, 0.0000060700000000, -0.0001052200000000 ] - [ -0.0000105200000000, 0.0000060700000000, -0.0001052200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0325492300000000 ] - [ 0.0000000000000000, -0.0047156100000000, 0.0089544300000000 ] - [ 0.0040838400000000, 0.0023578100000000, 0.0089544300000000 ] - [ -0.0040838400000000, 0.0023578100000000, 0.0089544300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003902800000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0003940400000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0003940400000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0003940400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001969400000000 ] - [ 0.0000000000000000, -0.0000000700000000, -0.0002026400000000 ] - [ 0.0000000600000000, 0.0000000300000000, -0.0002026400000000 ] - [ -0.0000000600000000, 0.0000000300000000, -0.0002026400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001747500000000 ] - [ 0.0000000000000000, -0.0000029200000000, 0.0001688700000000 ] - [ 0.0000025300000000, 0.0000014600000000, 0.0001688700000000 ] - [ -0.0000025300000000, 0.0000014600000000, 0.0001688700000000 ] - [ -0.0000619500000000, -0.0000357700000000, -0.0005273100000000 ] - [ 0.0000619500000000, -0.0000357700000000, -0.0005273100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003876800000000 ] - [ 0.0000000000000000, 0.0000715400000000, -0.0005273100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010822300000000 ] - [ 0.0000000000000000, -0.0000029700000000, -0.0010820400000000 ] - [ 0.0000025700000000, 0.0000014900000000, -0.0010820400000000 ] - [ -0.0000025700000000, 0.0000014900000000, -0.0010820400000000 ] - [ -0.0002357900000000, -0.0001361400000000, -0.0006851200000000 ] - [ 0.0002357900000000, -0.0001361400000000, -0.0006851200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005462500000000 ] - [ 0.0000000000000000, 0.0002722700000000, -0.0006851200000000 ] - [ -0.0000006900000000, -0.0000004000000000, -0.0003902600000000 ] - [ 0.0000006900000000, -0.0000004000000000, -0.0003902600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003843300000000 ] - [ 0.0000000000000000, 0.0000008000000000, -0.0003902600000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0009333100000000 ] - [ 0.0000001200000000, -0.0000000700000000, -0.0009333100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009325600000000 ] - [ 0.0000000000000000, 0.0000001400000000, -0.0009333100000000 ] - [ 0.0062619200000000, 0.0036153200000000, -0.0093004100000000 ] - [ -0.0062619200000000, 0.0036153200000000, -0.0093004100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031781500000000 ] - [ 0.0000000000000000, -0.0072306400000000, -0.0093004100000000 ] - [ 0.0000000000000000, 0.0000155000000000, 0.0006918100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010320300000000 ] - [ 0.0000134200000000, -0.0000077500000000, 0.0006918100000000 ] - [ -0.0000134200000000, -0.0000077500000000, 0.0006918100000000 ] - [ 0.0000000000000000, -0.0068716800000000, -0.0086640400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026446800000000 ] - [ -0.0059510500000000, 0.0034358400000000, -0.0086640400000000 ] - [ 0.0059510500000000, 0.0034358400000000, -0.0086640400000000 ] - [ 0.0000000000000000, 0.0000809400000000, 0.0004849600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005332500000000 ] - [ 0.0000700900000000, -0.0000404700000000, 0.0004849600000000 ] - [ -0.0000700900000000, -0.0000404700000000, 0.0004849600000000 ] - [ 0.0000000000000000, 0.0000009500000000, 0.0011912500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011887900000000 ] - [ 0.0000008200000000, -0.0000004800000000, 0.0011912500000000 ] - [ -0.0000008200000000, -0.0000004800000000, 0.0011912500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004025800000000 ] - [ 0.0000000000000000, 0.0000564900000000, -0.0002368400000000 ] - [ -0.0000489200000000, -0.0000282500000000, -0.0002368400000000 ] - [ 0.0000489200000000, -0.0000282500000000, -0.0002368400000000 ] - [ 0.0000000000000000, 0.0000002300000000, 0.0016648400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016657900000000 ] - [ 0.0000002000000000, -0.0000001100000000, 0.0016648400000000 ] - [ -0.0000002000000000, -0.0000001100000000, 0.0016648400000000 ] - [ 0.0000000000000000, 0.0000006800000000, 0.0014886900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014890200000000 ] - [ 0.0000005900000000, -0.0000003400000000, 0.0014886900000000 ] - [ -0.0000005900000000, -0.0000003400000000, 0.0014886900000000 ] - [ -0.0000007200000000, -0.0000004200000000, -0.0003163700000000 ] - [ 0.0000007200000000, -0.0000004200000000, -0.0003163700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003214500000000 ] - [ 0.0000000000000000, 0.0000008400000000, -0.0003163700000000 ] - [ 0.0000000000000000, 0.0000000900000000, 0.0000673800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000636800000000 ] - [ 0.0000000800000000, -0.0000000500000000, 0.0000673800000000 ] - [ -0.0000000800000000, -0.0000000500000000, 0.0000673800000000 ] - [ -0.0000007200000000, -0.0000004100000000, -0.0010963000000000 ] - [ 0.0000007200000000, -0.0000004100000000, -0.0010963000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010989000000000 ] - [ 0.0000000000000000, 0.0000008300000000, -0.0010963000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001398700000000 ] - [ 0.0000000000000000, 0.0000126400000000, 0.0000263200000000 ] - [ -0.0000109400000000, -0.0000063200000000, 0.0000263200000000 ] - [ 0.0000109400000000, -0.0000063200000000, 0.0000263200000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000002000000000, -0.0000000800000000, -0.0002109600000000 ] - [ -0.0000008500000000, -0.0000000900000000, -0.0002110100000000 ] - [ -0.0000008100000000, 0.0000000100000000, -0.0002110100000000 ] - [ -0.0000007600000000, -0.0000000100000000, -0.0002110000000000 ] - [ -0.0337466600000000, 0.0000006200000000, -0.0000523700000000 ] - [ 0.0114453600000000, 0.0000009400000000, -0.0000344200000000 ] - [ 0.0003813000000000, -0.0063879400000000, -0.0041191800000000 ] - [ 0.0003811200000000, 0.0063867700000000, 0.0040514400000000 ] - [ -0.0000840700000000, 0.0000003300000000, 0.0001578000000000 ] - [ 0.0000838000000000, -0.0000005000000000, 0.0001570900000000 ] - [ 0.0000477800000000, -0.0000212100000000, -0.0000113600000000 ] - [ 0.0000464200000000, 0.0000211900000000, 0.0003267600000000 ] - [ 0.0000081000000000, 0.0000000700000000, 0.0005276600000000 ] - [ -0.0000083500000000, -0.0000001000000000, 0.0005276500000000 ] - [ -0.0000000900000000, 0.0000047200000000, 0.0005317400000000 ] - [ -0.0000000900000000, -0.0000047900000000, 0.0005236100000000 ] - [ -0.0000013300000000, -0.0000052600000000, -0.0001187800000000 ] - [ -0.0000013600000000, 0.0000053900000000, -0.0001264800000000 ] - [ -0.0000104100000000, -0.0000000600000000, -0.0001226600000000 ] - [ 0.0000078300000000, -0.0000001300000000, -0.0001226600000000 ] - [ -0.0000834400000000, -0.0000004000000000, -0.0007215300000000 ] - [ 0.0000838500000000, 0.0000004900000000, -0.0007206800000000 ] - [ 0.0000463300000000, -0.0000212400000000, -0.0008905700000000 ] - [ 0.0000477600000000, 0.0000212500000000, -0.0005520700000000 ] - [ -0.0000012300000000, 0.0000005900000000, -0.0002800800000000 ] - [ -0.0000012100000000, -0.0000005000000000, -0.0002808600000000 ] - [ -0.0000016500000000, 0.0000000100000000, -0.0002804700000000 ] - [ -0.0000021500000000, 0.0000000500000000, -0.0002804500000000 ] - [ -0.0000134400000000, -0.0000882100000000, -0.0006276600000000 ] - [ -0.0000128600000000, 0.0000888700000000, -0.0005048600000000 ] - [ -0.0001116700000000, 0.0000000900000000, -0.0005661000000000 ] - [ 0.0001401300000000, 0.0000004500000000, -0.0005663100000000 ] - [ 0.0059673900000000, 0.0033370900000000, -0.0091843800000000 ] - [ 0.0057174400000000, -0.0031491400000000, 0.0066828500000000 ] - [ -0.0009412700000000, 0.0000032700000000, -0.0011130100000000 ] - [ 0.0002262100000000, 0.0000262600000000, -0.0010889400000000 ] - [ -0.0000007300000000, 0.0000002000000000, -0.0002767500000000 ] - [ -0.0000007000000000, 0.0000002200000000, -0.0002783700000000 ] - [ -0.0000010700000000, 0.0000001700000000, -0.0002775000000000 ] - [ -0.0000007000000000, 0.0000001900000000, -0.0002775700000000 ] - [ -0.0000006500000000, 0.0000000900000000, 0.0006582300000000 ] - [ -0.0000010700000000, 0.0000000800000000, 0.0006582900000000 ] - [ -0.0000006800000000, 0.0000001000000000, 0.0006573800000000 ] - [ -0.0000006600000000, 0.0000000500000000, 0.0006591200000000 ] - [ -0.0000000500000000, -0.0000001800000000, 0.0002519200000000 ] - [ -0.0000010100000000, -0.0000001700000000, 0.0002518400000000 ] - [ -0.0000001300000000, -0.0000001500000000, 0.0002516600000000 ] - [ -0.0000001200000000, -0.0000002100000000, 0.0002521200000000 ] - [ 0.0000009800000000, 0.0000000700000000, 0.0003145100000000 ] - [ -0.0000033400000000, 0.0000000700000000, 0.0003145800000000 ] - [ -0.0000001000000000, 0.0000007100000000, 0.0003042000000000 ] - [ -0.0000000800000000, -0.0000005600000000, 0.0003248700000000 ] - [ 0.0002274400000000, -0.0000262400000000, 0.0009880500000000 ] - [ -0.0009411200000000, -0.0000032500000000, 0.0010121500000000 ] - [ 0.0059580000000000, -0.0033308500000000, 0.0090710100000000 ] - [ 0.0057082800000000, 0.0031430900000000, -0.0067713700000000 ] - [ 0.0000005700000000, -0.0000000500000000, -0.0004611600000000 ] - [ 0.0000006500000000, -0.0000000500000000, -0.0004604400000000 ] - [ -0.0000001800000000, -0.0000004900000000, -0.0004605800000000 ] - [ -0.0000001800000000, 0.0000004500000000, -0.0004610300000000 ] - [ 0.0001412400000000, -0.0000003600000000, 0.0014861800000000 ] - [ -0.0001116700000000, 0.0000000400000000, 0.0014858700000000 ] - [ -0.0000128100000000, 0.0000885500000000, 0.0015473500000000 ] - [ -0.0000122300000000, -0.0000889500000000, 0.0014247300000000 ] - [ -0.0000027100000000, -0.0000001800000000, 0.0013095500000000 ] - [ 0.0000038500000000, -0.0000001600000000, 0.0013096000000000 ] - [ -0.0000002800000000, -0.0000015600000000, 0.0013111700000000 ] - [ -0.0000002900000000, 0.0000011900000000, 0.0013080100000000 ] - [ -0.0000001800000000, -0.0000001400000000, -0.0004858600000000 ] - [ -0.0000002100000000, 0.0000001700000000, -0.0005060900000000 ] - [ -0.0000031900000000, 0.0000000400000000, -0.0004959000000000 ] - [ 0.0000001600000000, 0.0000000500000000, -0.0004958800000000 ] - [ -0.0000244100000000, -0.0000003600000000, -0.0001114600000000 ] - [ -0.0002384200000000, -0.0000003400000000, -0.0001130700000000 ] - [ -0.0000055300000000, -0.0000109600000000, -0.0000660500000000 ] - [ -0.0000054700000000, 0.0000109900000000, -0.0001584000000000 ] - [ -0.0000060500000000, 0.0000111200000000, -0.0013222300000000 ] - [ -0.0000059800000000, -0.0000112800000000, -0.0012310400000000 ] - [ -0.0002390900000000, 0.0000002700000000, -0.0012758000000000 ] - [ -0.0000254600000000, 0.0000002800000000, -0.0012774700000000 ] - [ -0.0000036200000000, -0.0000001200000000, -0.0000413500000000 ] - [ 0.0000031100000000, -0.0000001200000000, -0.0000413400000000 ] - [ -0.0000007200000000, -0.0000023500000000, -0.0000435000000000 ] - [ -0.0000007300000000, 0.0000021100000000, -0.0000389600000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0001470000000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0001488900000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0001488900000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0001488900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0327755100000000 ] - [ 0.0000000000000000, 0.0047177200000000, -0.0092049000000000 ] - [ -0.0040856600000000, -0.0023588600000000, -0.0092049000000000 ] - [ 0.0040856600000000, -0.0023588600000000, -0.0092049000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003837800000000 ] - [ 0.0000000000000000, 0.0001941600000000, 0.0005852900000000 ] - [ -0.0001681500000000, -0.0000970800000000, 0.0005852900000000 ] - [ 0.0001681500000000, -0.0000970800000000, 0.0005852900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008998300000000 ] - [ 0.0000000000000000, -0.0000046900000000, 0.0008872500000000 ] - [ 0.0000040600000000, 0.0000023400000000, 0.0008872500000000 ] - [ -0.0000040600000000, 0.0000023400000000, 0.0008872500000000 ] - [ -0.0000028000000000, -0.0000016200000000, 0.0002350000000000 ] - [ 0.0000028000000000, -0.0000016200000000, 0.0002350000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002377600000000 ] - [ 0.0000000000000000, 0.0000032400000000, 0.0002350000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005094100000000 ] - [ 0.0000000000000000, 0.0001963600000000, -0.0002935700000000 ] - [ -0.0001700500000000, -0.0000981800000000, -0.0002935700000000 ] - [ 0.0001700500000000, -0.0000981800000000, -0.0002935700000000 ] - [ 0.0000001500000000, 0.0000000900000000, 0.0000767400000000 ] - [ -0.0000001500000000, 0.0000000900000000, 0.0000767400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000767600000000 ] - [ 0.0000000000000000, -0.0000001700000000, 0.0000767400000000 ] - [ -0.0000940300000000, -0.0000542900000000, -0.0007521100000000 ] - [ 0.0000940300000000, -0.0000542900000000, -0.0007521100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007252900000000 ] - [ 0.0000000000000000, 0.0001085700000000, -0.0007521100000000 ] - [ -0.0060530200000000, -0.0034947100000000, 0.0078221600000000 ] - [ 0.0060530200000000, -0.0034947100000000, 0.0078221600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018014600000000 ] - [ 0.0000000000000000, 0.0069894200000000, 0.0078221600000000 ] - [ 0.0000007300000000, 0.0000004200000000, -0.0004548900000000 ] - [ -0.0000007300000000, 0.0000004200000000, -0.0004548900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004522600000000 ] - [ 0.0000000000000000, -0.0000008400000000, -0.0004548900000000 ] - [ 0.0000000000000000, -0.0000009300000000, 0.0004751700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004776800000000 ] - [ -0.0000008100000000, 0.0000004700000000, 0.0004751700000000 ] - [ 0.0000008100000000, 0.0000004700000000, 0.0004751700000000 ] - [ 0.0000000000000000, -0.0000003000000000, 0.0000686600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000675400000000 ] - [ -0.0000002600000000, 0.0000001500000000, 0.0000686600000000 ] - [ 0.0000002600000000, 0.0000001500000000, 0.0000686600000000 ] - [ 0.0000000000000000, 0.0000011600000000, 0.0001297300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001390700000000 ] - [ 0.0000010100000000, -0.0000005800000000, 0.0001297300000000 ] - [ -0.0000010100000000, -0.0000005800000000, 0.0001297300000000 ] - [ 0.0000000000000000, 0.0072080200000000, 0.0100261800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0039206300000000 ] - [ 0.0062423300000000, -0.0036040100000000, 0.0100261800000000 ] - [ -0.0062423300000000, -0.0036040100000000, 0.0100261800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006391100000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0006361400000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0006361400000000 ] - [ 0.0000000100000000, 0.0000000000000000, -0.0006361400000000 ] - [ 0.0000000000000000, 0.0001079500000000, 0.0012943500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013198700000000 ] - [ 0.0000934900000000, -0.0000539700000000, 0.0012943500000000 ] - [ -0.0000934900000000, -0.0000539700000000, 0.0012943500000000 ] - [ 0.0000000000000000, -0.0000011200000000, 0.0011281800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011267600000000 ] - [ -0.0000009700000000, 0.0000005600000000, 0.0011281800000000 ] - [ 0.0000009700000000, 0.0000005600000000, 0.0011281800000000 ] - [ -0.0000010400000000, -0.0000006000000000, -0.0006762800000000 ] - [ 0.0000010400000000, -0.0000006000000000, -0.0006762800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006670400000000 ] - [ 0.0000000000000000, 0.0000012000000000, -0.0006762800000000 ] - [ 0.0000000000000000, -0.0000023500000000, -0.0001521400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004917200000000 ] - [ -0.0000020300000000, 0.0000011700000000, -0.0001521400000000 ] - [ 0.0000020300000000, 0.0000011700000000, -0.0001521400000000 ] - [ 0.0000020800000000, 0.0000012000000000, -0.0013128200000000 ] - [ -0.0000020800000000, 0.0000012000000000, -0.0013128200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016473800000000 ] - [ 0.0000000000000000, -0.0000024000000000, -0.0013128200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002195400000000 ] - [ 0.0000000000000000, 0.0000020400000000, -0.0002183800000000 ] - [ -0.0000017700000000, -0.0000010200000000, -0.0002183800000000 ] - [ 0.0000017700000000, -0.0000010200000000, -0.0002183800000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005691600000000 ] - [ 0.0000000000000000, -0.0000000900000000, -0.0005727200000000 ] - [ 0.0000000800000000, 0.0000000400000000, -0.0005727200000000 ] - [ -0.0000000800000000, 0.0000000400000000, -0.0005727200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0327693900000000 ] - [ 0.0000000000000000, -0.0047178400000000, 0.0091380500000000 ] - [ 0.0040857700000000, 0.0023589200000000, 0.0091380500000000 ] - [ -0.0040857700000000, 0.0023589200000000, 0.0091380500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000687700000000 ] - [ 0.0000000000000000, -0.0001965700000000, -0.0002702400000000 ] - [ 0.0001702300000000, 0.0000982800000000, -0.0002702400000000 ] - [ -0.0001702300000000, 0.0000982800000000, -0.0002702400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001535100000000 ] - [ 0.0000000000000000, 0.0000047100000000, 0.0001668100000000 ] - [ -0.0000040800000000, -0.0000023500000000, 0.0001668100000000 ] - [ 0.0000040800000000, -0.0000023500000000, 0.0001668100000000 ] - [ 0.0000028200000000, 0.0000016300000000, -0.0004827000000000 ] - [ -0.0000028200000000, 0.0000016300000000, -0.0004827000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004854800000000 ] - [ 0.0000000000000000, -0.0000032500000000, -0.0004827000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009379400000000 ] - [ 0.0000000000000000, -0.0001939300000000, -0.0011494300000000 ] - [ 0.0001679500000000, 0.0000969700000000, -0.0011494300000000 ] - [ -0.0001679500000000, 0.0000969700000000, -0.0011494300000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0006408300000000 ] - [ 0.0000001200000000, -0.0000000700000000, -0.0006408300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006408400000000 ] - [ 0.0000000000000000, 0.0000001400000000, -0.0006408300000000 ] - [ 0.0000934800000000, 0.0000539700000000, -0.0003777500000000 ] - [ -0.0000934800000000, 0.0000539700000000, -0.0003777500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004033500000000 ] - [ 0.0000000000000000, -0.0001079400000000, -0.0003777500000000 ] - [ 0.0062505100000000, 0.0036087300000000, -0.0101342000000000 ] - [ -0.0062505100000000, 0.0036087300000000, -0.0101342000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040208800000000 ] - [ 0.0000000000000000, -0.0072174600000000, -0.0101342000000000 ] - [ -0.0000007200000000, -0.0000004100000000, -0.0000983000000000 ] - [ 0.0000007200000000, -0.0000004100000000, -0.0000983000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001009600000000 ] - [ 0.0000000000000000, 0.0000008300000000, -0.0000983000000000 ] - [ 0.0000000000000000, 0.0000009300000000, 0.0008377800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008352700000000 ] - [ 0.0000008100000000, -0.0000004700000000, 0.0008377800000000 ] - [ -0.0000008100000000, -0.0000004700000000, 0.0008377800000000 ] - [ 0.0000000000000000, 0.0000002700000000, 0.0004306400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004317100000000 ] - [ 0.0000002400000000, -0.0000001400000000, 0.0004306400000000 ] - [ -0.0000002400000000, -0.0000001400000000, 0.0004306400000000 ] - [ 0.0000000000000000, -0.0000011700000000, 0.0004945600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004852100000000 ] - [ -0.0000010100000000, 0.0000005900000000, 0.0004945600000000 ] - [ 0.0000010100000000, 0.0000005900000000, 0.0004945600000000 ] - [ 0.0000000000000000, -0.0069797900000000, -0.0079189400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019056100000000 ] - [ -0.0060446700000000, 0.0034898900000000, -0.0079189400000000 ] - [ 0.0060446700000000, 0.0034898900000000, -0.0079189400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002811100000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0002828000000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0002828000000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0002828000000000 ] - [ 0.0000000000000000, -0.0001085700000000, 0.0016738000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016470800000000 ] - [ -0.0000940200000000, 0.0000542800000000, 0.0016738000000000 ] - [ 0.0000940200000000, 0.0000542800000000, 0.0016738000000000 ] - [ 0.0000000000000000, 0.0000011200000000, 0.0014872900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014888000000000 ] - [ 0.0000009700000000, -0.0000005600000000, 0.0014872900000000 ] - [ -0.0000009700000000, -0.0000005600000000, 0.0014872900000000 ] - [ 0.0000010700000000, 0.0000006200000000, -0.0003139500000000 ] - [ -0.0000010700000000, 0.0000006200000000, -0.0003139500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003232200000000 ] - [ 0.0000000000000000, -0.0000012300000000, -0.0003139500000000 ] - [ 0.0000000000000000, 0.0000019500000000, -0.0000765100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002584300000000 ] - [ 0.0000016900000000, -0.0000009700000000, -0.0000765100000000 ] - [ -0.0000016900000000, -0.0000009700000000, -0.0000765100000000 ] - [ -0.0000022200000000, -0.0000012800000000, -0.0012391500000000 ] - [ 0.0000022200000000, -0.0000012800000000, -0.0012391500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009001400000000 ] - [ 0.0000000000000000, 0.0000025600000000, -0.0012391500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001392900000000 ] - [ 0.0000000000000000, -0.0000020400000000, 0.0001381700000000 ] - [ 0.0000017700000000, 0.0000010200000000, 0.0001381700000000 ] - [ -0.0000017700000000, 0.0000010200000000, 0.0001381700000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000008900000000, -0.0000000800000000, -0.0002112100000000 ] - [ -0.0000004200000000, -0.0000000800000000, -0.0002112200000000 ] - [ -0.0000004400000000, -0.0000000200000000, -0.0002112800000000 ] - [ -0.0000004000000000, 0.0000000300000000, -0.0002111700000000 ] - [ -0.0000836700000000, -0.0000003900000000, -0.0000346000000000 ] - [ 0.0000842700000000, 0.0000004600000000, -0.0000337000000000 ] - [ 0.0000467700000000, -0.0000213100000000, -0.0002035500000000 ] - [ 0.0000482700000000, 0.0000211200000000, 0.0001348700000000 ] - [ -0.0337754300000000, 0.0000000100000000, 0.0001566900000000 ] - [ 0.0114451500000000, 0.0000009500000000, 0.0001567900000000 ] - [ 0.0003815500000000, -0.0063876200000000, -0.0039278900000000 ] - [ 0.0003814400000000, 0.0063865200000000, 0.0042425100000000 ] - [ -0.0000838100000000, 0.0000004700000000, 0.0005279600000000 ] - [ 0.0000839300000000, -0.0000005800000000, 0.0005269700000000 ] - [ 0.0000481600000000, -0.0000211200000000, 0.0003593400000000 ] - [ 0.0000466300000000, 0.0000211100000000, 0.0006959400000000 ] - [ -0.0000008200000000, 0.0000007600000000, -0.0001232900000000 ] - [ -0.0000009000000000, -0.0000006300000000, -0.0001224900000000 ] - [ -0.0000009000000000, -0.0000000500000000, -0.0001229100000000 ] - [ -0.0000021100000000, -0.0000001200000000, -0.0001229000000000 ] - [ 0.0000086700000000, 0.0000000600000000, -0.0007214000000000 ] - [ -0.0000078900000000, 0.0000000200000000, -0.0007213700000000 ] - [ 0.0000003800000000, 0.0000047800000000, -0.0007172900000000 ] - [ 0.0000003000000000, -0.0000047200000000, -0.0007254500000000 ] - [ -0.0000009400000000, 0.0000024100000000, -0.0002807000000000 ] - [ -0.0000008300000000, -0.0000023100000000, -0.0002807000000000 ] - [ 0.0000031900000000, 0.0000000100000000, -0.0002806900000000 ] - [ -0.0000049600000000, 0.0000000700000000, -0.0002807000000000 ] - [ -0.0000003200000000, 0.0000016700000000, -0.0005679700000000 ] - [ -0.0000003600000000, -0.0000010300000000, -0.0005646600000000 ] - [ 0.0000038000000000, 0.0000003000000000, -0.0005663600000000 ] - [ -0.0000027700000000, 0.0000002500000000, -0.0005662900000000 ] - [ -0.0000129900000000, -0.0000885300000000, -0.0011737400000000 ] - [ -0.0000123700000000, 0.0000888900000000, -0.0010512600000000 ] - [ -0.0001117400000000, -0.0000000100000000, -0.0011122300000000 ] - [ 0.0001410200000000, 0.0000003900000000, -0.0011125500000000 ] - [ -0.0000002600000000, 0.0000001700000000, -0.0002774500000000 ] - [ -0.0000002500000000, 0.0000002400000000, -0.0002778300000000 ] - [ -0.0000011300000000, 0.0000001700000000, -0.0002775700000000 ] - [ -0.0000002000000000, 0.0000002000000000, -0.0002776600000000 ] - [ 0.0000008800000000, 0.0000001000000000, 0.0006579600000000 ] - [ 0.0000000500000000, 0.0000000900000000, 0.0006580100000000 ] - [ -0.0000004100000000, 0.0000008500000000, 0.0006554100000000 ] - [ -0.0000004400000000, -0.0000006900000000, 0.0006605100000000 ] - [ 0.0000002100000000, -0.0000001800000000, 0.0002516200000000 ] - [ -0.0000002400000000, -0.0000001700000000, 0.0002515500000000 ] - [ 0.0000001300000000, -0.0000001600000000, 0.0002506700000000 ] - [ 0.0000001700000000, -0.0000001900000000, 0.0002525200000000 ] - [ -0.0000002700000000, 0.0000000700000000, 0.0003143100000000 ] - [ -0.0000009700000000, 0.0000000700000000, 0.0003143400000000 ] - [ -0.0000002200000000, 0.0000000700000000, 0.0003141600000000 ] - [ -0.0000002000000000, 0.0000001100000000, 0.0003144400000000 ] - [ -0.0000238500000000, -0.0000003700000000, 0.0010122700000000 ] - [ -0.0002393400000000, -0.0000003300000000, 0.0010105300000000 ] - [ -0.0000051400000000, -0.0000107500000000, 0.0010577700000000 ] - [ -0.0000051200000000, 0.0000107800000000, 0.0009653200000000 ] - [ -0.0000022500000000, -0.0000000500000000, -0.0004611500000000 ] - [ 0.0000011600000000, -0.0000000400000000, -0.0004612100000000 ] - [ -0.0000005300000000, -0.0000009900000000, -0.0004658300000000 ] - [ -0.0000005100000000, 0.0000009400000000, -0.0004565500000000 ] - [ 0.0002278400000000, -0.0000262200000000, 0.0014624300000000 ] - [ -0.0009405100000000, -0.0000032600000000, 0.0014865100000000 ] - [ 0.0059582700000000, -0.0033308100000000, 0.0095441200000000 ] - [ 0.0057085500000000, 0.0031431000000000, -0.0062959900000000 ] - [ 0.0001433300000000, -0.0000003800000000, 0.0013094700000000 ] - [ -0.0001121100000000, 0.0000000500000000, 0.0013092500000000 ] - [ -0.0000122100000000, 0.0000894500000000, 0.0013706500000000 ] - [ -0.0000116200000000, -0.0000898600000000, 0.0012482700000000 ] - [ -0.0000057300000000, 0.0000114300000000, -0.0005420900000000 ] - [ -0.0000057000000000, -0.0000117400000000, -0.0004507900000000 ] - [ -0.0002388400000000, 0.0000002000000000, -0.0004954400000000 ] - [ -0.0000257000000000, 0.0000002400000000, -0.0004971700000000 ] - [ 0.0000010600000000, -0.0000001600000000, -0.0001128900000000 ] - [ -0.0000022300000000, -0.0000002000000000, -0.0001127600000000 ] - [ 0.0000007500000000, -0.0000000400000000, -0.0001229500000000 ] - [ 0.0000007300000000, -0.0000003000000000, -0.0001027500000000 ] - [ 0.0059695500000000, 0.0033383200000000, -0.0093498400000000 ] - [ 0.0057195800000000, -0.0031504200000000, 0.0065201500000000 ] - [ -0.0009407500000000, 0.0000032000000000, -0.0012771700000000 ] - [ 0.0002260900000000, 0.0000261900000000, -0.0012530300000000 ] - [ 0.0000004400000000, -0.0000001100000000, -0.0000414700000000 ] - [ -0.0000008900000000, -0.0000001200000000, -0.0000414300000000 ] - [ -0.0000007300000000, -0.0000000300000000, -0.0000413500000000 ] - [ -0.0000007400000000, -0.0000002000000000, -0.0000413500000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0001441500000000 ] - [ 0.0000000000000000, 0.0000000900000000, 0.0001485400000000 ] - [ -0.0000000800000000, -0.0000000400000000, 0.0001485400000000 ] - [ 0.0000000800000000, -0.0000000400000000, 0.0001485400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001899800000000 ] - [ 0.0000000000000000, 0.0001964400000000, 0.0003940600000000 ] - [ -0.0001701200000000, -0.0000982200000000, 0.0003940600000000 ] - [ 0.0001701200000000, -0.0000982200000000, 0.0003940600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0325570200000000 ] - [ 0.0000000000000000, 0.0047175500000000, -0.0090138700000000 ] - [ -0.0040855200000000, -0.0023587700000000, -0.0090138700000000 ] - [ 0.0040855200000000, -0.0023587700000000, -0.0090138700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007569500000000 ] - [ 0.0000000000000000, 0.0001939900000000, 0.0009526500000000 ] - [ -0.0001680000000000, -0.0000969900000000, 0.0009526500000000 ] - [ 0.0001680000000000, -0.0000969900000000, 0.0009526500000000 ] - [ -0.0000002600000000, -0.0000001500000000, 0.0002347200000000 ] - [ 0.0000002600000000, -0.0000001500000000, 0.0002347200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002345800000000 ] - [ 0.0000000000000000, 0.0000003000000000, 0.0002347200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003567700000000 ] - [ 0.0000000000000000, -0.0000047200000000, -0.0003599700000000 ] - [ 0.0000040900000000, 0.0000023600000000, -0.0003599700000000 ] - [ -0.0000040900000000, 0.0000023600000000, -0.0003599700000000 ] - [ 0.0000046200000000, 0.0000026600000000, 0.0000781900000000 ] - [ -0.0000046200000000, 0.0000026600000000, 0.0000781900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000739500000000 ] - [ 0.0000000000000000, -0.0000053300000000, 0.0000781900000000 ] - [ 0.0000010000000000, 0.0000005800000000, -0.0007425500000000 ] - [ -0.0000010000000000, 0.0000005800000000, -0.0007425500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007440900000000 ] - [ 0.0000000000000000, -0.0000011500000000, -0.0007425500000000 ] - [ -0.0000939800000000, -0.0000542600000000, -0.0013011700000000 ] - [ 0.0000939800000000, -0.0000542600000000, -0.0013011700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012745000000000 ] - [ 0.0000000000000000, 0.0001085200000000, -0.0013011700000000 ] - [ 0.0000001700000000, 0.0000001000000000, -0.0004553600000000 ] - [ -0.0000001700000000, 0.0000001000000000, -0.0004553600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004563200000000 ] - [ 0.0000000000000000, -0.0000001900000000, -0.0004553600000000 ] - [ 0.0000000000000000, -0.0000017400000000, 0.0004753200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004794600000000 ] - [ -0.0000015100000000, 0.0000008700000000, 0.0004753200000000 ] - [ 0.0000015100000000, 0.0000008700000000, 0.0004753200000000 ] - [ 0.0000000000000000, -0.0000008800000000, 0.0000686200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000712100000000 ] - [ -0.0000007600000000, 0.0000004400000000, 0.0000686200000000 ] - [ 0.0000007600000000, 0.0000004400000000, 0.0000686200000000 ] - [ 0.0000000000000000, -0.0000003100000000, 0.0001314700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001306300000000 ] - [ -0.0000002700000000, 0.0000001500000000, 0.0001314700000000 ] - [ 0.0000002700000000, 0.0000001500000000, 0.0001314700000000 ] - [ 0.0000000000000000, -0.0000019200000000, 0.0009726600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006324700000000 ] - [ -0.0000016700000000, 0.0000009600000000, 0.0009726600000000 ] - [ 0.0000016700000000, 0.0000009600000000, 0.0009726600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006479700000000 ] - [ 0.0000000000000000, 0.0000007700000000, -0.0006370600000000 ] - [ -0.0000006700000000, -0.0000003900000000, -0.0006370600000000 ] - [ 0.0000006700000000, -0.0000003900000000, -0.0006370600000000 ] - [ 0.0000000000000000, 0.0072071600000000, 0.0105016600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0043960300000000 ] - [ 0.0062415800000000, -0.0036035800000000, 0.0105016600000000 ] - [ -0.0062415800000000, -0.0036035800000000, 0.0105016600000000 ] - [ 0.0000000000000000, 0.0001082100000000, 0.0011184400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011443500000000 ] - [ 0.0000937100000000, -0.0000541000000000, 0.0011184400000000 ] - [ -0.0000937100000000, -0.0000541000000000, 0.0011184400000000 ] - [ 0.0000020300000000, 0.0000011700000000, -0.0005338600000000 ] - [ -0.0000020300000000, 0.0000011700000000, -0.0005338600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008690600000000 ] - [ 0.0000000000000000, -0.0000023400000000, -0.0005338600000000 ] - [ 0.0000000000000000, 0.0000012600000000, -0.0002971700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002878500000000 ] - [ 0.0000010900000000, -0.0000006300000000, -0.0002971700000000 ] - [ -0.0000010900000000, -0.0000006300000000, -0.0002971700000000 ] - [ -0.0060538500000000, -0.0034951900000000, 0.0076579100000000 ] - [ 0.0060538500000000, -0.0034951900000000, 0.0076579100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016365800000000 ] - [ 0.0000000000000000, 0.0069903900000000, 0.0076579100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002192800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002190600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002190600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002190600000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005665600000000 ] - [ 0.0000000000000000, -0.0000001300000000, -0.0005716100000000 ] - [ 0.0000001100000000, 0.0000000600000000, -0.0005716100000000 ] - [ -0.0000001100000000, 0.0000000600000000, -0.0005716100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002611700000000 ] - [ 0.0000000000000000, -0.0001940000000000, -0.0004601100000000 ] - [ 0.0001680100000000, 0.0000970000000000, -0.0004601100000000 ] - [ -0.0001680100000000, 0.0000970000000000, -0.0004601100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0328712600000000 ] - [ 0.0000000000000000, -0.0047177000000000, 0.0093303800000000 ] - [ 0.0040856500000000, 0.0023588500000000, 0.0093303800000000 ] - [ -0.0040856500000000, 0.0023588500000000, 0.0093303800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003035700000000 ] - [ 0.0000000000000000, -0.0001964100000000, 0.0001017100000000 ] - [ 0.0001701000000000, 0.0000982100000000, 0.0001017100000000 ] - [ -0.0001701000000000, 0.0000982100000000, 0.0001017100000000 ] - [ 0.0000002900000000, 0.0000001700000000, -0.0004815300000000 ] - [ -0.0000002900000000, 0.0000001700000000, -0.0004815300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004814800000000 ] - [ 0.0000000000000000, -0.0000003300000000, -0.0004815300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010878900000000 ] - [ 0.0000000000000000, 0.0000047100000000, -0.0010826300000000 ] - [ -0.0000040800000000, -0.0000023500000000, -0.0010826300000000 ] - [ 0.0000040800000000, -0.0000023500000000, -0.0010826300000000 ] - [ -0.0000046400000000, -0.0000026800000000, -0.0006414500000000 ] - [ 0.0000046400000000, -0.0000026800000000, -0.0006414500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006372200000000 ] - [ 0.0000000000000000, 0.0000053600000000, -0.0006414500000000 ] - [ -0.0000010100000000, -0.0000005800000000, -0.0003868100000000 ] - [ 0.0000010100000000, -0.0000005800000000, -0.0003868100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003853400000000 ] - [ 0.0000000000000000, 0.0000011600000000, -0.0003868100000000 ] - [ 0.0000934200000000, 0.0000539400000000, -0.0009212600000000 ] - [ -0.0000934200000000, 0.0000539400000000, -0.0009212600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009466500000000 ] - [ 0.0000000000000000, -0.0001078800000000, -0.0009212600000000 ] - [ -0.0000001900000000, -0.0000001100000000, -0.0000976900000000 ] - [ 0.0000001900000000, -0.0000001100000000, -0.0000976900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000966700000000 ] - [ 0.0000000000000000, 0.0000002200000000, -0.0000976900000000 ] - [ 0.0000000000000000, 0.0000017500000000, 0.0008390100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008348400000000 ] - [ 0.0000015200000000, -0.0000008800000000, 0.0008390100000000 ] - [ -0.0000015200000000, -0.0000008800000000, 0.0008390100000000 ] - [ 0.0000000000000000, 0.0000008500000000, 0.0004320500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004294400000000 ] - [ 0.0000007300000000, -0.0000004200000000, 0.0004320500000000 ] - [ -0.0000007300000000, -0.0000004200000000, 0.0004320500000000 ] - [ 0.0000000000000000, 0.0000003000000000, 0.0004942300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004950600000000 ] - [ 0.0000002600000000, -0.0000001500000000, 0.0004942300000000 ] - [ -0.0000002600000000, -0.0000001500000000, 0.0004942300000000 ] - [ 0.0000000000000000, 0.0000015900000000, 0.0010480900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013836900000000 ] - [ 0.0000013700000000, -0.0000007900000000, 0.0010480900000000 ] - [ -0.0000013700000000, -0.0000007900000000, 0.0010480900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002721700000000 ] - [ 0.0000000000000000, -0.0000007800000000, -0.0002830400000000 ] - [ 0.0000006800000000, 0.0000003900000000, -0.0002830400000000 ] - [ -0.0000006800000000, 0.0000003900000000, -0.0002830400000000 ] - [ 0.0000000000000000, -0.0069792700000000, -0.0074433000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014300600000000 ] - [ -0.0060442300000000, 0.0034896400000000, -0.0074433000000000 ] - [ 0.0060442300000000, 0.0034896400000000, -0.0074433000000000 ] - [ 0.0000000000000000, -0.0001088300000000, 0.0014986500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014715500000000 ] - [ -0.0000942500000000, 0.0000544200000000, 0.0014986500000000 ] - [ 0.0000942500000000, 0.0000544200000000, 0.0014986500000000 ] - [ -0.0000022700000000, -0.0000013100000000, -0.0004574100000000 ] - [ 0.0000022700000000, -0.0000013100000000, -0.0004574100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001176300000000 ] - [ 0.0000000000000000, 0.0000026200000000, -0.0004574100000000 ] - [ 0.0000000000000000, -0.0000013000000000, 0.0000683600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000590300000000 ] - [ -0.0000011200000000, 0.0000006500000000, 0.0000683600000000 ] - [ 0.0000011200000000, 0.0000006500000000, 0.0000683600000000 ] - [ 0.0062513900000000, 0.0036092400000000, -0.0102981700000000 ] - [ -0.0062513900000000, 0.0036092400000000, -0.0102981700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041842100000000 ] - [ 0.0000000000000000, -0.0072184800000000, -0.0102981700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001393600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001389300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001389300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001389300000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000082800000000, -0.0000001000000000, -0.0002114800000000 ] - [ 0.0000083800000000, -0.0000000900000000, -0.0002114600000000 ] - [ -0.0000000500000000, -0.0000048700000000, -0.0002140900000000 ] - [ -0.0000000400000000, 0.0000049000000000, -0.0002088300000000 ] - [ 0.0000081200000000, 0.0000000700000000, -0.0000344200000000 ] - [ -0.0000081800000000, 0.0000000000000000, -0.0000344000000000 ] - [ 0.0000000100000000, 0.0000046600000000, -0.0000303400000000 ] - [ 0.0000000200000000, -0.0000048000000000, -0.0000384300000000 ] - [ -0.0000841800000000, -0.0000004600000000, 0.0001565900000000 ] - [ 0.0000836200000000, 0.0000004800000000, 0.0001574700000000 ] - [ 0.0000462600000000, -0.0000211600000000, -0.0000122500000000 ] - [ 0.0000479000000000, 0.0000210600000000, 0.0003258200000000 ] - [ -0.0337124300000000, -0.0000006100000000, 0.0005433200000000 ] - [ 0.0114414800000000, 0.0000008700000000, 0.0005266600000000 ] - [ 0.0003797700000000, -0.0063865900000000, -0.0035592400000000 ] - [ 0.0003794900000000, 0.0063855000000000, 0.0046137100000000 ] - [ -0.0000011400000000, 0.0000008500000000, -0.0001230900000000 ] - [ -0.0000012700000000, -0.0000007000000000, -0.0001232700000000 ] - [ -0.0000011900000000, -0.0000000400000000, -0.0001232200000000 ] - [ -0.0000025900000000, -0.0000001200000000, -0.0001231800000000 ] - [ 0.0000002900000000, 0.0000000700000000, -0.0007216200000000 ] - [ -0.0000008300000000, 0.0000000400000000, -0.0007216600000000 ] - [ -0.0000008300000000, 0.0000000300000000, -0.0007216000000000 ] - [ -0.0000008500000000, 0.0000000500000000, -0.0007217000000000 ] - [ 0.0000256700000000, 0.0001749900000000, -0.0005174100000000 ] - [ 0.0000254300000000, -0.0001750500000000, -0.0000442100000000 ] - [ 0.0002573200000000, 0.0000001100000000, -0.0002808900000000 ] - [ -0.0002775800000000, -0.0000000300000000, -0.0002811200000000 ] - [ -0.0000006300000000, 0.0000003300000000, -0.0005656000000000 ] - [ -0.0000006600000000, 0.0000003300000000, -0.0005674900000000 ] - [ -0.0000009500000000, 0.0000003100000000, -0.0005666100000000 ] - [ -0.0000007300000000, 0.0000002600000000, -0.0005665200000000 ] - [ -0.0000008200000000, 0.0000015700000000, -0.0011143900000000 ] - [ -0.0000008000000000, -0.0000012500000000, -0.0011109300000000 ] - [ 0.0000033500000000, 0.0000002000000000, -0.0011125800000000 ] - [ -0.0000032000000000, 0.0000002100000000, -0.0011126200000000 ] - [ -0.0000002400000000, 0.0000011900000000, -0.0002867900000000 ] - [ -0.0000002100000000, -0.0000007400000000, -0.0002691800000000 ] - [ -0.0000008300000000, 0.0000001700000000, -0.0002779000000000 ] - [ -0.0000019000000000, 0.0000002100000000, -0.0002780300000000 ] - [ -0.0001753200000000, 0.0000001500000000, 0.0006577800000000 ] - [ 0.0002030800000000, 0.0000000400000000, 0.0006581800000000 ] - [ -0.0000045300000000, -0.0000984200000000, 0.0006554600000000 ] - [ -0.0000047900000000, 0.0000986200000000, 0.0006605300000000 ] - [ 0.0000026500000000, -0.0000001700000000, 0.0002515800000000 ] - [ -0.0000016100000000, -0.0000001700000000, 0.0002514700000000 ] - [ -0.0000003400000000, 0.0000015300000000, 0.0002485300000000 ] - [ -0.0000003200000000, -0.0000018700000000, 0.0002545100000000 ] - [ -0.0000008500000000, 0.0000000700000000, 0.0003141400000000 ] - [ -0.0000008600000000, 0.0000000800000000, 0.0003141800000000 ] - [ -0.0000007100000000, 0.0000000200000000, 0.0003132300000000 ] - [ -0.0000006500000000, 0.0000001800000000, 0.0003150400000000 ] - [ 0.0000006700000000, -0.0000001800000000, 0.0010109600000000 ] - [ -0.0000026400000000, -0.0000001700000000, 0.0010109500000000 ] - [ 0.0000004100000000, 0.0000000500000000, 0.0010009000000000 ] - [ 0.0000003700000000, -0.0000003700000000, 0.0010212500000000 ] - [ -0.0000297100000000, -0.0000001900000000, -0.0004620300000000 ] - [ -0.0000824400000000, 0.0000000100000000, -0.0004617400000000 ] - [ 0.0000188000000000, 0.0000588400000000, -0.0007149200000000 ] - [ 0.0000190800000000, -0.0000582000000000, -0.0002092100000000 ] - [ -0.0000243600000000, -0.0000003300000000, 0.0014869600000000 ] - [ -0.0002394200000000, -0.0000003300000000, 0.0014851600000000 ] - [ -0.0000054900000000, -0.0000109000000000, 0.0015320300000000 ] - [ -0.0000054800000000, 0.0000109400000000, 0.0014400700000000 ] - [ 0.0002133500000000, -0.0000261400000000, 0.0012859300000000 ] - [ -0.0009381100000000, -0.0000033200000000, 0.0013101700000000 ] - [ 0.0058693900000000, -0.0032879800000000, 0.0093627700000000 ] - [ 0.0056194600000000, 0.0030998400000000, -0.0064675200000000 ] - [ 0.0059683500000000, 0.0033378900000000, -0.0085799500000000 ] - [ 0.0057181700000000, -0.0031500000000000, 0.0073101400000000 ] - [ -0.0009398800000000, 0.0000031200000000, -0.0004970200000000 ] - [ 0.0002256500000000, 0.0000261400000000, -0.0004728900000000 ] - [ -0.0000001700000000, -0.0000001500000000, -0.0001129600000000 ] - [ -0.0000009100000000, -0.0000001900000000, -0.0001128600000000 ] - [ -0.0000001400000000, -0.0000002400000000, -0.0001130600000000 ] - [ -0.0000001600000000, -0.0000000900000000, -0.0001128300000000 ] - [ -0.0000134300000000, -0.0000885300000000, -0.0013379800000000 ] - [ -0.0000127800000000, 0.0000888300000000, -0.0012155300000000 ] - [ -0.0001120800000000, -0.0000000800000000, -0.0012766400000000 ] - [ 0.0001404600000000, 0.0000002900000000, -0.0012768700000000 ] - [ 0.0000005800000000, -0.0000001000000000, -0.0000416700000000 ] - [ 0.0000005100000000, -0.0000001100000000, -0.0000409200000000 ] - [ -0.0000002500000000, -0.0000005600000000, -0.0000414300000000 ] - [ -0.0000002700000000, 0.0000003300000000, -0.0000409400000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0001425100000000 ] - [ 0.0000000000000000, 0.0000029900000000, 0.0001482100000000 ] - [ -0.0000025900000000, -0.0000015000000000, 0.0001482100000000 ] - [ 0.0000025900000000, -0.0000015000000000, 0.0001482100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003387600000000 ] - [ 0.0000000000000000, -0.0000047100000000, 0.0003261400000000 ] - [ 0.0000040800000000, 0.0000023600000000, 0.0003261400000000 ] - [ -0.0000040800000000, 0.0000023600000000, 0.0003261400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003841000000000 ] - [ 0.0000000000000000, 0.0001955100000000, 0.0005835200000000 ] - [ -0.0001693200000000, -0.0000977600000000, 0.0005835200000000 ] - [ 0.0001693200000000, -0.0000977600000000, 0.0005835200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0323092500000000 ] - [ 0.0000000000000000, 0.0047188300000000, -0.0086355000000000 ] - [ -0.0040866200000000, -0.0023594100000000, -0.0086355000000000 ] - [ 0.0040866200000000, -0.0023594100000000, -0.0086355000000000 ] - [ 0.0000003100000000, 0.0000001800000000, 0.0002343300000000 ] - [ -0.0000003100000000, 0.0000001800000000, 0.0002343300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002342000000000 ] - [ 0.0000000000000000, -0.0000003600000000, 0.0002343300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003576400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003608700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003608700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003608700000000 ] - [ 0.0000640500000000, 0.0000369800000000, 0.0001240900000000 ] - [ -0.0000640500000000, 0.0000369800000000, 0.0001240900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000165500000000 ] - [ 0.0000000000000000, -0.0000739600000000, 0.0001240900000000 ] - [ 0.0000008800000000, 0.0000005100000000, -0.0007445800000000 ] - [ -0.0000008800000000, 0.0000005100000000, -0.0007445800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007420700000000 ] - [ 0.0000000000000000, -0.0000010100000000, -0.0007445800000000 ] - [ 0.0000011000000000, 0.0000006400000000, -0.0012927500000000 ] - [ -0.0000011000000000, 0.0000006400000000, -0.0012927500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012943600000000 ] - [ 0.0000000000000000, -0.0000012700000000, -0.0012927500000000 ] - [ 0.0000007500000000, 0.0000004300000000, -0.0004548100000000 ] - [ -0.0000007500000000, 0.0000004300000000, -0.0004548100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004608000000000 ] - [ 0.0000000000000000, -0.0000008700000000, -0.0004548100000000 ] - [ 0.0000000000000000, -0.0000813400000000, 0.0004893900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004426100000000 ] - [ -0.0000704400000000, 0.0000406700000000, 0.0004893900000000 ] - [ 0.0000704400000000, 0.0000406700000000, 0.0004893900000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0000733100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000771000000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0000733100000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0000733100000000 ] - [ 0.0000000000000000, -0.0000010100000000, 0.0001358100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001384300000000 ] - [ -0.0000008700000000, 0.0000005000000000, 0.0001358100000000 ] - [ 0.0000008700000000, 0.0000005000000000, 0.0001358100000000 ] - [ 0.0000000000000000, 0.0000012700000000, 0.0008319400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008412700000000 ] - [ 0.0000011000000000, -0.0000006400000000, 0.0008319400000000 ] - [ -0.0000011000000000, -0.0000006400000000, 0.0008319400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006474900000000 ] - [ 0.0000000000000000, -0.0000120900000000, -0.0005297000000000 ] - [ 0.0000104700000000, 0.0000060500000000, -0.0005297000000000 ] - [ -0.0000104700000000, 0.0000060500000000, -0.0005297000000000 ] - [ 0.0000000000000000, -0.0000022400000000, 0.0014517600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011136200000000 ] - [ -0.0000019400000000, 0.0000011200000000, 0.0014517600000000 ] - [ 0.0000019400000000, 0.0000011200000000, 0.0014517600000000 ] - [ 0.0000000000000000, 0.0071076000000000, 0.0103178900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042048700000000 ] - [ 0.0061553600000000, -0.0035538000000000, 0.0103178900000000 ] - [ -0.0061553600000000, -0.0035538000000000, 0.0103178900000000 ] - [ -0.0060646900000000, -0.0035014500000000, 0.0084372200000000 ] - [ 0.0060646900000000, -0.0035014500000000, 0.0084372200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023942600000000 ] - [ 0.0000000000000000, 0.0070029000000000, 0.0084372200000000 ] - [ 0.0000000000000000, -0.0000002000000000, -0.0002922200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002929300000000 ] - [ -0.0000001700000000, 0.0000001000000000, -0.0002922200000000 ] - [ 0.0000001700000000, 0.0000001000000000, -0.0002922200000000 ] - [ -0.0000936300000000, -0.0000540600000000, -0.0014672500000000 ] - [ 0.0000936300000000, -0.0000540600000000, -0.0014672500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014409200000000 ] - [ 0.0000000000000000, 0.0001081100000000, -0.0014672500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002218000000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0002185600000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0002185600000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0002185600000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005651200000000 ] - [ 0.0000000000000000, -0.0000029900000000, -0.0005701900000000 ] - [ 0.0000025900000000, 0.0000014900000000, -0.0005701900000000 ] - [ -0.0000025900000000, 0.0000014900000000, -0.0005701900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004061300000000 ] - [ 0.0000000000000000, 0.0000046900000000, -0.0003928200000000 ] - [ -0.0000040600000000, -0.0000023400000000, -0.0003928200000000 ] - [ 0.0000040600000000, -0.0000023400000000, -0.0003928200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000690700000000 ] - [ 0.0000000000000000, -0.0001931100000000, -0.0002671600000000 ] - [ 0.0001672400000000, 0.0000965500000000, -0.0002671600000000 ] - [ -0.0001672400000000, 0.0000965500000000, -0.0002671600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0333108500000000 ] - [ 0.0000000000000000, -0.0047192100000000, 0.0096925900000000 ] - [ 0.0040869600000000, 0.0023596100000000, 0.0096925900000000 ] - [ -0.0040869600000000, 0.0023596100000000, 0.0096925900000000 ] - [ -0.0000002400000000, -0.0000001400000000, -0.0004800300000000 ] - [ 0.0000002400000000, -0.0000001400000000, -0.0004800300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004798500000000 ] - [ 0.0000000000000000, 0.0000002800000000, -0.0004800300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010850900000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0010813700000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0010813700000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0010813700000000 ] - [ -0.0000619100000000, -0.0000357500000000, -0.0006857700000000 ] - [ 0.0000619100000000, -0.0000357500000000, -0.0006857700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005462300000000 ] - [ 0.0000000000000000, 0.0000714900000000, -0.0006857700000000 ] - [ -0.0000008700000000, -0.0000005000000000, -0.0003867000000000 ] - [ 0.0000008700000000, -0.0000005000000000, -0.0003867000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003893100000000 ] - [ 0.0000000000000000, 0.0000010000000000, -0.0003867000000000 ] - [ -0.0000010600000000, -0.0000006100000000, -0.0009326200000000 ] - [ 0.0000010600000000, -0.0000006100000000, -0.0009326200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009311000000000 ] - [ 0.0000000000000000, 0.0000012300000000, -0.0009326200000000 ] - [ -0.0000008000000000, -0.0000004600000000, -0.0001011900000000 ] - [ 0.0000008000000000, -0.0000004600000000, -0.0001011900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000952100000000 ] - [ 0.0000000000000000, 0.0000009300000000, -0.0001011900000000 ] - [ 0.0000000000000000, 0.0000807800000000, 0.0008284800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008765200000000 ] - [ 0.0000699500000000, -0.0000403900000000, 0.0008284800000000 ] - [ -0.0000699500000000, -0.0000403900000000, 0.0008284800000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0004314600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004276500000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0004314600000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0004314600000000 ] - [ 0.0000000000000000, 0.0000009900000000, 0.0004938900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004913400000000 ] - [ 0.0000008600000000, -0.0000004900000000, 0.0004938900000000 ] - [ -0.0000008600000000, -0.0000004900000000, 0.0004938900000000 ] - [ 0.0000000000000000, -0.0000012400000000, 0.0011915000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011822200000000 ] - [ -0.0000010700000000, 0.0000006200000000, 0.0011915000000000 ] - [ 0.0000010700000000, 0.0000006200000000, 0.0011915000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002774400000000 ] - [ 0.0000000000000000, 0.0000125700000000, -0.0003920600000000 ] - [ -0.0000108900000000, -0.0000062900000000, -0.0003920600000000 ] - [ 0.0000108900000000, -0.0000062900000000, -0.0003920600000000 ] - [ 0.0000000000000000, 0.0000020300000000, 0.0015228200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018566000000000 ] - [ 0.0000017600000000, -0.0000010100000000, 0.0015228200000000 ] - [ -0.0000017600000000, -0.0000010100000000, 0.0015228200000000 ] - [ 0.0000000000000000, -0.0068798600000000, -0.0076070300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015862900000000 ] - [ -0.0059581400000000, 0.0034399300000000, -0.0076070300000000 ] - [ 0.0059581400000000, 0.0034399300000000, -0.0076070300000000 ] - [ 0.0062627500000000, 0.0036158000000000, -0.0095209200000000 ] - [ -0.0062627500000000, 0.0036158000000000, -0.0095209200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033858600000000 ] - [ 0.0000000000000000, -0.0072316000000000, -0.0095209200000000 ] - [ 0.0000000000000000, 0.0000002400000000, 0.0000663100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000670900000000 ] - [ 0.0000002100000000, -0.0000001200000000, 0.0000663100000000 ] - [ -0.0000002100000000, -0.0000001200000000, 0.0000663100000000 ] - [ 0.0000931100000000, 0.0000537600000000, -0.0010868700000000 ] - [ -0.0000931100000000, 0.0000537600000000, -0.0010868700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011120300000000 ] - [ 0.0000000000000000, -0.0001075100000000, -0.0010868700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001388700000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0001369000000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0001369000000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0001369000000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000247900000000, 0.0001753100000000, -0.0001481500000000 ] - [ 0.0000266600000000, -0.0001752400000000, -0.0002741100000000 ] - [ 0.0002577500000000, -0.0000006300000000, -0.0002114000000000 ] - [ -0.0002778300000000, 0.0000005200000000, -0.0002106500000000 ] - [ -0.0000013800000000, -0.0000053300000000, -0.0000368900000000 ] - [ -0.0000012200000000, 0.0000053200000000, -0.0000311500000000 ] - [ -0.0000103500000000, -0.0000001100000000, -0.0000340600000000 ] - [ 0.0000079500000000, -0.0000000200000000, -0.0000339700000000 ] - [ -0.0000012000000000, 0.0000006300000000, 0.0001571500000000 ] - [ -0.0000011400000000, -0.0000007300000000, 0.0001577500000000 ] - [ -0.0000013300000000, -0.0000000300000000, 0.0001574300000000 ] - [ -0.0000023200000000, 0.0000000000000000, 0.0001574500000000 ] - [ -0.0000012400000000, 0.0000008500000000, 0.0005280400000000 ] - [ -0.0000012400000000, -0.0000008900000000, 0.0005272600000000 ] - [ -0.0000011300000000, -0.0000000500000000, 0.0005276500000000 ] - [ -0.0000026500000000, -0.0000000200000000, 0.0005276700000000 ] - [ -0.0336880300000000, 0.0000008700000000, -0.0001377600000000 ] - [ 0.0114399700000000, 0.0000009900000000, -0.0001232200000000 ] - [ 0.0003804100000000, -0.0063852900000000, 0.0039611600000000 ] - [ 0.0003802400000000, 0.0063841500000000, -0.0042064400000000 ] - [ 0.0000253300000000, 0.0001750200000000, -0.0004838000000000 ] - [ 0.0000257200000000, -0.0001748100000000, -0.0009582000000000 ] - [ 0.0002574000000000, -0.0000000600000000, -0.0007211300000000 ] - [ -0.0002774500000000, 0.0000001700000000, -0.0007213300000000 ] - [ -0.0000084000000000, 0.0000000600000000, -0.0002804500000000 ] - [ 0.0000082600000000, 0.0000000600000000, -0.0002805100000000 ] - [ -0.0000001500000000, -0.0000048100000000, -0.0002778800000000 ] - [ -0.0000001000000000, 0.0000049000000000, -0.0002830800000000 ] - [ -0.0000291600000000, 0.0000003900000000, -0.0005666300000000 ] - [ -0.0000825000000000, 0.0000003200000000, -0.0005663700000000 ] - [ 0.0000186200000000, 0.0000582500000000, -0.0003146400000000 ] - [ 0.0000183500000000, -0.0000583700000000, -0.0008187300000000 ] - [ 0.0000009500000000, 0.0000001600000000, -0.0011123200000000 ] - [ -0.0000029200000000, 0.0000001400000000, -0.0011122400000000 ] - [ -0.0000012700000000, 0.0000011400000000, -0.0011231200000000 ] - [ -0.0000012600000000, -0.0000007400000000, -0.0011013500000000 ] - [ 0.0000041700000000, 0.0000001200000000, -0.0002774200000000 ] - [ 0.0000055400000000, 0.0000004100000000, -0.0002778400000000 ] - [ -0.0000225700000000, -0.0000159300000000, -0.0004365900000000 ] - [ -0.0000220000000000, 0.0000162500000000, -0.0001184200000000 ] - [ -0.0000001700000000, -0.0000001600000000, 0.0006530600000000 ] - [ -0.0000001700000000, 0.0000003700000000, 0.0006632100000000 ] - [ -0.0000006000000000, 0.0000000900000000, 0.0006580900000000 ] - [ -0.0000022900000000, 0.0000000600000000, 0.0006581700000000 ] - [ 0.0000037500000000, -0.0000311700000000, 0.0002167400000000 ] - [ 0.0000036100000000, 0.0000305900000000, 0.0002874900000000 ] - [ -0.0000498100000000, -0.0000000400000000, 0.0002528600000000 ] - [ -0.0001466500000000, -0.0000001500000000, 0.0002511400000000 ] - [ 0.0056117700000000, -0.0030948500000000, -0.0074534400000000 ] - [ 0.0058615500000000, 0.0032826400000000, 0.0083588600000000 ] - [ 0.0002145500000000, 0.0000260300000000, 0.0002912400000000 ] - [ -0.0009364600000000, 0.0000032500000000, 0.0003153400000000 ] - [ -0.0000003300000000, 0.0000017600000000, 0.0010087100000000 ] - [ -0.0000003300000000, -0.0000021100000000, 0.0010138900000000 ] - [ 0.0000030600000000, -0.0000001300000000, 0.0010114200000000 ] - [ -0.0000020500000000, -0.0000001900000000, 0.0010113700000000 ] - [ -0.0000003200000000, -0.0000012300000000, -0.0004650900000000 ] - [ -0.0000002900000000, 0.0000011400000000, -0.0004571700000000 ] - [ -0.0000005200000000, -0.0000000100000000, -0.0004610800000000 ] - [ 0.0000017500000000, -0.0000000100000000, -0.0004612100000000 ] - [ -0.0000001800000000, -0.0000001600000000, 0.0014869000000000 ] - [ -0.0000002200000000, -0.0000001800000000, 0.0014850000000000 ] - [ -0.0000001800000000, -0.0000001700000000, 0.0014858800000000 ] - [ -0.0000005900000000, -0.0000001500000000, 0.0014859200000000 ] - [ -0.0000001500000000, -0.0000001600000000, 0.0013095900000000 ] - [ -0.0000001200000000, -0.0000001800000000, 0.0013092100000000 ] - [ -0.0000000700000000, -0.0000001700000000, 0.0013094100000000 ] - [ -0.0000009700000000, -0.0000001800000000, 0.0013095000000000 ] - [ -0.0000006000000000, 0.0000000500000000, -0.0004959700000000 ] - [ -0.0000017600000000, 0.0000000100000000, -0.0004959400000000 ] - [ -0.0000016800000000, 0.0000001000000000, -0.0004959600000000 ] - [ -0.0000016400000000, 0.0000000200000000, -0.0004957600000000 ] - [ -0.0000043900000000, -0.0000980200000000, -0.0001098900000000 ] - [ -0.0000041500000000, 0.0000976400000000, -0.0001152500000000 ] - [ -0.0001737500000000, -0.0000002500000000, -0.0001127300000000 ] - [ 0.0002020300000000, -0.0000000700000000, -0.0001124900000000 ] - [ -0.0000000800000000, 0.0000001100000000, -0.0012762800000000 ] - [ 0.0000001000000000, 0.0000001200000000, -0.0012755500000000 ] - [ -0.0000007900000000, -0.0000003900000000, -0.0012758600000000 ] - [ -0.0000008100000000, 0.0000006200000000, -0.0012760500000000 ] - [ 0.0057215200000000, 0.0031490600000000, 0.0077533200000000 ] - [ 0.0059715000000000, -0.0033370200000000, -0.0081128000000000 ] - [ -0.0009367200000000, -0.0000031800000000, -0.0000418100000000 ] - [ 0.0002303900000000, -0.0000262300000000, -0.0000177100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002379000000000, -0.0001373500000000, 0.0001933900000000 ] - [ 0.0002379000000000, -0.0001373500000000, 0.0001933900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000521500000000 ] - [ 0.0000000000000000, 0.0002747000000000, 0.0001933900000000 ] - [ 0.0000038600000000, 0.0000022300000000, 0.0003253100000000 ] - [ -0.0000038600000000, 0.0000022300000000, 0.0003253100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003280800000000 ] - [ 0.0000000000000000, -0.0000044500000000, 0.0003253100000000 ] - [ -0.0000002800000000, -0.0000001600000000, 0.0005165000000000 ] - [ 0.0000002800000000, -0.0000001600000000, 0.0005165000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005164400000000 ] - [ 0.0000000000000000, 0.0000003200000000, 0.0005165000000000 ] - [ 0.0000001100000000, 0.0000000600000000, 0.0008841500000000 ] - [ -0.0000001100000000, 0.0000000600000000, 0.0008841500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008839500000000 ] - [ 0.0000000000000000, -0.0000001300000000, 0.0008841500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0328755000000000 ] - [ 0.0000000000000000, -0.0047158600000000, -0.0092899900000000 ] - [ 0.0040840500000000, 0.0023579300000000, -0.0092899900000000 ] - [ -0.0040840500000000, 0.0023579300000000, -0.0092899900000000 ] - [ -0.0000639300000000, -0.0000369100000000, -0.0003148600000000 ] - [ 0.0000639300000000, -0.0000369100000000, -0.0003148600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004558800000000 ] - [ 0.0000000000000000, 0.0000738200000000, -0.0003148600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000789900000000 ] - [ 0.0000000000000000, -0.0000030300000000, 0.0000775600000000 ] - [ 0.0000026200000000, 0.0000015100000000, 0.0000775600000000 ] - [ -0.0000026200000000, 0.0000015100000000, 0.0000775600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007480300000000 ] - [ 0.0000000000000000, 0.0000122500000000, -0.0006314600000000 ] - [ -0.0000106100000000, -0.0000061200000000, -0.0006314600000000 ] - [ 0.0000106100000000, -0.0000061200000000, -0.0006314600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012853200000000 ] - [ 0.0000000000000000, 0.0000004800000000, -0.0012934300000000 ] - [ -0.0000004100000000, -0.0000002400000000, -0.0012934300000000 ] - [ 0.0000004100000000, -0.0000002400000000, -0.0012934300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003345900000000 ] - [ 0.0000000000000000, 0.0000574600000000, -0.0005002400000000 ] - [ -0.0000497600000000, -0.0000287300000000, -0.0005002400000000 ] - [ 0.0000497600000000, -0.0000287300000000, -0.0005002400000000 ] - [ 0.0000005900000000, -0.0000003400000000, 0.0004775900000000 ] - [ -0.0000005900000000, -0.0000003400000000, 0.0004775900000000 ] - [ 0.0000000000000000, 0.0000006900000000, 0.0004775900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004772900000000 ] - [ 0.0000137700000000, -0.0000079500000000, 0.0002175400000000 ] - [ -0.0000137700000000, -0.0000079500000000, 0.0002175400000000 ] - [ 0.0000000000000000, 0.0000159000000000, 0.0002175400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001281600000000 ] - [ -0.0061473900000000, 0.0035492000000000, 0.0093175200000000 ] - [ 0.0061473900000000, 0.0035492000000000, 0.0093175200000000 ] - [ 0.0000000000000000, -0.0070984000000000, 0.0093175200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032059000000000 ] - [ -0.0000013000000000, 0.0000007500000000, 0.0008301600000000 ] - [ 0.0000013000000000, 0.0000007500000000, 0.0008301600000000 ] - [ 0.0000000000000000, -0.0000015000000000, 0.0008301600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008297100000000 ] - [ -0.0000007300000000, -0.0000004200000000, -0.0006382800000000 ] - [ 0.0000007300000000, -0.0000004200000000, -0.0006382800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006332100000000 ] - [ 0.0000000000000000, 0.0000008500000000, -0.0006382800000000 ] - [ 0.0000008300000000, -0.0000004800000000, 0.0013040400000000 ] - [ -0.0000008300000000, -0.0000004800000000, 0.0013040400000000 ] - [ 0.0000000000000000, 0.0000009600000000, 0.0013040400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013066700000000 ] - [ 0.0000002500000000, -0.0000001400000000, 0.0011281300000000 ] - [ -0.0000002500000000, -0.0000001400000000, 0.0011281300000000 ] - [ 0.0000000000000000, 0.0000002800000000, 0.0011281300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011270900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006745500000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0006745500000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0006745500000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0006745500000000 ] - [ 0.0000699000000000, -0.0000403600000000, -0.0002860400000000 ] - [ -0.0000699000000000, -0.0000403600000000, -0.0002860400000000 ] - [ 0.0000000000000000, 0.0000807100000000, -0.0002860400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003330700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014561100000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0014526900000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0014526900000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0014526900000000 ] - [ 0.0060655900000000, 0.0035019700000000, 0.0088942900000000 ] - [ -0.0060655900000000, 0.0035019700000000, 0.0088942900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028642100000000 ] - [ 0.0000000000000000, -0.0070039400000000, 0.0088942900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002362200000000, 0.0001363800000000, -0.0006167000000000 ] - [ -0.0002362200000000, 0.0001363800000000, -0.0006167000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004776800000000 ] - [ 0.0000000000000000, -0.0002727600000000, -0.0006167000000000 ] - [ -0.0000038500000000, -0.0000022200000000, -0.0003924600000000 ] - [ 0.0000038500000000, -0.0000022200000000, -0.0003924600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003952500000000 ] - [ 0.0000000000000000, 0.0000044500000000, -0.0003924600000000 ] - [ 0.0000002600000000, 0.0000001500000000, -0.0002010300000000 ] - [ -0.0000002600000000, 0.0000001500000000, -0.0002010300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002009200000000 ] - [ 0.0000000000000000, -0.0000003000000000, -0.0002010300000000 ] - [ -0.0000001200000000, -0.0000000700000000, 0.0001698600000000 ] - [ 0.0000001200000000, -0.0000000700000000, 0.0001698600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001699900000000 ] - [ 0.0000000000000000, 0.0000001400000000, 0.0001698600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0326844300000000 ] - [ 0.0000000000000000, 0.0047161000000000, 0.0090421500000000 ] - [ -0.0040842600000000, -0.0023580500000000, 0.0090421500000000 ] - [ 0.0040842600000000, -0.0023580500000000, 0.0090421500000000 ] - [ 0.0000618200000000, 0.0000356900000000, -0.0011282200000000 ] - [ -0.0000618200000000, 0.0000356900000000, -0.0011282200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009883100000000 ] - [ 0.0000000000000000, -0.0000713900000000, -0.0011282200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006442300000000 ] - [ 0.0000000000000000, 0.0000030300000000, -0.0006417000000000 ] - [ -0.0000026200000000, -0.0000015100000000, -0.0006417000000000 ] - [ 0.0000026200000000, -0.0000015100000000, -0.0006417000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003837200000000 ] - [ 0.0000000000000000, -0.0000127500000000, -0.0004971300000000 ] - [ 0.0000110400000000, 0.0000063800000000, -0.0004971300000000 ] - [ -0.0000110400000000, 0.0000063800000000, -0.0004971300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009374900000000 ] - [ 0.0000000000000000, -0.0000004500000000, -0.0009291900000000 ] - [ 0.0000003900000000, 0.0000002300000000, -0.0009291900000000 ] - [ -0.0000003900000000, 0.0000002300000000, -0.0009291900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002189000000000 ] - [ 0.0000000000000000, -0.0000565800000000, -0.0000534900000000 ] - [ 0.0000490000000000, 0.0000282900000000, -0.0000534900000000 ] - [ -0.0000490000000000, 0.0000282900000000, -0.0000534900000000 ] - [ -0.0000006000000000, 0.0000003500000000, 0.0008358000000000 ] - [ 0.0000006000000000, 0.0000003500000000, 0.0008358000000000 ] - [ 0.0000000000000000, -0.0000006900000000, 0.0008358000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008361700000000 ] - [ -0.0000134100000000, 0.0000077500000000, 0.0002836100000000 ] - [ 0.0000134100000000, 0.0000077500000000, 0.0002836100000000 ] - [ 0.0000000000000000, -0.0000154900000000, 0.0002836100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006245800000000 ] - [ 0.0059502200000000, -0.0034353600000000, -0.0086035800000000 ] - [ -0.0059502200000000, -0.0034353600000000, -0.0086035800000000 ] - [ 0.0000000000000000, 0.0068707200000000, -0.0086035800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025842500000000 ] - [ 0.0000013200000000, -0.0000007600000000, 0.0011881900000000 ] - [ -0.0000013200000000, -0.0000007600000000, 0.0011881900000000 ] - [ 0.0000000000000000, 0.0000015200000000, 0.0011881900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011886800000000 ] - [ 0.0000007100000000, 0.0000004100000000, -0.0002824400000000 ] - [ -0.0000007100000000, 0.0000004100000000, -0.0002824400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002875300000000 ] - [ 0.0000000000000000, -0.0000008200000000, -0.0002824400000000 ] - [ -0.0000008100000000, 0.0000004700000000, 0.0016640800000000 ] - [ 0.0000008100000000, 0.0000004700000000, 0.0016640800000000 ] - [ 0.0000000000000000, -0.0000009300000000, 0.0016640800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016614800000000 ] - [ -0.0000002500000000, 0.0000001500000000, 0.0014876300000000 ] - [ 0.0000002500000000, 0.0000001500000000, 0.0014876300000000 ] - [ 0.0000000000000000, -0.0000002900000000, 0.0014876300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014886800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003157300000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0003159800000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0003159800000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0003159800000000 ] - [ -0.0000694100000000, 0.0000400700000000, 0.0000558300000000 ] - [ 0.0000694100000000, 0.0000400700000000, 0.0000558300000000 ] - [ 0.0000000000000000, -0.0000801400000000, 0.0000558300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001041600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010948800000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0010969900000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0010969900000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0010969900000000 ] - [ -0.0062633300000000, -0.0036161300000000, -0.0090640500000000 ] - [ 0.0062633300000000, -0.0036161300000000, -0.0090640500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029418900000000 ] - [ 0.0000000000000000, 0.0072322700000000, -0.0090640500000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000086200000000, -0.0000000800000000, -0.0002111900000000 ] - [ 0.0000085800000000, -0.0000000800000000, -0.0002113000000000 ] - [ 0.0000001200000000, -0.0000048900000000, -0.0002139300000000 ] - [ 0.0000001800000000, 0.0000048800000000, -0.0002086800000000 ] - [ -0.0000832700000000, 0.0000003600000000, -0.0000339500000000 ] - [ 0.0000841100000000, -0.0000004900000000, -0.0000347400000000 ] - [ 0.0000480100000000, -0.0000213000000000, -0.0002031000000000 ] - [ 0.0000465500000000, 0.0000212300000000, 0.0001349400000000 ] - [ 0.0000084700000000, -0.0000001100000000, 0.0001570700000000 ] - [ -0.0000081000000000, -0.0000000300000000, 0.0001571800000000 ] - [ 0.0000000800000000, 0.0000047300000000, 0.0001612200000000 ] - [ 0.0000002300000000, -0.0000047600000000, 0.0001530600000000 ] - [ 0.0000004700000000, 0.0000000600000000, 0.0005272400000000 ] - [ -0.0000007700000000, -0.0000001000000000, 0.0005273300000000 ] - [ -0.0000006900000000, -0.0000000300000000, 0.0005273900000000 ] - [ -0.0000007400000000, -0.0000000400000000, 0.0005273000000000 ] - [ 0.0000265600000000, 0.0001748400000000, -0.0001860300000000 ] - [ 0.0000247500000000, -0.0001749200000000, -0.0000602400000000 ] - [ 0.0002574900000000, 0.0000005200000000, -0.0001233900000000 ] - [ -0.0002772800000000, -0.0000005800000000, -0.0001226700000000 ] - [ -0.0337400400000000, 0.0000005700000000, -0.0007172900000000 ] - [ 0.0114434400000000, 0.0000009600000000, -0.0007219100000000 ] - [ 0.0003821900000000, -0.0063862500000000, -0.0048034800000000 ] - [ 0.0003819100000000, 0.0063852800000000, 0.0033607200000000 ] - [ -0.0000010900000000, 0.0000008100000000, -0.0002811100000000 ] - [ -0.0000010500000000, -0.0000007400000000, -0.0002804700000000 ] - [ -0.0000010500000000, 0.0000000300000000, -0.0002807700000000 ] - [ -0.0000023900000000, 0.0000000700000000, -0.0002807700000000 ] - [ 0.0059654000000000, 0.0033330800000000, -0.0086223100000000 ] - [ 0.0057156600000000, -0.0031449800000000, 0.0072129000000000 ] - [ -0.0009380200000000, 0.0000033800000000, -0.0005671400000000 ] - [ 0.0002312600000000, 0.0000263400000000, -0.0005430000000000 ] - [ -0.0000059000000000, 0.0000111600000000, -0.0011584800000000 ] - [ -0.0000058400000000, -0.0000112300000000, -0.0010671400000000 ] - [ -0.0002385100000000, 0.0000003500000000, -0.0011117900000000 ] - [ -0.0000252000000000, 0.0000003900000000, -0.0011135500000000 ] - [ -0.0000007100000000, -0.0000009800000000, -0.0002738400000000 ] - [ -0.0000007000000000, 0.0000014000000000, -0.0002817000000000 ] - [ -0.0000009100000000, 0.0000001700000000, -0.0002777200000000 ] - [ 0.0000013600000000, 0.0000001900000000, -0.0002778300000000 ] - [ -0.0000003800000000, 0.0000000900000000, 0.0006580400000000 ] - [ -0.0000012500000000, 0.0000000800000000, 0.0006580900000000 ] - [ -0.0000003900000000, 0.0000001000000000, 0.0006577800000000 ] - [ -0.0000004100000000, 0.0000000500000000, 0.0006583100000000 ] - [ 0.0000000400000000, -0.0000001800000000, 0.0002516800000000 ] - [ -0.0000016600000000, -0.0000001700000000, 0.0002516000000000 ] - [ 0.0000004700000000, -0.0000004500000000, 0.0002566200000000 ] - [ 0.0000004900000000, 0.0000000900000000, 0.0002466600000000 ] - [ -0.0000496800000000, -0.0000000700000000, 0.0003154000000000 ] - [ -0.0001458700000000, 0.0000000700000000, 0.0003136300000000 ] - [ 0.0000032900000000, -0.0000304000000000, 0.0003502100000000 ] - [ 0.0000034000000000, 0.0000308100000000, 0.0002789400000000 ] - [ 0.0001413200000000, -0.0000003900000000, 0.0010112400000000 ] - [ -0.0001114700000000, 0.0000000200000000, 0.0010109500000000 ] - [ -0.0000126000000000, 0.0000885600000000, 0.0010726200000000 ] - [ -0.0000120200000000, -0.0000889300000000, 0.0009499000000000 ] - [ 0.0000001700000000, -0.0000000400000000, -0.0004614000000000 ] - [ -0.0000009100000000, -0.0000000400000000, -0.0004614000000000 ] - [ -0.0000008600000000, 0.0000000100000000, -0.0004612400000000 ] - [ -0.0000008500000000, -0.0000000600000000, -0.0004615800000000 ] - [ -0.0000024900000000, -0.0000001600000000, 0.0014858800000000 ] - [ 0.0000040300000000, -0.0000001800000000, 0.0014858500000000 ] - [ -0.0000000900000000, -0.0000015700000000, 0.0014874400000000 ] - [ -0.0000001300000000, 0.0000012200000000, 0.0014841600000000 ] - [ -0.0000001300000000, -0.0000002000000000, 0.0013092700000000 ] - [ -0.0000003200000000, -0.0000001700000000, 0.0013093400000000 ] - [ -0.0000000400000000, -0.0000002100000000, 0.0013083500000000 ] - [ -0.0000000300000000, -0.0000001500000000, 0.0013103800000000 ] - [ -0.0000005100000000, 0.0000000800000000, -0.0004960300000000 ] - [ -0.0000005300000000, -0.0000000400000000, -0.0004962900000000 ] - [ -0.0000012900000000, 0.0000000500000000, -0.0004960600000000 ] - [ -0.0000005500000000, 0.0000000600000000, -0.0004960600000000 ] - [ 0.0002294700000000, -0.0000261800000000, -0.0001361300000000 ] - [ -0.0009386200000000, -0.0000032800000000, -0.0001119700000000 ] - [ 0.0059493100000000, -0.0033247100000000, 0.0079350500000000 ] - [ 0.0056997400000000, 0.0031371500000000, -0.0078841500000000 ] - [ 0.0000000200000000, -0.0000000600000000, -0.0012664100000000 ] - [ 0.0000000500000000, 0.0000003000000000, -0.0012866400000000 ] - [ -0.0000029600000000, 0.0000001200000000, -0.0012765900000000 ] - [ 0.0000003200000000, 0.0000000900000000, -0.0012765100000000 ] - [ 0.0000049800000000, 0.0000000000000000, -0.0000413500000000 ] - [ 0.0000060200000000, -0.0000003000000000, -0.0000417800000000 ] - [ -0.0000212300000000, -0.0000159900000000, 0.0001174100000000 ] - [ -0.0000217900000000, 0.0000158100000000, -0.0002000600000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0001505000000000 ] - [ 0.0000000000000000, 0.0000030000000000, 0.0001491800000000 ] - [ -0.0000026000000000, -0.0000015000000000, 0.0001491800000000 ] - [ 0.0000026000000000, -0.0000015000000000, 0.0001491800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001807700000000 ] - [ 0.0000000000000000, 0.0001942300000000, 0.0003940000000000 ] - [ -0.0001682100000000, -0.0000971200000000, 0.0003940000000000 ] - [ 0.0001682100000000, -0.0000971200000000, 0.0003940000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005224400000000 ] - [ 0.0000000000000000, -0.0000046900000000, 0.0005195400000000 ] - [ 0.0000040600000000, 0.0000023400000000, 0.0005195400000000 ] - [ -0.0000040600000000, 0.0000023400000000, 0.0005195400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008893800000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0008875600000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0008875600000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0008875600000000 ] - [ 0.0002380900000000, 0.0001374600000000, 0.0002829600000000 ] - [ -0.0002380900000000, 0.0001374600000000, 0.0002829600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001413900000000 ] - [ 0.0000000000000000, -0.0002749300000000, 0.0002829600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0334257200000000 ] - [ 0.0000000000000000, 0.0047142000000000, -0.0098943700000000 ] - [ -0.0040826100000000, -0.0023571000000000, -0.0098943700000000 ] - [ 0.0040826100000000, -0.0023571000000000, -0.0098943700000000 ] - [ -0.0000001100000000, -0.0000000600000000, 0.0000768700000000 ] - [ 0.0000001100000000, -0.0000000600000000, 0.0000768700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000766600000000 ] - [ 0.0000000000000000, 0.0000001300000000, 0.0000768700000000 ] - [ -0.0060502200000000, -0.0034931000000000, 0.0083645500000000 ] - [ 0.0060502200000000, -0.0034931000000000, 0.0083645500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023575500000000 ] - [ 0.0000000000000000, 0.0069861900000000, 0.0083645500000000 ] - [ 0.0000020900000000, 0.0000012100000000, -0.0011492300000000 ] - [ -0.0000020900000000, 0.0000012100000000, -0.0011492300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014840100000000 ] - [ 0.0000000000000000, -0.0000024200000000, -0.0011492300000000 ] - [ 0.0000007600000000, 0.0000004400000000, -0.0004559700000000 ] - [ -0.0000007600000000, 0.0000004400000000, -0.0004559700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004508700000000 ] - [ 0.0000000000000000, -0.0000008800000000, -0.0004559700000000 ] - [ 0.0000000000000000, -0.0000002800000000, 0.0004759300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004749400000000 ] - [ -0.0000002400000000, 0.0000001400000000, 0.0004759300000000 ] - [ 0.0000002400000000, 0.0000001400000000, 0.0004759300000000 ] - [ 0.0000000000000000, -0.0000007500000000, 0.0000702000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000698600000000 ] - [ -0.0000006500000000, 0.0000003700000000, 0.0000702000000000 ] - [ 0.0000006500000000, 0.0000003700000000, 0.0000702000000000 ] - [ 0.0000000000000000, -0.0000159200000000, 0.0002791100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000670300000000 ] - [ -0.0000137900000000, 0.0000079600000000, 0.0002791100000000 ] - [ 0.0000137900000000, 0.0000079600000000, 0.0002791100000000 ] - [ 0.0000000000000000, 0.0001080700000000, 0.0008198700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008454800000000 ] - [ 0.0000935900000000, -0.0000540400000000, 0.0008198700000000 ] - [ -0.0000935900000000, -0.0000540400000000, 0.0008198700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006390900000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0006390700000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0006390700000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0006390700000000 ] - [ 0.0000000000000000, -0.0000011300000000, 0.0013049300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013034800000000 ] - [ -0.0000009800000000, 0.0000005600000000, 0.0013049300000000 ] - [ 0.0000009800000000, 0.0000005600000000, 0.0013049300000000 ] - [ 0.0000000000000000, -0.0000009800000000, 0.0011272400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011298800000000 ] - [ -0.0000008500000000, 0.0000004900000000, 0.0011272400000000 ] - [ 0.0000008500000000, 0.0000004900000000, 0.0011272400000000 ] - [ 0.0000002700000000, 0.0000001600000000, -0.0006756000000000 ] - [ -0.0000002700000000, 0.0000001600000000, -0.0006756000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006764500000000 ] - [ 0.0000000000000000, -0.0000003200000000, -0.0006756000000000 ] - [ 0.0000000000000000, 0.0071982000000000, 0.0089011900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027979400000000 ] - [ 0.0062338200000000, -0.0035991000000000, 0.0089011900000000 ] - [ -0.0062338200000000, -0.0035991000000000, 0.0089011900000000 ] - [ -0.0000009900000000, -0.0000005700000000, -0.0014573200000000 ] - [ 0.0000009900000000, -0.0000005700000000, -0.0014573200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014481700000000 ] - [ 0.0000000000000000, 0.0000011400000000, -0.0014573200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000990800000000 ] - [ 0.0000000000000000, -0.0000575200000000, -0.0002648300000000 ] - [ 0.0000498200000000, 0.0000287600000000, -0.0002648300000000 ] - [ -0.0000498200000000, 0.0000287600000000, -0.0002648300000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0005691800000000 ] - [ 0.0000000000000000, -0.0000030600000000, -0.0005701000000000 ] - [ 0.0000026500000000, 0.0000015300000000, -0.0005701000000000 ] - [ -0.0000026500000000, 0.0000015300000000, -0.0005701000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002459800000000 ] - [ 0.0000000000000000, -0.0001966600000000, -0.0004600600000000 ] - [ 0.0001703100000000, 0.0000983300000000, -0.0004600600000000 ] - [ -0.0001703100000000, 0.0000983300000000, -0.0004600600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002081600000000 ] - [ 0.0000000000000000, 0.0000046900000000, -0.0002025700000000 ] - [ -0.0000040600000000, -0.0000023500000000, -0.0002025700000000 ] - [ 0.0000040600000000, -0.0000023500000000, -0.0002025700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001639100000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0001689800000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0001689800000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0001689800000000 ] - [ -0.0002362800000000, -0.0001364200000000, -0.0005271200000000 ] - [ 0.0002362800000000, -0.0001364200000000, -0.0005271200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003877900000000 ] - [ 0.0000000000000000, 0.0002728300000000, -0.0005271200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0318780900000000 ] - [ 0.0000000000000000, -0.0047138700000000, 0.0084514500000000 ] - [ 0.0040823300000000, 0.0023569300000000, 0.0084514500000000 ] - [ -0.0040823300000000, 0.0023569300000000, 0.0084514500000000 ] - [ 0.0000001600000000, 0.0000000900000000, -0.0006378200000000 ] - [ -0.0000001600000000, 0.0000000900000000, -0.0006378200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006377000000000 ] - [ 0.0000000000000000, -0.0000001900000000, -0.0006378200000000 ] - [ 0.0062478600000000, 0.0036072000000000, -0.0095841700000000 ] - [ -0.0062478600000000, 0.0036072000000000, -0.0095841700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034850500000000 ] - [ 0.0000000000000000, -0.0072144000000000, -0.0095841700000000 ] - [ -0.0000023800000000, -0.0000013800000000, -0.0010774000000000 ] - [ 0.0000023800000000, -0.0000013800000000, -0.0010774000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007380700000000 ] - [ 0.0000000000000000, 0.0000027500000000, -0.0010774000000000 ] - [ -0.0000007100000000, -0.0000004100000000, -0.0000994100000000 ] - [ 0.0000007100000000, -0.0000004100000000, -0.0000994100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001045000000000 ] - [ 0.0000000000000000, 0.0000008200000000, -0.0000994100000000 ] - [ 0.0000000000000000, 0.0000003200000000, 0.0008432200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008442600000000 ] - [ 0.0000002800000000, -0.0000001600000000, 0.0008432200000000 ] - [ -0.0000002800000000, -0.0000001600000000, 0.0008432200000000 ] - [ 0.0000000000000000, 0.0000007100000000, 0.0004353300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004356800000000 ] - [ 0.0000006200000000, -0.0000003600000000, 0.0004353300000000 ] - [ -0.0000006200000000, -0.0000003600000000, 0.0004353300000000 ] - [ 0.0000000000000000, 0.0000155800000000, 0.0003521700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006937100000000 ] - [ 0.0000134900000000, -0.0000077900000000, 0.0003521700000000 ] - [ -0.0000134900000000, -0.0000077900000000, 0.0003521700000000 ] - [ 0.0000000000000000, -0.0001086600000000, 0.0012052200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011783700000000 ] - [ -0.0000941000000000, 0.0000543300000000, 0.0012052200000000 ] - [ 0.0000941000000000, 0.0000543300000000, 0.0012052200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002833600000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0002836800000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0002836800000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0002836800000000 ] - [ 0.0000000000000000, 0.0000011000000000, 0.0016690500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016706200000000 ] - [ 0.0000009500000000, -0.0000005500000000, 0.0016690500000000 ] - [ -0.0000009500000000, -0.0000005500000000, 0.0016690500000000 ] - [ 0.0000000000000000, 0.0000009700000000, 0.0014955700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014929800000000 ] - [ 0.0000008400000000, -0.0000004800000000, 0.0014955700000000 ] - [ -0.0000008400000000, -0.0000004800000000, 0.0014955700000000 ] - [ -0.0000002500000000, -0.0000001400000000, -0.0003181700000000 ] - [ 0.0000002500000000, -0.0000001400000000, -0.0003181700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003172900000000 ] - [ 0.0000000000000000, 0.0000002800000000, -0.0003181700000000 ] - [ 0.0000000000000000, -0.0069701200000000, -0.0090362000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030253400000000 ] - [ -0.0060363000000000, 0.0034850600000000, -0.0090362000000000 ] - [ 0.0060363000000000, 0.0034850600000000, -0.0090362000000000 ] - [ 0.0000009100000000, 0.0000005300000000, -0.0010958100000000 ] - [ -0.0000009100000000, 0.0000005300000000, -0.0010958100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011049500000000 ] - [ 0.0000000000000000, -0.0000010600000000, -0.0010958100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000167700000000 ] - [ 0.0000000000000000, 0.0000566500000000, 0.0001825100000000 ] - [ -0.0000490600000000, -0.0000283200000000, 0.0001825100000000 ] - [ 0.0000490600000000, -0.0000283200000000, 0.0001825100000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000256100000000, 0.0001750600000000, 0.0000256700000000 ] - [ 0.0000260900000000, -0.0001750400000000, -0.0004476300000000 ] - [ 0.0002576800000000, -0.0000001500000000, -0.0002110900000000 ] - [ -0.0002773100000000, 0.0000001600000000, -0.0002112800000000 ] - [ -0.0000009800000000, 0.0000005500000000, -0.0000338800000000 ] - [ -0.0000008600000000, -0.0000006200000000, -0.0000343700000000 ] - [ -0.0000012500000000, -0.0000000700000000, -0.0000341600000000 ] - [ -0.0000019100000000, -0.0000000200000000, -0.0000341000000000 ] - [ -0.0000009500000000, 0.0000023200000000, 0.0001618700000000 ] - [ -0.0000009700000000, -0.0000024200000000, 0.0001526800000000 ] - [ 0.0000031200000000, -0.0000000400000000, 0.0001572600000000 ] - [ -0.0000050400000000, -0.0000000300000000, 0.0001572700000000 ] - [ 0.0000249400000000, 0.0001751100000000, 0.0005903300000000 ] - [ 0.0000266200000000, -0.0001749700000000, 0.0004643600000000 ] - [ 0.0002574700000000, -0.0000006200000000, 0.0005271000000000 ] - [ -0.0002773000000000, 0.0000004400000000, 0.0005278200000000 ] - [ -0.0000081000000000, 0.0000000500000000, -0.0001229400000000 ] - [ 0.0000084100000000, 0.0000000700000000, -0.0001228300000000 ] - [ 0.0000001200000000, -0.0000048600000000, -0.0001202600000000 ] - [ 0.0000000700000000, 0.0000047100000000, -0.0001254700000000 ] - [ -0.0000009600000000, 0.0000008100000000, -0.0007214200000000 ] - [ -0.0000009200000000, -0.0000007600000000, -0.0007212100000000 ] - [ -0.0000009400000000, 0.0000000400000000, -0.0007213300000000 ] - [ -0.0000023100000000, 0.0000000400000000, -0.0007213300000000 ] - [ -0.0337073400000000, 0.0000013000000000, -0.0002847200000000 ] - [ 0.0114401100000000, 0.0000009500000000, -0.0002812500000000 ] - [ 0.0003804600000000, -0.0063852000000000, 0.0038033500000000 ] - [ 0.0003804100000000, 0.0063843200000000, -0.0043644900000000 ] - [ 0.0000003500000000, 0.0000002800000000, -0.0005661500000000 ] - [ 0.0000003000000000, 0.0000003600000000, -0.0005654500000000 ] - [ -0.0000004800000000, -0.0000001700000000, -0.0005656300000000 ] - [ -0.0000004900000000, 0.0000007000000000, -0.0005660300000000 ] - [ -0.0000004200000000, 0.0000001800000000, -0.0011123700000000 ] - [ -0.0000014100000000, 0.0000001400000000, -0.0011123200000000 ] - [ -0.0000014000000000, 0.0000001800000000, -0.0011122500000000 ] - [ -0.0000013800000000, 0.0000001900000000, -0.0011123200000000 ] - [ -0.0000300600000000, 0.0000002900000000, -0.0002779500000000 ] - [ -0.0000826800000000, 0.0000001700000000, -0.0002775700000000 ] - [ 0.0000187400000000, 0.0000583100000000, -0.0000248700000000 ] - [ 0.0000185000000000, -0.0000586000000000, -0.0005309400000000 ] - [ 0.0056138700000000, -0.0030962100000000, -0.0071109600000000 ] - [ 0.0058636600000000, 0.0032840500000000, 0.0087031200000000 ] - [ 0.0002142900000000, 0.0000260100000000, 0.0006345700000000 ] - [ -0.0009361800000000, 0.0000032300000000, 0.0006587300000000 ] - [ -0.0000040700000000, -0.0000987200000000, 0.0002540400000000 ] - [ -0.0000038700000000, 0.0000983400000000, 0.0002488700000000 ] - [ -0.0001746300000000, -0.0000002300000000, 0.0002512400000000 ] - [ 0.0002037500000000, -0.0000001200000000, 0.0002516500000000 ] - [ -0.0000005700000000, 0.0000017800000000, 0.0003171600000000 ] - [ -0.0000005500000000, -0.0000016300000000, 0.0003112800000000 ] - [ 0.0000023800000000, 0.0000000800000000, 0.0003142200000000 ] - [ -0.0000018200000000, 0.0000000800000000, 0.0003142000000000 ] - [ 0.0000000600000000, -0.0000002000000000, 0.0010115900000000 ] - [ 0.0000000900000000, -0.0000001700000000, 0.0010104900000000 ] - [ 0.0000001000000000, -0.0000001500000000, 0.0010111400000000 ] - [ -0.0000007300000000, -0.0000001900000000, 0.0010111000000000 ] - [ 0.0057220100000000, 0.0031493700000000, 0.0073341900000000 ] - [ 0.0059720800000000, -0.0033372200000000, -0.0085330500000000 ] - [ -0.0009362000000000, -0.0000030900000000, -0.0004615700000000 ] - [ 0.0002304900000000, -0.0000261300000000, -0.0004375700000000 ] - [ 0.0000003100000000, -0.0000011300000000, 0.0014805600000000 ] - [ 0.0000003000000000, 0.0000007800000000, 0.0014907000000000 ] - [ -0.0000013500000000, -0.0000001900000000, 0.0014855700000000 ] - [ -0.0000007900000000, -0.0000001600000000, 0.0014856000000000 ] - [ 0.0000038400000000, -0.0000308600000000, 0.0012739300000000 ] - [ 0.0000038000000000, 0.0000302700000000, 0.0013452800000000 ] - [ -0.0000490700000000, -0.0000000500000000, 0.0013104200000000 ] - [ -0.0001471100000000, -0.0000001900000000, 0.0013086700000000 ] - [ 0.0000039500000000, -0.0000000400000000, -0.0004958200000000 ] - [ 0.0000060900000000, 0.0000001900000000, -0.0004962500000000 ] - [ -0.0000222000000000, -0.0000161800000000, -0.0006547400000000 ] - [ -0.0000216300000000, 0.0000162100000000, -0.0003369300000000 ] - [ 0.0000000200000000, -0.0000002500000000, -0.0001120700000000 ] - [ -0.0000000200000000, -0.0000001100000000, -0.0001137800000000 ] - [ -0.0000001700000000, -0.0000002100000000, -0.0001129400000000 ] - [ -0.0000002200000000, -0.0000001300000000, -0.0001129700000000 ] - [ 0.0000030800000000, 0.0000001100000000, -0.0012761900000000 ] - [ -0.0000041400000000, 0.0000001300000000, -0.0012761800000000 ] - [ -0.0000010500000000, 0.0000019200000000, -0.0012759100000000 ] - [ -0.0000010600000000, -0.0000017000000000, -0.0012765300000000 ] - [ 0.0000005300000000, 0.0000008600000000, -0.0000325100000000 ] - [ 0.0000004800000000, -0.0000011000000000, -0.0000500600000000 ] - [ -0.0000000900000000, -0.0000001100000000, -0.0000411900000000 ] - [ -0.0000012000000000, -0.0000001300000000, -0.0000412000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000639700000000, -0.0000369300000000, 0.0001918900000000 ] - [ 0.0000639700000000, -0.0000369300000000, 0.0001918900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000513900000000 ] - [ 0.0000000000000000, 0.0000738700000000, 0.0001918900000000 ] - [ 0.0000003500000000, 0.0000002000000000, 0.0003239400000000 ] - [ -0.0000003500000000, 0.0000002000000000, 0.0003239400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003239400000000 ] - [ 0.0000000000000000, -0.0000004000000000, 0.0003239400000000 ] - [ -0.0000000700000000, -0.0000000400000000, 0.0005169000000000 ] - [ 0.0000000700000000, -0.0000000400000000, 0.0005169000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005126700000000 ] - [ 0.0000000000000000, 0.0000000900000000, 0.0005169000000000 ] - [ -0.0002375200000000, -0.0001371300000000, 0.0009308700000000 ] - [ 0.0002375200000000, -0.0001371300000000, 0.0009308700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007896500000000 ] - [ 0.0000000000000000, 0.0002742700000000, 0.0009308700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002356800000000 ] - [ 0.0000000000000000, -0.0000030300000000, 0.0002345600000000 ] - [ 0.0000026200000000, 0.0000015200000000, 0.0002345600000000 ] - [ -0.0000026200000000, 0.0000015200000000, 0.0002345600000000 ] - [ -0.0000002600000000, -0.0000001500000000, -0.0003639100000000 ] - [ 0.0000002600000000, -0.0000001500000000, -0.0003639100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003640500000000 ] - [ 0.0000000000000000, 0.0000003000000000, -0.0003639100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0329317200000000 ] - [ 0.0000000000000000, -0.0047158800000000, -0.0094493500000000 ] - [ 0.0040840700000000, 0.0023579400000000, -0.0094493500000000 ] - [ -0.0040840700000000, 0.0023579400000000, -0.0094493500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007446700000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0007414800000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0007414800000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0007414800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012922500000000 ] - [ 0.0000000000000000, -0.0000000700000000, -0.0012920200000000 ] - [ 0.0000000600000000, 0.0000000300000000, -0.0012920200000000 ] - [ -0.0000000600000000, 0.0000000300000000, -0.0012920200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004626200000000 ] - [ 0.0000000000000000, 0.0000120900000000, -0.0003444900000000 ] - [ -0.0000104700000000, -0.0000060400000000, -0.0003444900000000 ] - [ 0.0000104700000000, -0.0000060400000000, -0.0003444900000000 ] - [ -0.0061488800000000, 0.0035500600000000, 0.0096606800000000 ] - [ 0.0061488800000000, 0.0035500600000000, 0.0096606800000000 ] - [ 0.0000000000000000, -0.0071001200000000, 0.0096606800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035489700000000 ] - [ 0.0000704000000000, -0.0000406400000000, 0.0000776100000000 ] - [ -0.0000704000000000, -0.0000406400000000, 0.0000776100000000 ] - [ 0.0000000000000000, 0.0000812900000000, 0.0000776100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000308300000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0001306400000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0001306400000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0001306400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001344500000000 ] - [ 0.0000002800000000, -0.0000001600000000, 0.0008282300000000 ] - [ -0.0000002800000000, -0.0000001600000000, 0.0008282300000000 ] - [ 0.0000000000000000, 0.0000003300000000, 0.0008282300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008276300000000 ] - [ 0.0060660000000000, 0.0035022100000000, 0.0084732500000000 ] - [ -0.0060660000000000, 0.0035022100000000, 0.0084732500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024430400000000 ] - [ 0.0000000000000000, -0.0070044100000000, 0.0084732500000000 ] - [ 0.0000011900000000, -0.0000006900000000, 0.0013040800000000 ] - [ -0.0000011900000000, -0.0000006900000000, 0.0013040800000000 ] - [ 0.0000000000000000, 0.0000013800000000, 0.0013040800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013037300000000 ] - [ 0.0000135900000000, -0.0000078400000000, 0.0012744800000000 ] - [ -0.0000135900000000, -0.0000078400000000, 0.0012744800000000 ] - [ 0.0000000000000000, 0.0000156900000000, 0.0012744800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009288400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005558900000000 ] - [ 0.0000000000000000, 0.0000571300000000, -0.0007216300000000 ] - [ -0.0000494800000000, -0.0000285600000000, -0.0007216300000000 ] - [ 0.0000494800000000, -0.0000285600000000, -0.0007216300000000 ] - [ 0.0000008700000000, -0.0000005000000000, -0.0002964700000000 ] - [ -0.0000008700000000, -0.0000005000000000, -0.0002964700000000 ] - [ 0.0000000000000000, 0.0000010100000000, -0.0002964700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002939100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014589500000000 ] - [ 0.0000000000000000, 0.0000018200000000, -0.0014558900000000 ] - [ -0.0000015800000000, -0.0000009100000000, -0.0014558900000000 ] - [ 0.0000015800000000, -0.0000009100000000, -0.0014558900000000 ] - [ -0.0000008200000000, -0.0000004700000000, -0.0002165900000000 ] - [ 0.0000008200000000, -0.0000004700000000, -0.0002165900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002226700000000 ] - [ 0.0000000000000000, 0.0000009500000000, -0.0002165900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000618700000000, 0.0000357200000000, -0.0006158100000000 ] - [ -0.0000618700000000, 0.0000357200000000, -0.0006158100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004764100000000 ] - [ 0.0000000000000000, -0.0000714400000000, -0.0006158100000000 ] - [ -0.0000003600000000, -0.0000002100000000, -0.0003915400000000 ] - [ 0.0000003600000000, -0.0000002100000000, -0.0003915400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003916100000000 ] - [ 0.0000000000000000, 0.0000004200000000, -0.0003915400000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0002019100000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0002019100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001977200000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0002019100000000 ] - [ 0.0002357900000000, 0.0001361400000000, 0.0001233700000000 ] - [ -0.0002357900000000, 0.0001361400000000, 0.0001233700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002624100000000 ] - [ 0.0000000000000000, -0.0002722700000000, 0.0001233700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004854400000000 ] - [ 0.0000000000000000, 0.0000029800000000, -0.0004825000000000 ] - [ -0.0000025800000000, -0.0000014900000000, -0.0004825000000000 ] - [ 0.0000025800000000, -0.0000014900000000, -0.0004825000000000 ] - [ 0.0000002600000000, 0.0000001500000000, -0.0010798300000000 ] - [ -0.0000002600000000, 0.0000001500000000, -0.0010798300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010796400000000 ] - [ 0.0000000000000000, -0.0000003000000000, -0.0010798300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0324598600000000 ] - [ 0.0000000000000000, 0.0047158800000000, 0.0088847500000000 ] - [ -0.0040840700000000, -0.0023579400000000, 0.0088847500000000 ] - [ 0.0040840700000000, -0.0023579400000000, 0.0088847500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003857800000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0003876400000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0003876400000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0003876400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009306800000000 ] - [ 0.0000000000000000, 0.0000000800000000, -0.0009311700000000 ] - [ -0.0000000700000000, -0.0000000400000000, -0.0009311700000000 ] - [ 0.0000000700000000, -0.0000000400000000, -0.0009311700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000939300000000 ] - [ 0.0000000000000000, -0.0000125900000000, -0.0002084600000000 ] - [ 0.0000109000000000, 0.0000062900000000, -0.0002084600000000 ] - [ -0.0000109000000000, 0.0000062900000000, -0.0002084600000000 ] - [ 0.0059514800000000, -0.0034360900000000, -0.0082583900000000 ] - [ -0.0059514800000000, -0.0034360900000000, -0.0082583900000000 ] - [ 0.0000000000000000, 0.0068721800000000, -0.0082583900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022389600000000 ] - [ -0.0000698900000000, 0.0000403500000000, 0.0004213100000000 ] - [ 0.0000698900000000, 0.0000403500000000, 0.0004213100000000 ] - [ 0.0000000000000000, -0.0000807000000000, 0.0004213100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004693400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004936600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004936600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004936600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004898600000000 ] - [ -0.0000002800000000, 0.0000001600000000, 0.0011899300000000 ] - [ 0.0000002800000000, 0.0000001600000000, 0.0011899300000000 ] - [ 0.0000000000000000, -0.0000003200000000, 0.0011899300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011905000000000 ] - [ -0.0062638500000000, -0.0036164400000000, -0.0094834200000000 ] - [ 0.0062638500000000, -0.0036164400000000, -0.0094834200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033613200000000 ] - [ 0.0000000000000000, 0.0072328700000000, -0.0094834200000000 ] - [ -0.0000011700000000, 0.0000006800000000, 0.0016637100000000 ] - [ 0.0000011700000000, 0.0000006800000000, 0.0016637100000000 ] - [ 0.0000000000000000, -0.0000013600000000, 0.0016637100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016641200000000 ] - [ -0.0000132800000000, 0.0000076700000000, 0.0013422400000000 ] - [ 0.0000132800000000, 0.0000076700000000, 0.0013422400000000 ] - [ 0.0000000000000000, -0.0000153400000000, 0.0013422400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016832000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004352700000000 ] - [ 0.0000000000000000, -0.0000562700000000, -0.0002695300000000 ] - [ 0.0000487300000000, 0.0000281300000000, -0.0002695300000000 ] - [ -0.0000487300000000, 0.0000281300000000, -0.0002695300000000 ] - [ -0.0000008500000000, 0.0000004900000000, 0.0000664500000000 ] - [ 0.0000008500000000, 0.0000004900000000, 0.0000664500000000 ] - [ 0.0000000000000000, -0.0000009800000000, 0.0000664500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000639100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010926700000000 ] - [ 0.0000000000000000, -0.0000018200000000, -0.0010956700000000 ] - [ 0.0000015800000000, 0.0000009100000000, -0.0010956700000000 ] - [ -0.0000015800000000, 0.0000009100000000, -0.0010956700000000 ] - [ 0.0000008400000000, 0.0000004900000000, 0.0001353900000000 ] - [ -0.0000008400000000, 0.0000004900000000, 0.0001353900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001414200000000 ] - [ 0.0000000000000000, -0.0000009700000000, 0.0001353900000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000005200000000, 0.0000011400000000, -0.0002101400000000 ] - [ 0.0000007000000000, -0.0000012000000000, -0.0002115900000000 ] - [ 0.0000008000000000, -0.0000001100000000, -0.0002108700000000 ] - [ -0.0000013800000000, 0.0000000400000000, -0.0002108100000000 ] - [ -0.0000120600000000, -0.0000886400000000, -0.0001279600000000 ] - [ -0.0000122300000000, 0.0000883800000000, 0.0000601200000000 ] - [ -0.0001111000000000, -0.0000000100000000, -0.0000338900000000 ] - [ 0.0001411800000000, -0.0000001300000000, -0.0000338000000000 ] - [ -0.0000002600000000, 0.0000015600000000, 0.0001582900000000 ] - [ -0.0000002400000000, -0.0000016600000000, 0.0001568500000000 ] - [ 0.0000036700000000, -0.0000000200000000, 0.0001575500000000 ] - [ -0.0000030200000000, -0.0000000100000000, 0.0001575500000000 ] - [ 0.0000002300000000, 0.0000001700000000, 0.0005281700000000 ] - [ 0.0000001900000000, -0.0000002300000000, 0.0005272800000000 ] - [ -0.0000002800000000, -0.0000000300000000, 0.0005277200000000 ] - [ -0.0000000500000000, -0.0000000100000000, 0.0005277400000000 ] - [ -0.0000275900000000, 0.0000000100000000, -0.0001233600000000 ] - [ -0.0000818300000000, 0.0000007800000000, -0.0001235500000000 ] - [ 0.0000181900000000, 0.0000571600000000, -0.0001337400000000 ] - [ 0.0000195900000000, -0.0000591500000000, -0.0001120600000000 ] - [ 0.0057108200000000, 0.0031400400000000, -0.0067334000000000 ] - [ 0.0059710100000000, -0.0033383800000000, 0.0055663700000000 ] - [ -0.0009384900000000, -0.0000061000000000, -0.0007263900000000 ] - [ 0.0002315000000000, -0.0000130600000000, -0.0007294900000000 ] - [ 0.0000004300000000, 0.0000000700000000, -0.0002803500000000 ] - [ 0.0000011700000000, 0.0000000500000000, -0.0002811200000000 ] - [ 0.0000002400000000, -0.0000004900000000, -0.0002807500000000 ] - [ 0.0000002600000000, 0.0000005900000000, -0.0002807100000000 ] - [ -0.0273557500000000, 0.0001854000000000, -0.0008270700000000 ] - [ 0.0106327600000000, 0.0000055600000000, -0.0005699800000000 ] - [ 0.0019772000000000, -0.0050059600000000, -0.0006814300000000 ] - [ 0.0019674200000000, 0.0049939100000000, -0.0004510300000000 ] - [ 0.0000332200000000, 0.0000002500000000, -0.0011129100000000 ] - [ 0.0000283900000000, 0.0000004000000000, -0.0011132700000000 ] - [ -0.0000478300000000, -0.0000435400000000, -0.0012748200000000 ] - [ -0.0000476300000000, 0.0000443900000000, -0.0009509200000000 ] - [ 0.0000020700000000, 0.0000002100000000, -0.0002781700000000 ] - [ -0.0000004400000000, 0.0000002200000000, -0.0002780500000000 ] - [ -0.0000002000000000, 0.0000003300000000, -0.0002783100000000 ] - [ -0.0000001800000000, 0.0000000600000000, -0.0002778600000000 ] - [ -0.0000003400000000, 0.0000004300000000, 0.0006579100000000 ] - [ -0.0000003200000000, -0.0000002300000000, 0.0006579900000000 ] - [ 0.0000002700000000, 0.0000000900000000, 0.0006579200000000 ] - [ -0.0000001200000000, 0.0000000800000000, 0.0006579600000000 ] - [ 0.0000011900000000, -0.0000012100000000, 0.0002492800000000 ] - [ 0.0000011200000000, 0.0000008800000000, 0.0002538600000000 ] - [ -0.0000006600000000, -0.0000001700000000, 0.0002515800000000 ] - [ -0.0000024500000000, -0.0000001700000000, 0.0002516700000000 ] - [ 0.0004578600000000, -0.0002715400000000, 0.0009278200000000 ] - [ 0.0004629800000000, 0.0002783600000000, -0.0003125100000000 ] - [ -0.0000157700000000, 0.0000003900000000, 0.0003148900000000 ] - [ -0.0000217000000000, 0.0000005900000000, 0.0003151400000000 ] - [ 0.0000061100000000, 0.0000359800000000, 0.0009981100000000 ] - [ 0.0000061200000000, -0.0000362800000000, 0.0010241700000000 ] - [ 0.0000687500000000, -0.0000001700000000, 0.0010113900000000 ] - [ -0.0000885200000000, -0.0000002200000000, 0.0010113000000000 ] - [ 0.0000001500000000, 0.0000002000000000, -0.0004612100000000 ] - [ 0.0000001800000000, -0.0000002700000000, -0.0004620200000000 ] - [ 0.0000002600000000, -0.0000000100000000, -0.0004615600000000 ] - [ -0.0000002300000000, -0.0000000100000000, -0.0004616700000000 ] - [ 0.0000002300000000, -0.0000003000000000, 0.0014872500000000 ] - [ 0.0000002200000000, -0.0000000200000000, 0.0014843300000000 ] - [ -0.0000000200000000, -0.0000001800000000, 0.0014857200000000 ] - [ 0.0000009500000000, -0.0000001500000000, 0.0014857200000000 ] - [ 0.0000007600000000, -0.0000004000000000, 0.0013093100000000 ] - [ 0.0000007900000000, 0.0000000500000000, 0.0013092400000000 ] - [ 0.0000004300000000, -0.0000001600000000, 0.0013092800000000 ] - [ 0.0000000000000000, -0.0000001800000000, 0.0013093800000000 ] - [ 0.0000000800000000, 0.0000000500000000, -0.0004964800000000 ] - [ -0.0000005000000000, 0.0000000000000000, -0.0004964500000000 ] - [ 0.0000001500000000, 0.0000004200000000, -0.0004963800000000 ] - [ 0.0000001700000000, -0.0000002900000000, -0.0004963400000000 ] - [ 0.0018273300000000, -0.0021953800000000, -0.0036091500000000 ] - [ 0.0018225900000000, 0.0022175100000000, 0.0034106000000000 ] - [ -0.0019966900000000, 0.0000056200000000, -0.0001184700000000 ] - [ -0.0007216500000000, 0.0000047900000000, -0.0001142800000000 ] - [ -0.0000000900000000, 0.0000001200000000, -0.0012767600000000 ] - [ 0.0000011500000000, 0.0000001300000000, -0.0012767800000000 ] - [ -0.0000005500000000, -0.0000008500000000, -0.0012725800000000 ] - [ -0.0000005700000000, 0.0000010800000000, -0.0012810500000000 ] - [ -0.0000151500000000, -0.0000053000000000, -0.0000425100000000 ] - [ -0.0000148600000000, 0.0000050000000000, -0.0000408900000000 ] - [ 0.0001254500000000, -0.0000001700000000, -0.0000425300000000 ] - [ -0.0000060800000000, -0.0000000900000000, -0.0000420300000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000086700000000, -0.0000050000000000, -0.0003869100000000 ] - [ 0.0000086700000000, -0.0000050000000000, -0.0003869100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003920700000000 ] - [ 0.0000000000000000, 0.0000100100000000, -0.0003869100000000 ] - [ -0.0000618900000000, -0.0000357300000000, -0.0002197300000000 ] - [ 0.0000618900000000, -0.0000357300000000, -0.0002197300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001956500000000 ] - [ 0.0000000000000000, 0.0000714700000000, -0.0002197300000000 ] - [ -0.0000019400000000, -0.0000011200000000, -0.0000187900000000 ] - [ 0.0000019400000000, -0.0000011200000000, -0.0000187900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000212500000000 ] - [ 0.0000000000000000, 0.0000022400000000, -0.0000187900000000 ] - [ 0.0000004400000000, 0.0000002600000000, 0.0003506600000000 ] - [ -0.0000004400000000, 0.0000002600000000, 0.0003506600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003514800000000 ] - [ 0.0000000000000000, -0.0000005100000000, 0.0003506600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003059400000000 ] - [ 0.0000000000000000, -0.0002874300000000, -0.0001920700000000 ] - [ 0.0002489200000000, 0.0001437100000000, -0.0001920700000000 ] - [ -0.0002489200000000, 0.0001437100000000, -0.0001920700000000 ] - [ -0.0080373600000000, -0.0046403700000000, 0.0082995700000000 ] - [ 0.0080373600000000, -0.0046403700000000, 0.0082995700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022033900000000 ] - [ 0.0000000000000000, 0.0092807400000000, 0.0082995700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004598900000000 ] - [ 0.0000000000000000, -0.0000001800000000, -0.0004583800000000 ] - [ 0.0000001600000000, 0.0000000900000000, -0.0004583800000000 ] - [ -0.0000001600000000, 0.0000000900000000, -0.0004583800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0376760100000000 ] - [ 0.0000000000000000, 0.0001292700000000, -0.0023096100000000 ] - [ -0.0001119500000000, -0.0000646400000000, -0.0023096100000000 ] - [ 0.0001119500000000, -0.0000646400000000, -0.0023096100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011109500000000 ] - [ 0.0000000000000000, -0.0000499700000000, -0.0009799600000000 ] - [ 0.0000432800000000, 0.0000249900000000, -0.0009799600000000 ] - [ -0.0000432800000000, 0.0000249900000000, -0.0009799600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001823600000000 ] - [ 0.0000000000000000, 0.0000011400000000, -0.0001905300000000 ] - [ -0.0000009800000000, -0.0000005700000000, -0.0001905300000000 ] - [ 0.0000009800000000, -0.0000005700000000, -0.0001905300000000 ] - [ -0.0000001600000000, 0.0000000900000000, 0.0007462400000000 ] - [ 0.0000001600000000, 0.0000000900000000, 0.0007462400000000 ] - [ 0.0000000000000000, -0.0000001800000000, 0.0007462400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007456400000000 ] - [ 0.0000003800000000, -0.0000002200000000, 0.0003415400000000 ] - [ -0.0000003800000000, -0.0000002200000000, 0.0003415400000000 ] - [ 0.0000000000000000, 0.0000004400000000, 0.0003415400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003317100000000 ] - [ 0.0004714000000000, -0.0002721600000000, 0.0009632700000000 ] - [ -0.0004714000000000, -0.0002721600000000, 0.0009632700000000 ] - [ 0.0000000000000000, 0.0005443200000000, 0.0009632700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002461100000000 ] - [ -0.0000133200000000, 0.0000076900000000, 0.0010790000000000 ] - [ 0.0000133200000000, 0.0000076900000000, 0.0010790000000000 ] - [ 0.0000000000000000, -0.0000153800000000, 0.0010790000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011538700000000 ] - [ 0.0000003400000000, 0.0000002000000000, -0.0003727500000000 ] - [ -0.0000003400000000, 0.0000002000000000, -0.0003727500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003730100000000 ] - [ 0.0000000000000000, -0.0000004000000000, -0.0003727500000000 ] - [ 0.0000013800000000, -0.0000008000000000, 0.0015733600000000 ] - [ -0.0000013800000000, -0.0000008000000000, 0.0015733600000000 ] - [ 0.0000000000000000, 0.0000015900000000, 0.0015733600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015728900000000 ] - [ -0.0000000100000000, 0.0000000100000000, 0.0013973400000000 ] - [ 0.0000000100000000, 0.0000000100000000, 0.0013973400000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0013973400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013963100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004053000000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0004066400000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0004066400000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0004066400000000 ] - [ -0.0035388800000000, 0.0020431800000000, 0.0036850600000000 ] - [ 0.0035388800000000, 0.0020431800000000, 0.0036850600000000 ] - [ 0.0000000000000000, -0.0040863500000000, 0.0036850600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010641600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011895200000000 ] - [ 0.0000000000000000, 0.0000003400000000, -0.0011851200000000 ] - [ -0.0000002900000000, -0.0000001700000000, -0.0011851200000000 ] - [ 0.0000002900000000, -0.0000001700000000, -0.0011851200000000 ] - [ -0.0000120400000000, -0.0000069500000000, -0.0000376700000000 ] - [ 0.0000120400000000, -0.0000069500000000, -0.0000376700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003410700000000 ] - [ 0.0000000000000000, 0.0000139000000000, -0.0000376700000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000088600000000, 0.0000051200000000, -0.0000344300000000 ] - [ -0.0000088600000000, 0.0000051200000000, -0.0000344300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000291200000000 ] - [ 0.0000000000000000, -0.0000102400000000, -0.0000344300000000 ] - [ 0.0000613800000000, 0.0000354400000000, 0.0001538500000000 ] - [ -0.0000613800000000, 0.0000354400000000, 0.0001538500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001297300000000 ] - [ 0.0000000000000000, -0.0000708700000000, 0.0001538500000000 ] - [ 0.0000018600000000, 0.0000010800000000, 0.0003357400000000 ] - [ -0.0000018600000000, 0.0000010800000000, 0.0003357400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003381700000000 ] - [ 0.0000000000000000, -0.0000021500000000, 0.0003357400000000 ] - [ -0.0000003900000000, -0.0000002200000000, 0.0007056500000000 ] - [ 0.0000003900000000, -0.0000002200000000, 0.0007056500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007048000000000 ] - [ 0.0000000000000000, 0.0000004500000000, 0.0007056500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000599900000000 ] - [ 0.0000000000000000, 0.0002948700000000, -0.0000558600000000 ] - [ -0.0002553600000000, -0.0001474300000000, -0.0000558600000000 ] - [ 0.0002553600000000, -0.0001474300000000, -0.0000558600000000 ] - [ 0.0077963300000000, 0.0045012100000000, -0.0096480300000000 ] - [ -0.0077963300000000, 0.0045012100000000, -0.0096480300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036375300000000 ] - [ 0.0000000000000000, -0.0090024200000000, -0.0096480300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001012100000000 ] - [ 0.0000000000000000, 0.0000001600000000, -0.0001040200000000 ] - [ -0.0000001400000000, -0.0000000800000000, -0.0001040200000000 ] - [ 0.0000001400000000, -0.0000000800000000, -0.0001040200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0361221700000000 ] - [ 0.0000000000000000, -0.0001363800000000, 0.0011880200000000 ] - [ 0.0001181100000000, 0.0000681900000000, 0.0011880200000000 ] - [ -0.0001181100000000, 0.0000681900000000, 0.0011880200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011144600000000 ] - [ 0.0000000000000000, 0.0000499300000000, -0.0012448600000000 ] - [ -0.0000432400000000, -0.0000249700000000, -0.0012448600000000 ] - [ 0.0000432400000000, -0.0000249700000000, -0.0012448600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003730600000000 ] - [ 0.0000000000000000, -0.0000011400000000, -0.0003645100000000 ] - [ 0.0000009900000000, 0.0000005700000000, -0.0003645100000000 ] - [ -0.0000009900000000, 0.0000005700000000, -0.0003645100000000 ] - [ 0.0000001300000000, -0.0000000800000000, 0.0005679600000000 ] - [ -0.0000001300000000, -0.0000000800000000, 0.0005679600000000 ] - [ 0.0000000000000000, 0.0000001500000000, 0.0005679600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005685800000000 ] - [ -0.0000003900000000, 0.0000002200000000, 0.0001593900000000 ] - [ 0.0000003900000000, 0.0000002200000000, 0.0001593900000000 ] - [ 0.0000000000000000, -0.0000004500000000, 0.0001593900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001696200000000 ] - [ -0.0004866500000000, 0.0002809700000000, -0.0003568600000000 ] - [ 0.0004866500000000, 0.0002809700000000, -0.0003568600000000 ] - [ 0.0000000000000000, -0.0005619300000000, -0.0003568600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003842000000000 ] - [ 0.0000132800000000, -0.0000076700000000, 0.0009409500000000 ] - [ -0.0000132800000000, -0.0000076700000000, 0.0009409500000000 ] - [ 0.0000000000000000, 0.0000153400000000, 0.0009409500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008667000000000 ] - [ -0.0000003800000000, -0.0000002200000000, -0.0005493700000000 ] - [ 0.0000003800000000, -0.0000002200000000, -0.0005493700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005491200000000 ] - [ 0.0000000000000000, 0.0000004300000000, -0.0005493700000000 ] - [ -0.0000013800000000, 0.0000008000000000, 0.0013958600000000 ] - [ 0.0000013800000000, 0.0000008000000000, 0.0013958600000000 ] - [ 0.0000000000000000, -0.0000015900000000, 0.0013958600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013963700000000 ] - [ -0.0000000100000000, 0.0000000100000000, 0.0012196200000000 ] - [ 0.0000000100000000, 0.0000000100000000, 0.0012196200000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0012196200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012207700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005869200000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0005855600000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0005855600000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0005855600000000 ] - [ 0.0034874100000000, -0.0020134600000000, -0.0038497900000000 ] - [ -0.0034874100000000, -0.0020134600000000, -0.0038497900000000 ] - [ 0.0000000000000000, 0.0040269200000000, -0.0038497900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008357100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013631600000000 ] - [ 0.0000000000000000, -0.0000003400000000, -0.0013675700000000 ] - [ 0.0000003000000000, 0.0000001700000000, -0.0013675700000000 ] - [ -0.0000003000000000, 0.0000001700000000, -0.0013675700000000 ] - [ 0.0000124400000000, 0.0000071800000000, -0.0000430200000000 ] - [ -0.0000124400000000, 0.0000071800000000, -0.0000430200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004316900000000 ] - [ 0.0000000000000000, -0.0000143600000000, -0.0000430200000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000002800000000, -0.0000001100000000, -0.0002110600000000 ] - [ -0.0000000700000000, -0.0000000300000000, -0.0002105200000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0002108300000000 ] - [ -0.0000000700000000, 0.0000000800000000, -0.0002107600000000 ] - [ 0.0057129600000000, 0.0031439700000000, -0.0060488300000000 ] - [ 0.0059733700000000, -0.0033425600000000, 0.0062563500000000 ] - [ -0.0009414400000000, -0.0000062400000000, -0.0000392200000000 ] - [ 0.0002267600000000, -0.0000131700000000, -0.0000423100000000 ] - [ -0.0000118800000000, -0.0000889400000000, 0.0000636100000000 ] - [ -0.0000121200000000, 0.0000885800000000, 0.0002516100000000 ] - [ -0.0001115500000000, 0.0000000500000000, 0.0001576200000000 ] - [ 0.0001417600000000, -0.0000000900000000, 0.0001576700000000 ] - [ -0.0000002400000000, 0.0000016700000000, 0.0005286200000000 ] - [ -0.0000003100000000, -0.0000017400000000, 0.0005269900000000 ] - [ 0.0000036900000000, -0.0000000200000000, 0.0005278000000000 ] - [ -0.0000031400000000, -0.0000000200000000, 0.0005278100000000 ] - [ 0.0000015600000000, 0.0000000500000000, -0.0001225500000000 ] - [ -0.0000018700000000, 0.0000000700000000, -0.0001224900000000 ] - [ 0.0000002400000000, 0.0000011600000000, -0.0001228600000000 ] - [ 0.0000001800000000, -0.0000012700000000, -0.0001221900000000 ] - [ -0.0000047200000000, 0.0000110000000000, -0.0007194500000000 ] - [ -0.0000056400000000, -0.0000109500000000, -0.0007238500000000 ] - [ -0.0002384300000000, 0.0000000900000000, -0.0007210100000000 ] - [ -0.0000242000000000, -0.0000002400000000, -0.0007219500000000 ] - [ -0.0000001200000000, 0.0000000600000000, -0.0002802500000000 ] - [ -0.0000005900000000, 0.0000000600000000, -0.0002803300000000 ] - [ -0.0000005700000000, 0.0000000600000000, -0.0002802500000000 ] - [ -0.0000005300000000, 0.0000000300000000, -0.0002803200000000 ] - [ 0.0000333400000000, 0.0000001600000000, -0.0005666100000000 ] - [ 0.0000283900000000, -0.0000001400000000, -0.0005665900000000 ] - [ -0.0000474400000000, -0.0000431300000000, -0.0005238000000000 ] - [ -0.0000479200000000, 0.0000446700000000, -0.0006103000000000 ] - [ -0.0273492200000000, 0.0001853400000000, -0.0013792200000000 ] - [ 0.0106232400000000, 0.0000053700000000, -0.0011161800000000 ] - [ 0.0019944800000000, -0.0049905900000000, -0.0012255300000000 ] - [ 0.0019844700000000, 0.0049785400000000, -0.0009989800000000 ] - [ 0.0000000600000000, 0.0000002100000000, -0.0002779900000000 ] - [ -0.0000001800000000, 0.0000002300000000, -0.0002778900000000 ] - [ 0.0000002500000000, 0.0000004300000000, -0.0002777800000000 ] - [ 0.0000002700000000, -0.0000000400000000, -0.0002780700000000 ] - [ 0.0000003200000000, -0.0000000500000000, 0.0006579200000000 ] - [ 0.0000003300000000, 0.0000002500000000, 0.0006577800000000 ] - [ 0.0000000900000000, 0.0000000900000000, 0.0006578100000000 ] - [ -0.0000005600000000, 0.0000000800000000, 0.0006578600000000 ] - [ 0.0000001800000000, 0.0000001700000000, 0.0002515500000000 ] - [ 0.0000001300000000, -0.0000005000000000, 0.0002514700000000 ] - [ 0.0000007300000000, -0.0000001700000000, 0.0002514700000000 ] - [ 0.0000003600000000, -0.0000001700000000, 0.0002515600000000 ] - [ 0.0000003600000000, -0.0000010300000000, 0.0003150700000000 ] - [ 0.0000003900000000, 0.0000011800000000, 0.0003137000000000 ] - [ -0.0000015500000000, 0.0000001000000000, 0.0003143300000000 ] - [ -0.0000029500000000, 0.0000000900000000, 0.0003143100000000 ] - [ 0.0018257800000000, -0.0021994500000000, -0.0024870500000000 ] - [ 0.0018211000000000, 0.0022215500000000, 0.0045363600000000 ] - [ -0.0020051400000000, 0.0000057000000000, 0.0010056900000000 ] - [ -0.0007184500000000, 0.0000047600000000, 0.0010098300000000 ] - [ 0.0000002300000000, 0.0000002100000000, -0.0004615800000000 ] - [ 0.0000002600000000, -0.0000002800000000, -0.0004613100000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0004613700000000 ] - [ -0.0000001700000000, -0.0000000200000000, -0.0004614900000000 ] - [ 0.0000061600000000, 0.0000360400000000, 0.0014725200000000 ] - [ 0.0000061500000000, -0.0000363100000000, 0.0014988400000000 ] - [ 0.0000688100000000, -0.0000002200000000, 0.0014857500000000 ] - [ -0.0000882300000000, -0.0000001800000000, 0.0014856800000000 ] - [ 0.0000002000000000, -0.0000003200000000, 0.0013106200000000 ] - [ 0.0000002400000000, -0.0000000300000000, 0.0013078000000000 ] - [ 0.0000000100000000, -0.0000001600000000, 0.0013092100000000 ] - [ 0.0000009600000000, -0.0000001800000000, 0.0013093100000000 ] - [ -0.0000001200000000, 0.0000000500000000, -0.0004963400000000 ] - [ 0.0000011100000000, 0.0000000000000000, -0.0004963300000000 ] - [ -0.0000005500000000, -0.0000009200000000, -0.0004919600000000 ] - [ -0.0000005400000000, 0.0000010500000000, -0.0005005000000000 ] - [ 0.0006048600000000, -0.0003495200000000, 0.0004836300000000 ] - [ 0.0006107300000000, 0.0003547500000000, -0.0007224300000000 ] - [ -0.0000021300000000, 0.0000000700000000, -0.0001121000000000 ] - [ -0.0000149600000000, 0.0000000600000000, -0.0001118800000000 ] - [ 0.0000325000000000, 0.0000001900000000, -0.0012765700000000 ] - [ 0.0000271600000000, 0.0000004000000000, -0.0012770200000000 ] - [ -0.0000483700000000, -0.0000432000000000, -0.0014394200000000 ] - [ -0.0000481900000000, 0.0000438600000000, -0.0011140100000000 ] - [ -0.0000001500000000, -0.0000006700000000, -0.0000408000000000 ] - [ -0.0000002000000000, 0.0000004900000000, -0.0000427400000000 ] - [ -0.0000001000000000, -0.0000001200000000, -0.0000416300000000 ] - [ 0.0000008200000000, -0.0000001300000000, -0.0000416400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000001100000000, -0.0000000600000000, -0.0003901800000000 ] - [ 0.0000001100000000, -0.0000000600000000, -0.0003901800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003899300000000 ] - [ 0.0000000000000000, 0.0000001300000000, -0.0003901800000000 ] - [ -0.0080533600000000, -0.0046496100000000, 0.0089913800000000 ] - [ 0.0080533600000000, -0.0046496100000000, 0.0089913800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028813700000000 ] - [ 0.0000000000000000, 0.0092992200000000, 0.0089913800000000 ] - [ -0.0000617300000000, -0.0000356400000000, -0.0000298200000000 ] - [ 0.0000617300000000, -0.0000356400000000, -0.0000298200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000059800000000 ] - [ 0.0000000000000000, 0.0000712800000000, -0.0000298200000000 ] - [ -0.0000019200000000, -0.0000011100000000, 0.0003498100000000 ] - [ 0.0000019200000000, -0.0000011100000000, 0.0003498100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003473200000000 ] - [ 0.0000000000000000, 0.0000022200000000, 0.0003498100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002954800000000 ] - [ 0.0000000000000000, 0.0000124600000000, -0.0003039100000000 ] - [ -0.0000107900000000, -0.0000062300000000, -0.0003039100000000 ] - [ 0.0000107900000000, -0.0000062300000000, -0.0003039100000000 ] - [ -0.0000451800000000, -0.0000260800000000, -0.0007592600000000 ] - [ 0.0000451800000000, -0.0000260800000000, -0.0007592600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010917000000000 ] - [ 0.0000000000000000, 0.0000521600000000, -0.0007592600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004609000000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0004602300000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0004602300000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0004602300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005627800000000 ] - [ 0.0000000000000000, 0.0001846500000000, -0.0004338600000000 ] - [ -0.0001599100000000, -0.0000923200000000, -0.0004338600000000 ] - [ 0.0001599100000000, -0.0000923200000000, -0.0004338600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0383067400000000 ] - [ 0.0000000000000000, 0.0001271900000000, -0.0028363300000000 ] - [ -0.0001101500000000, -0.0000636000000000, -0.0028363300000000 ] - [ 0.0001101500000000, -0.0000636000000000, -0.0028363300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001870500000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0001874900000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0001874900000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0001874900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007475100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007475100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007475100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007465800000000 ] - [ -0.0000001200000000, 0.0000000700000000, 0.0003406500000000 ] - [ 0.0000001200000000, 0.0000000700000000, 0.0003406500000000 ] - [ 0.0000000000000000, -0.0000001300000000, 0.0003406500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003399200000000 ] - [ 0.0000010600000000, -0.0000006100000000, 0.0003973900000000 ] - [ -0.0000010600000000, -0.0000006100000000, 0.0003973900000000 ] - [ 0.0000000000000000, 0.0000012300000000, 0.0003973900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004249800000000 ] - [ -0.0035360600000000, 0.0020415500000000, 0.0048132000000000 ] - [ 0.0035360600000000, 0.0020415500000000, 0.0048132000000000 ] - [ 0.0000000000000000, -0.0040830900000000, 0.0048132000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000631500000000 ] - [ -0.0000003100000000, -0.0000001800000000, -0.0003711600000000 ] - [ 0.0000003100000000, -0.0000001800000000, -0.0003711600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003721900000000 ] - [ 0.0000000000000000, 0.0000003600000000, -0.0003711600000000 ] - [ -0.0000133000000000, 0.0000076800000000, 0.0015551000000000 ] - [ 0.0000133000000000, 0.0000076800000000, 0.0015551000000000 ] - [ 0.0000000000000000, -0.0000153600000000, 0.0015551000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016301000000000 ] - [ 0.0000014000000000, -0.0000008100000000, 0.0013985000000000 ] - [ -0.0000014000000000, -0.0000008100000000, 0.0013985000000000 ] - [ 0.0000000000000000, 0.0000016200000000, 0.0013985000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013980200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004080100000000 ] - [ 0.0000000000000000, 0.0000003300000000, -0.0004035800000000 ] - [ -0.0000002800000000, -0.0000001600000000, -0.0004035800000000 ] - [ 0.0000002800000000, -0.0000001600000000, -0.0004035800000000 ] - [ 0.0005932600000000, -0.0003425200000000, 0.0005621800000000 ] - [ -0.0005932600000000, -0.0003425200000000, 0.0005621800000000 ] - [ 0.0000000000000000, 0.0006850400000000, 0.0005621800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001821400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012733600000000 ] - [ 0.0000000000000000, -0.0000500700000000, -0.0011432100000000 ] - [ 0.0000433600000000, 0.0000250300000000, -0.0011432100000000 ] - [ -0.0000433600000000, 0.0000250300000000, -0.0011432100000000 ] - [ -0.0000036500000000, -0.0000021100000000, 0.0000500900000000 ] - [ 0.0000036500000000, -0.0000021100000000, 0.0000500900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000444400000000 ] - [ 0.0000000000000000, 0.0000042200000000, 0.0000500900000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000001200000000, 0.0000000700000000, -0.0000310900000000 ] - [ -0.0000001200000000, 0.0000000700000000, -0.0000310900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000313400000000 ] - [ 0.0000000000000000, -0.0000001400000000, -0.0000310900000000 ] - [ 0.0078123700000000, 0.0045104800000000, -0.0089641800000000 ] - [ -0.0078123700000000, 0.0045104800000000, -0.0089641800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029395900000000 ] - [ 0.0000000000000000, -0.0090209500000000, -0.0089641800000000 ] - [ 0.0000612300000000, 0.0000353500000000, 0.0003478700000000 ] - [ -0.0000612300000000, 0.0000353500000000, 0.0003478700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003239800000000 ] - [ 0.0000000000000000, -0.0000707000000000, 0.0003478700000000 ] - [ 0.0000019000000000, 0.0000011000000000, 0.0007068200000000 ] - [ -0.0000019000000000, 0.0000011000000000, 0.0007068200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007093100000000 ] - [ 0.0000000000000000, -0.0000021900000000, 0.0007068200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000504400000000 ] - [ 0.0000000000000000, -0.0000127700000000, 0.0000587400000000 ] - [ 0.0000110600000000, 0.0000063900000000, 0.0000587400000000 ] - [ -0.0000110600000000, 0.0000063900000000, 0.0000587400000000 ] - [ 0.0000464900000000, 0.0000268400000000, -0.0006852200000000 ] - [ -0.0000464900000000, 0.0000268400000000, -0.0006852200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003442400000000 ] - [ 0.0000000000000000, -0.0000536800000000, -0.0006852200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001009400000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0001013400000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0001013400000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0001013400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005644800000000 ] - [ 0.0000000000000000, -0.0001896300000000, -0.0006972900000000 ] - [ 0.0001642200000000, 0.0000948200000000, -0.0006972900000000 ] - [ -0.0001642200000000, 0.0000948200000000, -0.0006972900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0356364400000000 ] - [ 0.0000000000000000, -0.0001340800000000, 0.0006236200000000 ] - [ 0.0001161200000000, 0.0000670400000000, 0.0006236200000000 ] - [ -0.0001161200000000, 0.0000670400000000, 0.0006236200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003664200000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0003659800000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0003659800000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0003659800000000 ] - [ -0.0000000100000000, 0.0000000000000000, 0.0005659100000000 ] - [ 0.0000000100000000, 0.0000000000000000, 0.0005659100000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0005659100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005668500000000 ] - [ 0.0000001100000000, -0.0000000600000000, 0.0001590700000000 ] - [ -0.0000001100000000, -0.0000000600000000, 0.0001590700000000 ] - [ 0.0000000000000000, 0.0000001300000000, 0.0001590700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001597900000000 ] - [ -0.0000011000000000, 0.0000006300000000, 0.0002274700000000 ] - [ 0.0000011000000000, 0.0000006300000000, 0.0002274700000000 ] - [ 0.0000000000000000, -0.0000012700000000, 0.0002274700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001992300000000 ] - [ 0.0034843900000000, -0.0020117100000000, -0.0027309800000000 ] - [ -0.0034843900000000, -0.0020117100000000, -0.0027309800000000 ] - [ 0.0000000000000000, 0.0040234200000000, -0.0027309800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019549400000000 ] - [ 0.0000003100000000, 0.0000001800000000, -0.0005495000000000 ] - [ -0.0000003100000000, 0.0000001800000000, -0.0005495000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005484800000000 ] - [ 0.0000000000000000, -0.0000003600000000, -0.0005495000000000 ] - [ 0.0000132500000000, -0.0000076500000000, 0.0014131100000000 ] - [ -0.0000132500000000, -0.0000076500000000, 0.0014131100000000 ] - [ 0.0000000000000000, 0.0000153000000000, 0.0014131100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013386400000000 ] - [ -0.0000013900000000, 0.0000008000000000, 0.0012173700000000 ] - [ 0.0000013900000000, 0.0000008000000000, 0.0012173700000000 ] - [ 0.0000000000000000, -0.0000016100000000, 0.0012173700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012178400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005824000000000 ] - [ 0.0000000000000000, -0.0000003400000000, -0.0005868500000000 ] - [ 0.0000002900000000, 0.0000001700000000, -0.0005868500000000 ] - [ -0.0000002900000000, 0.0000001700000000, -0.0005868500000000 ] - [ -0.0006129300000000, 0.0003538700000000, -0.0008131800000000 ] - [ 0.0006129300000000, 0.0003538700000000, -0.0008131800000000 ] - [ 0.0000000000000000, -0.0007077500000000, -0.0008131800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000438200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012784200000000 ] - [ 0.0000000000000000, 0.0000500400000000, -0.0014079600000000 ] - [ -0.0000433300000000, -0.0000250200000000, -0.0014079600000000 ] - [ 0.0000433300000000, -0.0000250200000000, -0.0014079600000000 ] - [ 0.0000037500000000, 0.0000021700000000, -0.0001306000000000 ] - [ -0.0000037500000000, 0.0000021700000000, -0.0001306000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001247500000000 ] - [ 0.0000000000000000, -0.0000043300000000, -0.0001306000000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0057145800000000, 0.0031426700000000, -0.0062370800000000 ] - [ 0.0059751300000000, -0.0033413900000000, 0.0060908400000000 ] - [ -0.0009371900000000, -0.0000062400000000, -0.0002160900000000 ] - [ 0.0002306000000000, -0.0000131400000000, -0.0002192100000000 ] - [ 0.0000002600000000, 0.0000000900000000, -0.0000334600000000 ] - [ 0.0000004100000000, -0.0000001100000000, -0.0000340200000000 ] - [ -0.0000002400000000, -0.0000000900000000, -0.0000337700000000 ] - [ 0.0000001800000000, -0.0000000200000000, -0.0000337000000000 ] - [ -0.0000002400000000, -0.0000001300000000, 0.0001574700000000 ] - [ -0.0000002100000000, 0.0000000200000000, 0.0001579700000000 ] - [ -0.0000002100000000, -0.0000000300000000, 0.0001576900000000 ] - [ -0.0000000700000000, -0.0000000100000000, 0.0001577100000000 ] - [ 0.0000005700000000, 0.0000012500000000, 0.0005286900000000 ] - [ 0.0000005100000000, -0.0000012500000000, 0.0005270700000000 ] - [ 0.0000007800000000, -0.0000000700000000, 0.0005278900000000 ] - [ -0.0000015500000000, -0.0000000500000000, 0.0005279100000000 ] - [ 0.0000058500000000, 0.0000002100000000, -0.0001224800000000 ] - [ 0.0000059700000000, 0.0000000000000000, -0.0001222100000000 ] - [ -0.0000209900000000, -0.0000158700000000, -0.0001719100000000 ] - [ -0.0000214100000000, 0.0000154700000000, -0.0000731500000000 ] - [ -0.0000003600000000, -0.0000008800000000, -0.0007204200000000 ] - [ -0.0000002600000000, 0.0000009500000000, -0.0007213800000000 ] - [ -0.0000006900000000, 0.0000000200000000, -0.0007209200000000 ] - [ 0.0000012700000000, 0.0000000700000000, -0.0007208900000000 ] - [ -0.0000286600000000, 0.0000000100000000, -0.0002809900000000 ] - [ -0.0000821000000000, 0.0000007700000000, -0.0002812700000000 ] - [ 0.0000181200000000, 0.0000573900000000, -0.0002912100000000 ] - [ 0.0000196300000000, -0.0000591600000000, -0.0002698300000000 ] - [ 0.0000022400000000, 0.0000002900000000, -0.0005666600000000 ] - [ -0.0000003500000000, 0.0000003700000000, -0.0005666400000000 ] - [ -0.0000001900000000, 0.0000003900000000, -0.0005677000000000 ] - [ -0.0000001900000000, 0.0000001600000000, -0.0005656200000000 ] - [ 0.0000001100000000, 0.0000001800000000, -0.0011127700000000 ] - [ -0.0000003300000000, 0.0000001400000000, -0.0011127200000000 ] - [ 0.0000002400000000, 0.0000005200000000, -0.0011127700000000 ] - [ 0.0000002500000000, -0.0000001300000000, -0.0011126000000000 ] - [ -0.0273917300000000, 0.0001856300000000, -0.0005460400000000 ] - [ 0.0106561700000000, 0.0000054200000000, -0.0002811400000000 ] - [ 0.0019745600000000, -0.0050211300000000, -0.0003995000000000 ] - [ 0.0019647800000000, 0.0050088900000000, -0.0001550100000000 ] - [ 0.0004609100000000, -0.0002729300000000, 0.0012727300000000 ] - [ 0.0004660200000000, 0.0002798200000000, 0.0000294300000000 ] - [ -0.0000151700000000, 0.0000003900000000, 0.0006583400000000 ] - [ -0.0000218600000000, 0.0000005800000000, 0.0006586400000000 ] - [ 0.0018099700000000, -0.0022066200000000, -0.0032378800000000 ] - [ 0.0018050500000000, 0.0022290100000000, 0.0037676600000000 ] - [ -0.0020338100000000, 0.0000056400000000, 0.0002456600000000 ] - [ -0.0007416100000000, 0.0000048300000000, 0.0002500500000000 ] - [ 0.0000081100000000, -0.0000304800000000, 0.0003461300000000 ] - [ 0.0000083100000000, 0.0000304800000000, 0.0002825000000000 ] - [ -0.0000445900000000, 0.0000001300000000, 0.0003142500000000 ] - [ 0.0000281500000000, 0.0000001800000000, 0.0003143200000000 ] - [ 0.0000007700000000, -0.0000003400000000, 0.0010112100000000 ] - [ 0.0000007900000000, -0.0000000100000000, 0.0010110600000000 ] - [ 0.0000005500000000, -0.0000001300000000, 0.0010112600000000 ] - [ -0.0000001000000000, -0.0000001800000000, 0.0010111900000000 ] - [ -0.0000152700000000, -0.0000054400000000, -0.0004621300000000 ] - [ -0.0000149500000000, 0.0000052800000000, -0.0004603000000000 ] - [ 0.0001261600000000, -0.0000000700000000, -0.0004621100000000 ] - [ -0.0000058100000000, 0.0000000100000000, -0.0004617300000000 ] - [ 0.0000001800000000, 0.0000001800000000, 0.0014856800000000 ] - [ 0.0000001600000000, -0.0000005100000000, 0.0014856800000000 ] - [ 0.0000007600000000, -0.0000001800000000, 0.0014856300000000 ] - [ 0.0000003400000000, -0.0000001500000000, 0.0014856300000000 ] - [ 0.0000011500000000, -0.0000012500000000, 0.0013067700000000 ] - [ 0.0000011800000000, 0.0000008900000000, 0.0013115800000000 ] - [ -0.0000006400000000, -0.0000001600000000, 0.0013092300000000 ] - [ -0.0000024900000000, -0.0000001800000000, 0.0013093000000000 ] - [ 0.0000020000000000, 0.0000000500000000, -0.0004963700000000 ] - [ -0.0000005600000000, 0.0000000100000000, -0.0004963200000000 ] - [ -0.0000002700000000, 0.0000002200000000, -0.0004965000000000 ] - [ -0.0000002400000000, -0.0000000900000000, -0.0004959500000000 ] - [ 0.0000002000000000, -0.0000001900000000, -0.0001135400000000 ] - [ 0.0000001900000000, -0.0000001500000000, -0.0001120500000000 ] - [ 0.0000001100000000, -0.0000002000000000, -0.0001127800000000 ] - [ 0.0000007300000000, -0.0000001200000000, -0.0001128600000000 ] - [ 0.0000000200000000, 0.0000001200000000, -0.0012766000000000 ] - [ -0.0000002300000000, 0.0000001400000000, -0.0012766100000000 ] - [ 0.0000002100000000, 0.0000003800000000, -0.0012766000000000 ] - [ 0.0000002000000000, -0.0000001600000000, -0.0012766800000000 ] - [ -0.0000152800000000, -0.0000053900000000, -0.0000294100000000 ] - [ -0.0000152900000000, 0.0000053700000000, -0.0000542000000000 ] - [ 0.0001266700000000, 0.0000000900000000, -0.0000420300000000 ] - [ -0.0000059700000000, -0.0000000500000000, -0.0000413500000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0080518400000000, -0.0046487300000000, 0.0088135700000000 ] - [ 0.0080518400000000, -0.0046487300000000, 0.0088135700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026945500000000 ] - [ 0.0000000000000000, 0.0092974600000000, 0.0088135700000000 ] - [ 0.0000003100000000, 0.0000001800000000, -0.0002110900000000 ] - [ -0.0000003100000000, 0.0000001800000000, -0.0002110900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002102400000000 ] - [ 0.0000000000000000, -0.0000003500000000, -0.0002110900000000 ] - [ -0.0000002000000000, -0.0000001200000000, -0.0000198300000000 ] - [ 0.0000002000000000, -0.0000001200000000, -0.0000198300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000197400000000 ] - [ 0.0000000000000000, 0.0000002300000000, -0.0000198300000000 ] - [ -0.0000086500000000, -0.0000049900000000, 0.0003528400000000 ] - [ 0.0000086500000000, -0.0000049900000000, 0.0003528400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003475600000000 ] - [ 0.0000000000000000, 0.0000099800000000, 0.0003528400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001783100000000 ] - [ 0.0000000000000000, 0.0001842400000000, -0.0003456000000000 ] - [ -0.0001595600000000, -0.0000921200000000, -0.0003456000000000 ] - [ 0.0001595600000000, -0.0000921200000000, -0.0003456000000000 ] - [ 0.0000037000000000, 0.0000021300000000, -0.0008996900000000 ] - [ -0.0000037000000000, 0.0000021300000000, -0.0008996900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008955500000000 ] - [ 0.0000000000000000, -0.0000042700000000, -0.0008996900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004645400000000 ] - [ 0.0000000000000000, -0.0002884400000000, -0.0003490800000000 ] - [ 0.0002498000000000, 0.0001442200000000, -0.0003490800000000 ] - [ -0.0002498000000000, 0.0001442200000000, -0.0003490800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004707800000000 ] - [ 0.0000000000000000, 0.0000002400000000, -0.0004791100000000 ] - [ -0.0000002100000000, -0.0000001200000000, -0.0004791100000000 ] - [ 0.0000002100000000, -0.0000001200000000, -0.0004791100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010219800000000 ] - [ 0.0000000000000000, -0.0000000700000000, -0.0010230300000000 ] - [ 0.0000000600000000, 0.0000000400000000, -0.0010230300000000 ] - [ -0.0000000600000000, 0.0000000400000000, -0.0010230300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0373362200000000 ] - [ 0.0000000000000000, 0.0001375800000000, -0.0020348100000000 ] - [ -0.0001191500000000, -0.0000687900000000, -0.0020348100000000 ] - [ 0.0001191500000000, -0.0000687900000000, -0.0020348100000000 ] - [ 0.0004725500000000, -0.0002728300000000, 0.0013071700000000 ] - [ -0.0004725500000000, -0.0002728300000000, 0.0013071700000000 ] - [ 0.0000000000000000, 0.0005456500000000, 0.0013071700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005898700000000 ] - [ -0.0035060800000000, 0.0020242400000000, 0.0040535200000000 ] - [ 0.0035060800000000, 0.0020242400000000, 0.0040535200000000 ] - [ 0.0000000000000000, -0.0040484700000000, 0.0040535200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007166000000000 ] - [ 0.0000647600000000, -0.0000373900000000, 0.0004154200000000 ] - [ -0.0000647600000000, -0.0000373900000000, 0.0004154200000000 ] - [ 0.0000000000000000, 0.0000747800000000, 0.0004154200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003562700000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0010991100000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0010991100000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0010991100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010982200000000 ] - [ -0.0000121200000000, -0.0000070000000000, -0.0004575700000000 ] - [ 0.0000121200000000, -0.0000070000000000, -0.0004575700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000772100000000 ] - [ 0.0000000000000000, 0.0000139900000000, -0.0004575700000000 ] - [ -0.0000001300000000, 0.0000000700000000, 0.0015732400000000 ] - [ 0.0000001300000000, 0.0000000700000000, 0.0015732400000000 ] - [ 0.0000000000000000, -0.0000001400000000, 0.0015732400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015727100000000 ] - [ 0.0000003400000000, -0.0000002000000000, 0.0013996900000000 ] - [ -0.0000003400000000, -0.0000002000000000, 0.0013996900000000 ] - [ 0.0000000000000000, 0.0000003900000000, 0.0013996900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013898900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003999900000000 ] - [ 0.0000000000000000, 0.0000011000000000, -0.0004082900000000 ] - [ -0.0000009500000000, -0.0000005500000000, -0.0004082900000000 ] - [ 0.0000009500000000, -0.0000005500000000, -0.0004082900000000 ] - [ -0.0000014000000000, 0.0000008100000000, -0.0000242700000000 ] - [ 0.0000014000000000, 0.0000008100000000, -0.0000242700000000 ] - [ 0.0000000000000000, -0.0000016100000000, -0.0000242700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000267000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011859900000000 ] - [ 0.0000000000000000, 0.0000000700000000, -0.0011865200000000 ] - [ -0.0000000600000000, -0.0000000400000000, -0.0011865200000000 ] - [ 0.0000000600000000, -0.0000000400000000, -0.0011865200000000 ] - [ 0.0000010200000000, 0.0000005900000000, -0.0000397500000000 ] - [ -0.0000010200000000, 0.0000005900000000, -0.0000397500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003470700000000 ] - [ 0.0000000000000000, -0.0000011800000000, -0.0000397500000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0078106200000000, 0.0045094600000000, -0.0091417300000000 ] - [ -0.0078106200000000, 0.0045094600000000, -0.0091417300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031084900000000 ] - [ 0.0000000000000000, -0.0090189200000000, -0.0091417300000000 ] - [ -0.0000003600000000, -0.0000002100000000, 0.0001454300000000 ] - [ 0.0000003600000000, -0.0000002100000000, 0.0001454300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001444900000000 ] - [ 0.0000000000000000, 0.0000004100000000, 0.0001454300000000 ] - [ 0.0000001400000000, 0.0000000800000000, 0.0003368900000000 ] - [ -0.0000001400000000, 0.0000000800000000, 0.0003368900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003368300000000 ] - [ 0.0000000000000000, -0.0000001600000000, 0.0003368900000000 ] - [ 0.0000089400000000, 0.0000051600000000, 0.0007044000000000 ] - [ -0.0000089400000000, 0.0000051600000000, 0.0007044000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007098000000000 ] - [ 0.0000000000000000, -0.0000103300000000, 0.0007044000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000644200000000 ] - [ 0.0000000000000000, -0.0001829900000000, 0.0001014900000000 ] - [ 0.0001584700000000, 0.0000914900000000, 0.0001014900000000 ] - [ -0.0001584700000000, 0.0000914900000000, 0.0001014900000000 ] - [ -0.0000037200000000, -0.0000021500000000, -0.0005411400000000 ] - [ 0.0000037200000000, -0.0000021500000000, -0.0005411400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005452600000000 ] - [ 0.0000000000000000, 0.0000042900000000, -0.0005411400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000968000000000 ] - [ 0.0000000000000000, 0.0002959200000000, -0.0002137400000000 ] - [ -0.0002562700000000, -0.0001479600000000, -0.0002137400000000 ] - [ 0.0002562700000000, -0.0001479600000000, -0.0002137400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006626800000000 ] - [ 0.0000000000000000, -0.0000002400000000, -0.0006544400000000 ] - [ 0.0000002100000000, 0.0000001200000000, -0.0006544400000000 ] - [ -0.0000002100000000, 0.0000001200000000, -0.0006544400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012056200000000 ] - [ 0.0000000000000000, 0.0000000800000000, -0.0012046800000000 ] - [ -0.0000000700000000, -0.0000000400000000, -0.0012046800000000 ] - [ 0.0000000700000000, -0.0000000400000000, -0.0012046800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0363196600000000 ] - [ 0.0000000000000000, -0.0001445500000000, 0.0014882600000000 ] - [ 0.0001251800000000, 0.0000722700000000, 0.0014882600000000 ] - [ -0.0001251800000000, 0.0000722700000000, 0.0014882600000000 ] - [ -0.0004878300000000, 0.0002816500000000, -0.0000101300000000 ] - [ 0.0004878300000000, 0.0002816500000000, -0.0000101300000000 ] - [ 0.0000000000000000, -0.0005633000000000, -0.0000101300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007311600000000 ] - [ 0.0034549400000000, -0.0019947100000000, -0.0034858600000000 ] - [ -0.0034549400000000, -0.0019947100000000, -0.0034858600000000 ] - [ 0.0000000000000000, 0.0039894200000000, -0.0034858600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012201100000000 ] - [ -0.0000643600000000, 0.0000371600000000, 0.0002142400000000 ] - [ 0.0000643600000000, 0.0000371600000000, 0.0002142400000000 ] - [ 0.0000000000000000, -0.0000743200000000, 0.0002142400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002728500000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0009241500000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0009241500000000 ] - [ 0.0000000000000000, 0.0000000300000000, 0.0009241500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009249800000000 ] - [ 0.0000124800000000, 0.0000072100000000, -0.0004648200000000 ] - [ -0.0000124800000000, 0.0000072100000000, -0.0004648200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008549800000000 ] - [ 0.0000000000000000, -0.0000144200000000, -0.0004648200000000 ] - [ 0.0000001700000000, -0.0000001000000000, 0.0013985700000000 ] - [ -0.0000001700000000, -0.0000001000000000, 0.0013985700000000 ] - [ 0.0000000000000000, 0.0000002000000000, 0.0013985700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013992600000000 ] - [ -0.0000003800000000, 0.0000002200000000, 0.0012213500000000 ] - [ 0.0000003800000000, 0.0000002200000000, 0.0012213500000000 ] - [ 0.0000000000000000, -0.0000004400000000, 0.0012213500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012314900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005961300000000 ] - [ 0.0000000000000000, -0.0000011600000000, -0.0005874800000000 ] - [ 0.0000010000000000, 0.0000005800000000, -0.0005874800000000 ] - [ -0.0000010000000000, 0.0000005800000000, -0.0005874800000000 ] - [ 0.0000014100000000, -0.0000008100000000, -0.0002017900000000 ] - [ -0.0000014100000000, -0.0000008100000000, -0.0002017900000000 ] - [ 0.0000000000000000, 0.0000016300000000, -0.0002017900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001994700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013689400000000 ] - [ 0.0000000000000000, -0.0000000600000000, -0.0013684400000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0013684400000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0013684400000000 ] - [ -0.0000008500000000, -0.0000004900000000, -0.0000460100000000 ] - [ 0.0000008500000000, -0.0000004900000000, -0.0000460100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004315100000000 ] - [ 0.0000000000000000, 0.0000009900000000, -0.0000460100000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000490300000000, -0.0000000100000000, -0.0002118300000000 ] - [ -0.0001462300000000, 0.0000027100000000, -0.0002110700000000 ] - [ 0.0000032400000000, -0.0000312100000000, -0.0002246200000000 ] - [ 0.0000049200000000, 0.0000301300000000, -0.0001973400000000 ] - [ 0.0000001600000000, -0.0000000100000000, -0.0000344500000000 ] - [ -0.0000001600000000, 0.0000000000000000, -0.0000344400000000 ] - [ 0.0000003200000000, -0.0000001500000000, -0.0000348500000000 ] - [ 0.0000003600000000, 0.0000000300000000, -0.0000340200000000 ] - [ 0.0000005800000000, -0.0000001000000000, 0.0001569600000000 ] - [ 0.0000000500000000, -0.0000000100000000, 0.0001570100000000 ] - [ -0.0000003100000000, 0.0000004700000000, 0.0001557200000000 ] - [ -0.0000001600000000, -0.0000005000000000, 0.0001582200000000 ] - [ -0.0001742500000000, 0.0000000500000000, 0.0005271800000000 ] - [ 0.0002036500000000, -0.0000000400000000, 0.0005271100000000 ] - [ -0.0000036800000000, -0.0000985600000000, 0.0004572400000000 ] - [ -0.0000037200000000, 0.0000984100000000, 0.0005971000000000 ] - [ 0.0000007000000000, -0.0000004100000000, -0.0001225400000000 ] - [ 0.0000005600000000, 0.0000006300000000, -0.0001237100000000 ] - [ -0.0000002200000000, -0.0000000600000000, -0.0001232000000000 ] - [ -0.0000007200000000, -0.0000001600000000, -0.0001231500000000 ] - [ -0.0000001100000000, 0.0000000300000000, -0.0007215900000000 ] - [ -0.0000001200000000, 0.0000000200000000, -0.0007216200000000 ] - [ -0.0000002100000000, 0.0000001300000000, -0.0007214200000000 ] - [ -0.0000002600000000, -0.0000000200000000, -0.0007218000000000 ] - [ 0.0058702800000000, -0.0032893700000000, -0.0064690400000000 ] - [ 0.0056079600000000, 0.0030912200000000, 0.0056329500000000 ] - [ 0.0002144300000000, -0.0000149700000000, -0.0002716100000000 ] - [ -0.0009367000000000, -0.0000063800000000, -0.0002755200000000 ] - [ -0.0000002500000000, 0.0000006100000000, -0.0005664000000000 ] - [ -0.0000002900000000, 0.0000000600000000, -0.0005663900000000 ] - [ 0.0000002500000000, 0.0000003000000000, -0.0005664500000000 ] - [ -0.0000000900000000, 0.0000002500000000, -0.0005663800000000 ] - [ 0.0000002700000000, -0.0000000300000000, -0.0011124800000000 ] - [ 0.0000002900000000, 0.0000003500000000, -0.0011125200000000 ] - [ -0.0000000800000000, 0.0000001900000000, -0.0011124000000000 ] - [ -0.0000006000000000, 0.0000002000000000, -0.0011124400000000 ] - [ 0.0004664700000000, -0.0002792300000000, 0.0002084300000000 ] - [ 0.0004604500000000, 0.0002735800000000, -0.0007519000000000 ] - [ -0.0000152500000000, -0.0000035400000000, -0.0002814400000000 ] - [ -0.0000219000000000, 0.0000001100000000, -0.0002780500000000 ] - [ -0.0269172300000000, 0.0002006900000000, 0.0009247100000000 ] - [ 0.0107458800000000, 0.0000051600000000, 0.0006616100000000 ] - [ 0.0019954600000000, -0.0050605300000000, 0.0008160400000000 ] - [ 0.0019856900000000, 0.0050488800000000, 0.0004983500000000 ] - [ 0.0000291500000000, 0.0000001200000000, 0.0002516400000000 ] - [ -0.0000062500000000, 0.0000005100000000, 0.0002523200000000 ] - [ -0.0000452800000000, -0.0000235300000000, 0.0002825500000000 ] - [ -0.0000463300000000, 0.0000221700000000, 0.0002210900000000 ] - [ 0.0000017100000000, 0.0000000500000000, 0.0003146600000000 ] - [ -0.0000003100000000, 0.0000000800000000, 0.0003146900000000 ] - [ -0.0000002000000000, 0.0000002000000000, 0.0003144800000000 ] - [ -0.0000001500000000, 0.0000000100000000, 0.0003148000000000 ] - [ 0.0000006100000000, -0.0000001800000000, 0.0010114900000000 ] - [ 0.0000001800000000, -0.0000001700000000, 0.0010114600000000 ] - [ 0.0000007800000000, 0.0000002000000000, 0.0010115100000000 ] - [ 0.0000007500000000, -0.0000005200000000, 0.0010116600000000 ] - [ -0.0020336900000000, 0.0000066600000000, -0.0004547000000000 ] - [ -0.0007413800000000, 0.0000046600000000, -0.0004597100000000 ] - [ 0.0018095000000000, -0.0022068700000000, 0.0030061300000000 ] - [ 0.0018062500000000, 0.0022290400000000, -0.0039559500000000 ] - [ 0.0000027100000000, -0.0000001600000000, 0.0014860700000000 ] - [ -0.0000003000000000, -0.0000001700000000, 0.0014860400000000 ] - [ 0.0000001400000000, 0.0000000600000000, 0.0014856900000000 ] - [ 0.0000001000000000, -0.0000004000000000, 0.0014863100000000 ] - [ 0.0000289900000000, -0.0000001200000000, 0.0013095200000000 ] - [ -0.0000058700000000, 0.0000000200000000, 0.0013099400000000 ] - [ -0.0000460800000000, -0.0000232200000000, 0.0014774600000000 ] - [ -0.0000458400000000, 0.0000230500000000, 0.0011419200000000 ] - [ 0.0000080800000000, -0.0000301400000000, -0.0004315700000000 ] - [ 0.0000079900000000, 0.0000303100000000, -0.0005606800000000 ] - [ -0.0000443400000000, 0.0000000700000000, -0.0004958800000000 ] - [ 0.0000279000000000, 0.0000000100000000, -0.0004959600000000 ] - [ 0.0000005900000000, -0.0000001500000000, -0.0001124800000000 ] - [ 0.0000003000000000, -0.0000001800000000, -0.0001123700000000 ] - [ 0.0000007600000000, 0.0000000600000000, -0.0001123700000000 ] - [ 0.0000007600000000, -0.0000004000000000, -0.0001125700000000 ] - [ -0.0000003500000000, -0.0000003500000000, -0.0012770500000000 ] - [ -0.0000003200000000, 0.0000006100000000, -0.0012756100000000 ] - [ -0.0000011600000000, 0.0000001200000000, -0.0012764100000000 ] - [ 0.0000008800000000, 0.0000001000000000, -0.0012763400000000 ] - [ -0.0000005900000000, -0.0000001100000000, -0.0000415600000000 ] - [ -0.0000024500000000, -0.0000001000000000, -0.0000414700000000 ] - [ 0.0000012100000000, -0.0000011500000000, -0.0000418600000000 ] - [ 0.0000011700000000, 0.0000009100000000, -0.0000408400000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000420800000000, -0.0002443300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005910100000000 ] - [ 0.0000364400000000, -0.0000210400000000, -0.0002443300000000 ] - [ -0.0000364400000000, -0.0000210400000000, -0.0002443300000000 ] - [ 0.0000000000000000, -0.0000004400000000, -0.0002151900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002144100000000 ] - [ -0.0000003800000000, 0.0000002200000000, -0.0002151900000000 ] - [ 0.0000003800000000, 0.0000002200000000, -0.0002151900000000 ] - [ 0.0000000000000000, -0.0000026000000000, -0.0000246100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000212900000000 ] - [ -0.0000022600000000, 0.0000013000000000, -0.0000246100000000 ] - [ 0.0000022600000000, 0.0000013000000000, -0.0000246100000000 ] - [ 0.0000000000000000, -0.0000027300000000, 0.0003558400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003066600000000 ] - [ -0.0000023600000000, 0.0000013600000000, 0.0003558400000000 ] - [ 0.0000023600000000, 0.0000013600000000, 0.0003558400000000 ] - [ -0.0000050900000000, 0.0000029400000000, -0.0003044000000000 ] - [ 0.0000050900000000, 0.0000029400000000, -0.0003044000000000 ] - [ 0.0000000000000000, -0.0000058800000000, -0.0003044000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003040800000000 ] - [ 0.0000000000000000, 0.0000001800000000, -0.0009035200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009034400000000 ] - [ 0.0000001600000000, -0.0000000900000000, -0.0009035200000000 ] - [ -0.0000001600000000, -0.0000000900000000, -0.0009035200000000 ] - [ -0.0077857900000000, 0.0044951300000000, 0.0086315300000000 ] - [ 0.0077857900000000, 0.0044951300000000, 0.0086315300000000 ] - [ 0.0000000000000000, -0.0089902600000000, 0.0086315300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026084500000000 ] - [ -0.0000001100000000, 0.0000000700000000, -0.0004744900000000 ] - [ 0.0000001100000000, 0.0000000700000000, -0.0004744900000000 ] - [ 0.0000000000000000, -0.0000001300000000, -0.0004744900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004750200000000 ] - [ 0.0000000200000000, -0.0000000100000000, -0.0010198300000000 ] - [ -0.0000000200000000, -0.0000000100000000, -0.0010198300000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0010198300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010207000000000 ] - [ 0.0006317200000000, -0.0003647200000000, 0.0003959500000000 ] - [ -0.0006317200000000, -0.0003647200000000, 0.0003959500000000 ] - [ 0.0000000000000000, 0.0007294500000000, 0.0003959500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003463800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0360637800000000 ] - [ 0.0000000000000000, -0.0001872200000000, -0.0010413000000000 ] - [ 0.0001621400000000, 0.0000936100000000, -0.0010413000000000 ] - [ -0.0001621400000000, 0.0000936100000000, -0.0010413000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002495400000000 ] - [ 0.0000000000000000, 0.0001961900000000, 0.0003899700000000 ] - [ -0.0001699100000000, -0.0000981000000000, 0.0003899700000000 ] - [ 0.0001699100000000, -0.0000981000000000, 0.0003899700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004088500000000 ] - [ 0.0000000000000000, 0.0000002500000000, 0.0004028600000000 ] - [ -0.0000002200000000, -0.0000001300000000, 0.0004028600000000 ] - [ 0.0000002200000000, -0.0000001300000000, 0.0004028600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011015900000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0011005800000000 ] - [ 0.0000000400000000, 0.0000000300000000, 0.0011005800000000 ] - [ -0.0000000400000000, 0.0000000300000000, 0.0011005800000000 ] - [ 0.0000000000000000, 0.0040157000000000, 0.0032808300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014258800000000 ] - [ 0.0034776900000000, -0.0020078500000000, 0.0032808300000000 ] - [ -0.0034776900000000, -0.0020078500000000, 0.0032808300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015803700000000 ] - [ 0.0000000000000000, -0.0000000700000000, 0.0015745200000000 ] - [ 0.0000000600000000, 0.0000000300000000, 0.0015745200000000 ] - [ -0.0000000600000000, 0.0000000300000000, 0.0015745200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013092100000000 ] - [ 0.0000000000000000, 0.0000357700000000, 0.0014469900000000 ] - [ -0.0000309800000000, -0.0000178900000000, 0.0014469900000000 ] - [ 0.0000309800000000, -0.0000178900000000, 0.0014469900000000 ] - [ 0.0000316300000000, -0.0000182600000000, -0.0003909100000000 ] - [ -0.0000316300000000, -0.0000182600000000, -0.0003909100000000 ] - [ 0.0000000000000000, 0.0000365300000000, -0.0003909100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004494100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000227600000000 ] - [ 0.0000000000000000, 0.0000000900000000, -0.0000232900000000 ] - [ -0.0000000800000000, -0.0000000500000000, -0.0000232900000000 ] - [ 0.0000000800000000, -0.0000000500000000, -0.0000232900000000 ] - [ -0.0000011100000000, 0.0000006400000000, -0.0011839900000000 ] - [ 0.0000011100000000, 0.0000006400000000, -0.0011839900000000 ] - [ 0.0000000000000000, -0.0000012800000000, -0.0011839900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011854000000000 ] - [ 0.0000000000000000, 0.0000029100000000, 0.0000523500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000421900000000 ] - [ 0.0000025200000000, -0.0000014500000000, 0.0000523500000000 ] - [ -0.0000025200000000, -0.0000014500000000, 0.0000523500000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000401900000000, -0.0001766100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001611300000000 ] - [ -0.0000348000000000, 0.0000200900000000, -0.0001766100000000 ] - [ 0.0000348000000000, 0.0000200900000000, -0.0001766100000000 ] - [ 0.0000000000000000, 0.0000004400000000, 0.0001471600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001463900000000 ] - [ 0.0000003800000000, -0.0000002200000000, 0.0001471600000000 ] - [ -0.0000003800000000, -0.0000002200000000, 0.0001471600000000 ] - [ 0.0000000000000000, 0.0000025900000000, 0.0003392300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003359100000000 ] - [ 0.0000022400000000, -0.0000012900000000, 0.0003392300000000 ] - [ -0.0000022400000000, -0.0000012900000000, 0.0003392300000000 ] - [ 0.0000000000000000, 0.0000025700000000, 0.0006972300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007469700000000 ] - [ 0.0000022200000000, -0.0000012800000000, 0.0006972300000000 ] - [ -0.0000022200000000, -0.0000012800000000, 0.0006972300000000 ] - [ 0.0000049900000000, -0.0000028800000000, 0.0000558100000000 ] - [ -0.0000049900000000, -0.0000028800000000, 0.0000558100000000 ] - [ 0.0000000000000000, 0.0000057600000000, 0.0000558100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000555100000000 ] - [ 0.0000000000000000, -0.0000001700000000, -0.0005406700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005407700000000 ] - [ -0.0000001400000000, 0.0000000800000000, -0.0005406700000000 ] - [ 0.0000001400000000, 0.0000000800000000, -0.0005406700000000 ] - [ 0.0080266300000000, -0.0046341800000000, -0.0092886800000000 ] - [ -0.0080266300000000, -0.0046341800000000, -0.0092886800000000 ] - [ 0.0000000000000000, 0.0092683500000000, -0.0092886800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031798700000000 ] - [ 0.0000001200000000, -0.0000000700000000, -0.0006536900000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0006536900000000 ] - [ 0.0000000000000000, 0.0000001300000000, -0.0006536900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006531900000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0012011800000000 ] - [ 0.0000000100000000, 0.0000000000000000, -0.0012011800000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0012011800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012002900000000 ] - [ -0.0006118300000000, 0.0003532400000000, -0.0009263900000000 ] - [ 0.0006118300000000, 0.0003532400000000, -0.0009263900000000 ] - [ 0.0000000000000000, -0.0007064800000000, -0.0009263900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002100700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0378022300000000 ] - [ 0.0000000000000000, 0.0001794800000000, 0.0023473700000000 ] - [ -0.0001554300000000, -0.0000897400000000, 0.0023473700000000 ] - [ 0.0001554300000000, -0.0000897400000000, 0.0023473700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002495500000000 ] - [ 0.0000000000000000, -0.0001910200000000, 0.0001129300000000 ] - [ 0.0001654300000000, 0.0000955100000000, 0.0001129300000000 ] - [ -0.0001654300000000, 0.0000955100000000, 0.0001129300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002177800000000 ] - [ 0.0000000000000000, -0.0000002300000000, 0.0002235600000000 ] - [ 0.0000002000000000, 0.0000001200000000, 0.0002235600000000 ] - [ -0.0000002000000000, 0.0000001200000000, 0.0002235600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009185700000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0009195800000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0009195800000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0009195800000000 ] - [ 0.0000000000000000, -0.0040752600000000, -0.0042634400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005067400000000 ] - [ -0.0035292800000000, 0.0020376300000000, -0.0042634400000000 ] - [ 0.0035292800000000, 0.0020376300000000, -0.0042634400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013895500000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0013954700000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0013954700000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0013954700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013091900000000 ] - [ 0.0000000000000000, -0.0000357000000000, 0.0011705600000000 ] - [ 0.0000309200000000, 0.0000178500000000, 0.0011705600000000 ] - [ -0.0000309200000000, 0.0000178500000000, 0.0011705600000000 ] - [ -0.0000318900000000, 0.0000184100000000, -0.0005982000000000 ] - [ 0.0000318900000000, 0.0000184100000000, -0.0005982000000000 ] - [ 0.0000000000000000, -0.0000368200000000, -0.0005982000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005393200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002053700000000 ] - [ 0.0000000000000000, -0.0000001000000000, -0.0002048400000000 ] - [ 0.0000000900000000, 0.0000000500000000, -0.0002048400000000 ] - [ -0.0000000900000000, 0.0000000500000000, -0.0002048400000000 ] - [ 0.0000011200000000, -0.0000006400000000, -0.0013655500000000 ] - [ -0.0000011200000000, -0.0000006400000000, -0.0013655500000000 ] - [ 0.0000000000000000, 0.0000012900000000, -0.0013655500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013641200000000 ] - [ 0.0000000000000000, -0.0000028400000000, -0.0001313600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001214400000000 ] - [ -0.0000024600000000, 0.0000014200000000, -0.0001313600000000 ] - [ 0.0000024600000000, 0.0000014200000000, -0.0001313600000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002144000000000, 0.0000149800000000, -0.0002021200000000 ] - [ -0.0009364800000000, 0.0000063600000000, -0.0002060600000000 ] - [ 0.0056076500000000, -0.0030910600000000, 0.0057019200000000 ] - [ 0.0058700100000000, 0.0032892600000000, -0.0063990100000000 ] - [ -0.0000001200000000, -0.0000000100000000, -0.0000344600000000 ] - [ 0.0000000200000000, -0.0000000200000000, -0.0000344500000000 ] - [ -0.0000001200000000, -0.0000000500000000, -0.0000343200000000 ] - [ -0.0000001100000000, -0.0000000700000000, -0.0000345900000000 ] - [ 0.0000001100000000, -0.0000001000000000, 0.0001569800000000 ] - [ -0.0000002600000000, -0.0000000200000000, 0.0001570100000000 ] - [ 0.0000002100000000, -0.0000001000000000, 0.0001566800000000 ] - [ 0.0000003300000000, 0.0000000600000000, 0.0001572700000000 ] - [ 0.0000021900000000, 0.0000000100000000, 0.0005271500000000 ] - [ -0.0000018000000000, -0.0000000900000000, 0.0005271400000000 ] - [ -0.0000003100000000, 0.0000014100000000, 0.0005274500000000 ] - [ -0.0000003400000000, -0.0000014500000000, 0.0005268500000000 ] - [ 0.0000048600000000, -0.0000300800000000, -0.0001091900000000 ] - [ 0.0000031600000000, 0.0000313400000000, -0.0001362500000000 ] - [ -0.0000491300000000, -0.0000001100000000, -0.0001235900000000 ] - [ -0.0001469800000000, -0.0000029200000000, -0.0001228000000000 ] - [ -0.0000002300000000, 0.0000000300000000, -0.0007216100000000 ] - [ -0.0000006200000000, 0.0000000500000000, -0.0007216000000000 ] - [ 0.0000006800000000, -0.0000004900000000, -0.0007222600000000 ] - [ 0.0000006900000000, 0.0000005500000000, -0.0007209400000000 ] - [ -0.0000037300000000, -0.0000983900000000, -0.0002110700000000 ] - [ -0.0000036600000000, 0.0000986200000000, -0.0003508600000000 ] - [ -0.0001743200000000, -0.0000000100000000, -0.0002809600000000 ] - [ 0.0002037000000000, 0.0000000200000000, -0.0002810100000000 ] - [ 0.0000007800000000, -0.0000007300000000, -0.0005659400000000 ] - [ 0.0000007500000000, 0.0000014100000000, -0.0005669800000000 ] - [ -0.0000010400000000, 0.0000003000000000, -0.0005665900000000 ] - [ -0.0000028300000000, 0.0000002400000000, -0.0005664800000000 ] - [ -0.0000003500000000, 0.0000005200000000, -0.0011126100000000 ] - [ -0.0000003400000000, -0.0000002000000000, -0.0011125500000000 ] - [ 0.0000002500000000, 0.0000001900000000, -0.0011124700000000 ] - [ -0.0000001300000000, 0.0000002000000000, -0.0011125200000000 ] - [ 0.0018054400000000, -0.0022287200000000, -0.0037719600000000 ] - [ 0.0018087100000000, 0.0022069500000000, 0.0031888800000000 ] - [ -0.0020342600000000, -0.0000065200000000, -0.0002712500000000 ] - [ -0.0007420700000000, -0.0000045000000000, -0.0002763700000000 ] - [ 0.0000286600000000, 0.0000000200000000, 0.0006583200000000 ] - [ -0.0000066100000000, -0.0000000900000000, 0.0006587300000000 ] - [ -0.0000460800000000, -0.0000228700000000, 0.0004907700000000 ] - [ -0.0000463600000000, 0.0000228500000000, 0.0008260600000000 ] - [ -0.0269191000000000, -0.0002004300000000, 0.0005189900000000 ] - [ 0.0107463300000000, -0.0000057100000000, 0.0002553100000000 ] - [ 0.0019860300000000, -0.0050488600000000, 0.0000920900000000 ] - [ 0.0019959200000000, 0.0050606400000000, 0.0004099300000000 ] - [ 0.0000287700000000, -0.0000002300000000, 0.0003144900000000 ] - [ -0.0000067100000000, -0.0000005900000000, 0.0003153000000000 ] - [ -0.0000469900000000, -0.0000223300000000, 0.0002838500000000 ] - [ -0.0000459100000000, 0.0000235300000000, 0.0003455500000000 ] - [ 0.0000005500000000, -0.0000001900000000, 0.0010115800000000 ] - [ 0.0000003200000000, -0.0000001700000000, 0.0010115600000000 ] - [ 0.0000008000000000, 0.0000001300000000, 0.0010116500000000 ] - [ 0.0000007700000000, -0.0000004500000000, 0.0010116800000000 ] - [ -0.0000440400000000, -0.0000000500000000, -0.0004612400000000 ] - [ 0.0000286300000000, 0.0000000100000000, -0.0004613400000000 ] - [ 0.0000087000000000, -0.0000305300000000, -0.0005258700000000 ] - [ 0.0000087900000000, 0.0000303900000000, -0.0003968900000000 ] - [ 0.0000006700000000, -0.0000001500000000, 0.0014861900000000 ] - [ 0.0000001900000000, -0.0000001700000000, 0.0014861600000000 ] - [ 0.0000007900000000, 0.0000001400000000, 0.0014859900000000 ] - [ 0.0000007500000000, -0.0000005000000000, 0.0014862300000000 ] - [ 0.0000022000000000, -0.0000001900000000, 0.0013096400000000 ] - [ 0.0000001800000000, -0.0000001700000000, 0.0013096800000000 ] - [ 0.0000002200000000, -0.0000001500000000, 0.0013099500000000 ] - [ 0.0000002000000000, -0.0000002100000000, 0.0013095000000000 ] - [ -0.0000003800000000, 0.0000000000000000, -0.0004975300000000 ] - [ -0.0000003800000000, 0.0000000600000000, -0.0004948200000000 ] - [ -0.0000004600000000, 0.0000000500000000, -0.0004960600000000 ] - [ 0.0000002400000000, 0.0000000700000000, -0.0004960600000000 ] - [ 0.0000021400000000, -0.0000001400000000, -0.0001123700000000 ] - [ 0.0000001400000000, -0.0000001800000000, -0.0001122900000000 ] - [ 0.0000002700000000, -0.0000001500000000, -0.0001122000000000 ] - [ 0.0000002400000000, -0.0000002100000000, -0.0001126100000000 ] - [ 0.0000002400000000, 0.0000000200000000, -0.0012764400000000 ] - [ 0.0000002700000000, 0.0000002300000000, -0.0012764800000000 ] - [ 0.0000000800000000, 0.0000001100000000, -0.0012765500000000 ] - [ -0.0000006300000000, 0.0000000900000000, -0.0012764900000000 ] - [ -0.0000149600000000, 0.0000036300000000, -0.0000454600000000 ] - [ -0.0000214700000000, -0.0000000200000000, -0.0000419100000000 ] - [ 0.0004631300000000, -0.0002748600000000, -0.0005183200000000 ] - [ 0.0004691500000000, 0.0002807100000000, 0.0004472400000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0089898400000000, 0.0087013400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026784700000000 ] - [ 0.0077854300000000, -0.0044949200000000, 0.0087013400000000 ] - [ -0.0077854300000000, -0.0044949200000000, 0.0087013400000000 ] - [ 0.0000000000000000, 0.0000002500000000, -0.0002153800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002155000000000 ] - [ 0.0000002200000000, -0.0000001300000000, -0.0002153800000000 ] - [ -0.0000002200000000, -0.0000001300000000, -0.0002153800000000 ] - [ 0.0000000000000000, -0.0000004900000000, -0.0000240600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000231100000000 ] - [ -0.0000004300000000, 0.0000002500000000, -0.0000240600000000 ] - [ 0.0000004300000000, 0.0000002500000000, -0.0000240600000000 ] - [ 0.0000000000000000, -0.0000031000000000, 0.0003461900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003490700000000 ] - [ -0.0000026800000000, 0.0000015500000000, 0.0003461900000000 ] - [ 0.0000026800000000, 0.0000015500000000, 0.0003461900000000 ] - [ -0.0000364200000000, 0.0000210300000000, -0.0001550400000000 ] - [ 0.0000364200000000, 0.0000210300000000, -0.0001550400000000 ] - [ 0.0000000000000000, -0.0000420500000000, -0.0001550400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005025400000000 ] - [ 0.0000000000000000, 0.0000058500000000, -0.0009025500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009022500000000 ] - [ 0.0000050700000000, -0.0000029300000000, -0.0009025500000000 ] - [ -0.0000050700000000, -0.0000029300000000, -0.0009025500000000 ] - [ 0.0000023600000000, -0.0000013600000000, -0.0004521200000000 ] - [ -0.0000023600000000, -0.0000013600000000, -0.0004521200000000 ] - [ 0.0000000000000000, 0.0000027200000000, -0.0004521200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005013000000000 ] - [ -0.0000025000000000, 0.0000014400000000, -0.0004725700000000 ] - [ 0.0000025000000000, 0.0000014400000000, -0.0004725700000000 ] - [ 0.0000000000000000, -0.0000028800000000, -0.0004725700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004827500000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0010202500000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0010202500000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0010202500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010209400000000 ] - [ -0.0034772300000000, 0.0020075800000000, 0.0034647800000000 ] - [ 0.0034772300000000, 0.0020075800000000, 0.0034647800000000 ] - [ 0.0000000000000000, -0.0040151600000000, 0.0034647800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012414100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006575200000000 ] - [ 0.0000000000000000, -0.0000355500000000, 0.0007955000000000 ] - [ 0.0000307900000000, 0.0000177800000000, 0.0007955000000000 ] - [ -0.0000307900000000, 0.0000177800000000, 0.0007955000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0365021300000000 ] - [ 0.0000000000000000, 0.0001872000000000, -0.0014473100000000 ] - [ -0.0001621200000000, -0.0000936000000000, -0.0014473100000000 ] - [ 0.0001621200000000, -0.0000936000000000, -0.0014473100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003121800000000 ] - [ 0.0000000000000000, -0.0001967300000000, 0.0004530800000000 ] - [ 0.0001703800000000, 0.0000983700000000, 0.0004530800000000 ] - [ -0.0001703800000000, 0.0000983700000000, 0.0004530800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011016800000000 ] - [ 0.0000000000000000, 0.0000001300000000, 0.0011011300000000 ] - [ -0.0000001100000000, -0.0000000600000000, 0.0011011300000000 ] - [ 0.0000001100000000, -0.0000000600000000, 0.0011011300000000 ] - [ 0.0000000000000000, -0.0000364400000000, -0.0003560200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004147300000000 ] - [ -0.0000315600000000, 0.0000182200000000, -0.0003560200000000 ] - [ 0.0000315600000000, 0.0000182200000000, -0.0003560200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015762200000000 ] - [ 0.0000000000000000, -0.0000000300000000, 0.0015751300000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0015751300000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0015751300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014044700000000 ] - [ 0.0000000000000000, -0.0000002200000000, 0.0013985900000000 ] - [ 0.0000001900000000, 0.0000001100000000, 0.0013985900000000 ] - [ -0.0000001900000000, 0.0000001100000000, 0.0013985900000000 ] - [ -0.0000007600000000, 0.0000004400000000, -0.0004033300000000 ] - [ 0.0000007600000000, 0.0000004400000000, -0.0004033300000000 ] - [ 0.0000000000000000, -0.0000008800000000, -0.0004033300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004058200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000177800000000 ] - [ 0.0000000000000000, -0.0000002400000000, -0.0000238400000000 ] - [ 0.0000002100000000, 0.0000001200000000, -0.0000238400000000 ] - [ -0.0000002100000000, 0.0000001200000000, -0.0000238400000000 ] - [ 0.0000000300000000, -0.0000000200000000, -0.0011837800000000 ] - [ -0.0000000300000000, -0.0000000200000000, -0.0011837800000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0011837800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011847100000000 ] - [ 0.0000000000000000, -0.0007331800000000, 0.0006357100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001101900000000 ] - [ -0.0006349500000000, 0.0003665900000000, 0.0006357100000000 ] - [ 0.0006349500000000, 0.0003665900000000, 0.0006357100000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0092679500000000, -0.0092169600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031084800000000 ] - [ -0.0080262800000000, 0.0046339700000000, -0.0092169600000000 ] - [ 0.0080262800000000, 0.0046339700000000, -0.0092169600000000 ] - [ 0.0000000000000000, -0.0000001900000000, 0.0001461600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001462600000000 ] - [ -0.0000001600000000, 0.0000000900000000, 0.0001461600000000 ] - [ 0.0000001600000000, 0.0000000900000000, 0.0001461600000000 ] - [ 0.0000000000000000, 0.0000004000000000, 0.0003375400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003366600000000 ] - [ 0.0000003400000000, -0.0000002000000000, 0.0003375400000000 ] - [ -0.0000003400000000, -0.0000002000000000, 0.0003375400000000 ] - [ 0.0000000000000000, 0.0000031300000000, 0.0007075200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007046200000000 ] - [ 0.0000027100000000, -0.0000015700000000, 0.0007075200000000 ] - [ -0.0000027100000000, -0.0000015700000000, 0.0007075200000000 ] - [ 0.0000347200000000, -0.0000200500000000, -0.0000886100000000 ] - [ -0.0000347200000000, -0.0000200500000000, -0.0000886100000000 ] - [ 0.0000000000000000, 0.0000401000000000, -0.0000886100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002497400000000 ] - [ 0.0000000000000000, -0.0000057500000000, -0.0005418200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005421200000000 ] - [ -0.0000049800000000, 0.0000028700000000, -0.0005418200000000 ] - [ 0.0000049800000000, 0.0000028700000000, -0.0005418200000000 ] - [ -0.0000022100000000, 0.0000012700000000, -0.0001113200000000 ] - [ 0.0000022100000000, 0.0000012700000000, -0.0001113200000000 ] - [ 0.0000000000000000, -0.0000025500000000, -0.0001113200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000615500000000 ] - [ 0.0000024100000000, -0.0000013900000000, -0.0006592000000000 ] - [ -0.0000024100000000, -0.0000013900000000, -0.0006592000000000 ] - [ 0.0000000000000000, 0.0000027800000000, -0.0006592000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006492100000000 ] - [ 0.0000001100000000, -0.0000000600000000, -0.0012056600000000 ] - [ -0.0000001100000000, -0.0000000600000000, -0.0012056600000000 ] - [ 0.0000000000000000, 0.0000001200000000, -0.0012056600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012049800000000 ] - [ 0.0035288200000000, -0.0020373700000000, -0.0040836800000000 ] - [ -0.0035288200000000, -0.0020373700000000, -0.0040836800000000 ] - [ 0.0000000000000000, 0.0040747300000000, -0.0040836800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006860700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006610700000000 ] - [ 0.0000000000000000, 0.0000354900000000, 0.0005222800000000 ] - [ -0.0000307300000000, -0.0000177400000000, 0.0005222800000000 ] - [ 0.0000307300000000, -0.0000177400000000, 0.0005222800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0374339400000000 ] - [ 0.0000000000000000, -0.0001794100000000, 0.0019430000000000 ] - [ 0.0001553700000000, 0.0000897000000000, 0.0019430000000000 ] - [ -0.0001553700000000, 0.0000897000000000, 0.0019430000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003158100000000 ] - [ 0.0000000000000000, 0.0001915500000000, 0.0001788200000000 ] - [ -0.0001658900000000, -0.0000957800000000, 0.0001788200000000 ] - [ 0.0001658900000000, -0.0000957800000000, 0.0001788200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009225800000000 ] - [ 0.0000000000000000, -0.0000001700000000, 0.0009231300000000 ] - [ 0.0000001500000000, 0.0000000800000000, 0.0009231300000000 ] - [ -0.0000001500000000, 0.0000000800000000, 0.0009231300000000 ] - [ 0.0000000000000000, 0.0000367300000000, -0.0005662100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005073600000000 ] - [ 0.0000318100000000, -0.0000183700000000, -0.0005662100000000 ] - [ -0.0000318100000000, -0.0000183700000000, -0.0005662100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013965100000000 ] - [ 0.0000000000000000, -0.0000000500000000, 0.0013976300000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0013976300000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0013976300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012175000000000 ] - [ 0.0000000000000000, 0.0000002300000000, 0.0012234300000000 ] - [ -0.0000002000000000, -0.0000001100000000, 0.0012234300000000 ] - [ 0.0000002000000000, -0.0000001100000000, 0.0012234300000000 ] - [ 0.0000008100000000, -0.0000004700000000, -0.0005905500000000 ] - [ -0.0000008100000000, -0.0000004700000000, -0.0005905500000000 ] - [ 0.0000000000000000, 0.0000009300000000, -0.0005905500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005881000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002070600000000 ] - [ 0.0000000000000000, 0.0000001800000000, -0.0002011500000000 ] - [ -0.0000001600000000, -0.0000000900000000, -0.0002011500000000 ] - [ 0.0000001600000000, -0.0000000900000000, -0.0002011500000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0013691800000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0013691800000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0013691800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013684600000000 ] - [ 0.0000000000000000, 0.0007101400000000, -0.0006971300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000223800000000 ] - [ 0.0006150000000000, -0.0003550700000000, -0.0006971300000000 ] - [ -0.0006150000000000, -0.0003550700000000, -0.0006971300000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001745600000000, -0.0000000300000000, -0.0002115200000000 ] - [ 0.0002042400000000, -0.0000000300000000, -0.0002115900000000 ] - [ -0.0000036100000000, -0.0000987800000000, -0.0002816200000000 ] - [ -0.0000035800000000, 0.0000986600000000, -0.0001414400000000 ] - [ 0.0000014500000000, -0.0000000200000000, -0.0000345300000000 ] - [ -0.0000016900000000, -0.0000000200000000, -0.0000345200000000 ] - [ 0.0000007300000000, 0.0000003800000000, -0.0000335700000000 ] - [ 0.0000007300000000, -0.0000004800000000, -0.0000354700000000 ] - [ -0.0000002400000000, -0.0000000900000000, 0.0001569100000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0001569500000000 ] - [ -0.0000002800000000, -0.0000000200000000, 0.0001570700000000 ] - [ -0.0000001700000000, -0.0000000400000000, 0.0001567500000000 ] - [ -0.0000000600000000, 0.0000000300000000, 0.0005271000000000 ] - [ -0.0000001500000000, -0.0000000900000000, 0.0005270700000000 ] - [ 0.0000002600000000, -0.0000002100000000, 0.0005266600000000 ] - [ 0.0000002000000000, 0.0000001600000000, 0.0005275300000000 ] - [ 0.0058684600000000, -0.0032879400000000, -0.0063099700000000 ] - [ 0.0056060200000000, 0.0030898800000000, 0.0057893400000000 ] - [ 0.0002150000000000, -0.0000150400000000, -0.0001139600000000 ] - [ -0.0009368400000000, -0.0000065800000000, -0.0001178600000000 ] - [ -0.0000487600000000, 0.0000000900000000, -0.0007220700000000 ] - [ -0.0001458100000000, 0.0000028000000000, -0.0007213200000000 ] - [ 0.0000032200000000, -0.0000309500000000, -0.0007348600000000 ] - [ 0.0000048100000000, 0.0000299700000000, -0.0007076100000000 ] - [ -0.0000003500000000, 0.0000015000000000, -0.0002812600000000 ] - [ -0.0000003000000000, -0.0000013700000000, -0.0002807700000000 ] - [ 0.0000021500000000, 0.0000000300000000, -0.0002810200000000 ] - [ -0.0000017400000000, 0.0000000600000000, -0.0002810100000000 ] - [ 0.0004635600000000, -0.0002777100000000, -0.0000815500000000 ] - [ 0.0004574600000000, 0.0002723000000000, -0.0010395700000000 ] - [ -0.0000157500000000, -0.0000034000000000, -0.0005703900000000 ] - [ -0.0000217000000000, 0.0000001500000000, -0.0005668100000000 ] - [ 0.0000003700000000, -0.0000010100000000, -0.0011115300000000 ] - [ 0.0000003700000000, 0.0000013200000000, -0.0011137200000000 ] - [ -0.0000016700000000, 0.0000001900000000, -0.0011124900000000 ] - [ -0.0000030700000000, 0.0000002200000000, -0.0011125500000000 ] - [ 0.0000082500000000, -0.0000302700000000, -0.0002132200000000 ] - [ 0.0000081900000000, 0.0000308000000000, -0.0003424800000000 ] - [ -0.0000446600000000, 0.0000001900000000, -0.0002776400000000 ] - [ 0.0000281100000000, 0.0000001600000000, -0.0002778400000000 ] - [ 0.0000017400000000, 0.0000000900000000, 0.0006581600000000 ] - [ -0.0000002800000000, 0.0000001000000000, 0.0006582100000000 ] - [ -0.0000002400000000, 0.0000001100000000, 0.0006578700000000 ] - [ -0.0000002600000000, 0.0000000600000000, 0.0006584800000000 ] - [ 0.0000292700000000, -0.0000001000000000, 0.0002518800000000 ] - [ -0.0000062100000000, 0.0000000200000000, 0.0002521500000000 ] - [ -0.0000461000000000, -0.0000230500000000, 0.0004199500000000 ] - [ -0.0000458300000000, 0.0000228800000000, 0.0000839300000000 ] - [ -0.0269116200000000, 0.0002007200000000, 0.0005874200000000 ] - [ 0.0107461900000000, 0.0000051300000000, 0.0003180400000000 ] - [ 0.0019954600000000, -0.0050606800000000, 0.0004723900000000 ] - [ 0.0019857400000000, 0.0050490500000000, 0.0001548900000000 ] - [ 0.0000004200000000, -0.0000001900000000, 0.0010114400000000 ] - [ 0.0000018700000000, -0.0000001700000000, 0.0010114200000000 ] - [ 0.0000004200000000, -0.0000009800000000, 0.0010116500000000 ] - [ 0.0000003700000000, 0.0000006700000000, 0.0010114800000000 ] - [ 0.0000001900000000, -0.0000000300000000, -0.0004613200000000 ] - [ 0.0000008700000000, -0.0000000400000000, -0.0004613400000000 ] - [ 0.0000003000000000, -0.0000000600000000, -0.0004599100000000 ] - [ 0.0000002900000000, 0.0000000300000000, -0.0004627100000000 ] - [ 0.0000006600000000, -0.0000001500000000, 0.0014860500000000 ] - [ 0.0000002900000000, -0.0000001700000000, 0.0014860100000000 ] - [ 0.0000008100000000, 0.0000001100000000, 0.0014860100000000 ] - [ 0.0000007700000000, -0.0000004400000000, 0.0014859400000000 ] - [ 0.0000006400000000, -0.0000001900000000, 0.0013094800000000 ] - [ 0.0000001900000000, -0.0000001600000000, 0.0013095500000000 ] - [ 0.0000007900000000, 0.0000001700000000, 0.0013096300000000 ] - [ 0.0000007600000000, -0.0000005200000000, 0.0013095200000000 ] - [ 0.0000002000000000, -0.0000002000000000, -0.0004960900000000 ] - [ 0.0000002000000000, 0.0000002600000000, -0.0004962800000000 ] - [ -0.0000002300000000, 0.0000000500000000, -0.0004960800000000 ] - [ -0.0000005800000000, 0.0000000600000000, -0.0004960700000000 ] - [ 0.0000293200000000, 0.0000001300000000, -0.0001127700000000 ] - [ -0.0000051900000000, 0.0000004700000000, -0.0001118700000000 ] - [ -0.0000446400000000, -0.0000238100000000, -0.0000811000000000 ] - [ -0.0000456800000000, 0.0000224200000000, -0.0001439600000000 ] - [ -0.0000003900000000, 0.0000004400000000, -0.0012765900000000 ] - [ -0.0000003600000000, -0.0000001800000000, -0.0012763600000000 ] - [ 0.0000001800000000, 0.0000001200000000, -0.0012765400000000 ] - [ -0.0000002100000000, 0.0000001000000000, -0.0012764900000000 ] - [ -0.0020337300000000, 0.0000065900000000, -0.0000351500000000 ] - [ -0.0007415200000000, 0.0000045900000000, -0.0000401000000000 ] - [ 0.0018099300000000, -0.0022072500000000, 0.0034259200000000 ] - [ 0.0018066600000000, 0.0022292300000000, -0.0035363700000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000027200000000, -0.0003826900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004321200000000 ] - [ -0.0000023600000000, 0.0000013600000000, -0.0003826900000000 ] - [ 0.0000023600000000, 0.0000013600000000, -0.0003826900000000 ] - [ 0.0000000000000000, -0.0000119900000000, -0.0002178400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002077600000000 ] - [ -0.0000103900000000, 0.0000060000000000, -0.0002178400000000 ] - [ 0.0000103900000000, 0.0000060000000000, -0.0002178400000000 ] - [ 0.0000000000000000, 0.0000002400000000, -0.0000246900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000243700000000 ] - [ 0.0000002100000000, -0.0000001200000000, -0.0000246900000000 ] - [ -0.0000002100000000, -0.0000001200000000, -0.0000246900000000 ] - [ 0.0000000000000000, -0.0000005100000000, 0.0003463900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003472100000000 ] - [ -0.0000004400000000, 0.0000002500000000, 0.0003463900000000 ] - [ 0.0000004400000000, 0.0000002500000000, 0.0003463900000000 ] - [ -0.0077849900000000, 0.0044946700000000, 0.0087895700000000 ] - [ 0.0077849900000000, 0.0044946700000000, 0.0087895700000000 ] - [ 0.0000000000000000, -0.0089893300000000, 0.0087895700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027665800000000 ] - [ 0.0000000000000000, 0.0000421500000000, -0.0007550400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011029900000000 ] - [ 0.0000365100000000, -0.0000210800000000, -0.0007550400000000 ] - [ -0.0000365100000000, -0.0000210800000000, -0.0007550400000000 ] - [ 0.0000026800000000, -0.0000015500000000, -0.0004628200000000 ] - [ -0.0000026800000000, -0.0000015500000000, -0.0004628200000000 ] - [ 0.0000000000000000, 0.0000030900000000, -0.0004628200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004599300000000 ] - [ 0.0006302100000000, -0.0003638500000000, 0.0001060700000000 ] - [ -0.0006302100000000, -0.0003638500000000, 0.0001060700000000 ] - [ 0.0000000000000000, 0.0007277100000000, 0.0001060700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006360700000000 ] - [ 0.0000006400000000, -0.0000003700000000, -0.0010277600000000 ] - [ -0.0000006400000000, -0.0000003700000000, -0.0010277600000000 ] - [ 0.0000000000000000, 0.0000007400000000, -0.0010277600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009996300000000 ] - [ 0.0000315700000000, -0.0000182300000000, -0.0001741200000000 ] - [ -0.0000315700000000, -0.0000182300000000, -0.0001741200000000 ] - [ 0.0000000000000000, 0.0000364600000000, -0.0001741200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002328700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007530200000000 ] - [ 0.0000000000000000, 0.0000002500000000, 0.0007471900000000 ] - [ -0.0000002200000000, -0.0000001300000000, 0.0007471900000000 ] - [ 0.0000002200000000, -0.0000001300000000, 0.0007471900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002516000000000 ] - [ 0.0000000000000000, 0.0000356600000000, 0.0003900000000000 ] - [ -0.0000308800000000, -0.0000178300000000, 0.0003900000000000 ] - [ 0.0000308800000000, -0.0000178300000000, 0.0003900000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0363869000000000 ] - [ 0.0000000000000000, -0.0001870600000000, -0.0013852100000000 ] - [ 0.0001620000000000, 0.0000935300000000, -0.0013852100000000 ] - [ -0.0001620000000000, 0.0000935300000000, -0.0013852100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010984600000000 ] - [ 0.0000000000000000, -0.0000051000000000, 0.0011028500000000 ] - [ 0.0000044200000000, 0.0000025500000000, 0.0011028500000000 ] - [ -0.0000044200000000, 0.0000025500000000, 0.0011028500000000 ] - [ 0.0000000000000000, 0.0000008600000000, -0.0003694700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003720500000000 ] - [ 0.0000007500000000, -0.0000004300000000, -0.0003694700000000 ] - [ -0.0000007500000000, -0.0000004300000000, -0.0003694700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015758500000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0015750500000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0015750500000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0015750500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014010200000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0013998800000000 ] - [ -0.0000000100000000, 0.0000000000000000, 0.0013998800000000 ] - [ 0.0000000100000000, 0.0000000000000000, 0.0013998800000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0004051500000000 ] - [ -0.0000000500000000, -0.0000000300000000, -0.0004051500000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0004051500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004062200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001132800000000 ] - [ 0.0000000000000000, 0.0001924900000000, 0.0000247000000000 ] - [ -0.0001667000000000, -0.0000962500000000, 0.0000247000000000 ] - [ 0.0001667000000000, -0.0000962500000000, 0.0000247000000000 ] - [ -0.0000002600000000, 0.0000001500000000, -0.0011847300000000 ] - [ 0.0000002600000000, 0.0000001500000000, -0.0011847300000000 ] - [ 0.0000000000000000, -0.0000003000000000, -0.0011847300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011855900000000 ] - [ 0.0000000000000000, 0.0040153600000000, 0.0036988800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010071400000000 ] - [ 0.0034774000000000, -0.0020076800000000, 0.0036988800000000 ] - [ -0.0034774000000000, -0.0020076800000000, 0.0036988800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000025300000000, -0.0000415500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000083700000000 ] - [ 0.0000021900000000, -0.0000012600000000, -0.0000415500000000 ] - [ -0.0000021900000000, -0.0000012600000000, -0.0000415500000000 ] - [ 0.0000000000000000, 0.0000117400000000, 0.0001480400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001382100000000 ] - [ 0.0000101700000000, -0.0000058700000000, 0.0001480400000000 ] - [ -0.0000101700000000, -0.0000058700000000, 0.0001480400000000 ] - [ 0.0000000000000000, -0.0000003400000000, 0.0003376800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003374500000000 ] - [ -0.0000002900000000, 0.0000001700000000, 0.0003376800000000 ] - [ 0.0000002900000000, 0.0000001700000000, 0.0003376800000000 ] - [ 0.0000000000000000, 0.0000005400000000, 0.0007069000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007060800000000 ] - [ 0.0000004700000000, -0.0000002700000000, 0.0007069000000000 ] - [ -0.0000004700000000, -0.0000002700000000, 0.0007069000000000 ] - [ 0.0080256700000000, -0.0046336200000000, -0.0091289200000000 ] - [ -0.0080256700000000, -0.0046336200000000, -0.0091289200000000 ] - [ 0.0000000000000000, 0.0092672500000000, -0.0091289200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030204600000000 ] - [ 0.0000000000000000, -0.0000403100000000, -0.0006860300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003470500000000 ] - [ -0.0000349100000000, 0.0000201500000000, -0.0006860300000000 ] - [ 0.0000349100000000, 0.0000201500000000, -0.0006860300000000 ] - [ -0.0000026600000000, 0.0000015300000000, -0.0001008500000000 ] - [ 0.0000026600000000, 0.0000015300000000, -0.0001008500000000 ] - [ 0.0000000000000000, -0.0000030700000000, -0.0001008500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001036800000000 ] - [ -0.0006103200000000, 0.0003523700000000, -0.0012168500000000 ] - [ 0.0006103200000000, 0.0003523700000000, -0.0012168500000000 ] - [ 0.0000000000000000, -0.0007047400000000, -0.0012168500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005007000000000 ] - [ -0.0000006000000000, 0.0000003500000000, -0.0011982300000000 ] - [ 0.0000006000000000, 0.0000003500000000, -0.0011982300000000 ] - [ 0.0000000000000000, -0.0000006900000000, -0.0011982300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012258500000000 ] - [ -0.0000319200000000, 0.0000184300000000, -0.0003806000000000 ] - [ 0.0000319200000000, 0.0000184300000000, -0.0003806000000000 ] - [ 0.0000000000000000, -0.0000368500000000, -0.0003806000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003216700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005627600000000 ] - [ 0.0000000000000000, -0.0000002200000000, 0.0005687200000000 ] - [ 0.0000001900000000, 0.0000001100000000, 0.0005687200000000 ] - [ -0.0000001900000000, 0.0000001100000000, 0.0005687200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002528000000000 ] - [ 0.0000000000000000, -0.0000355900000000, 0.0001135400000000 ] - [ 0.0000308200000000, 0.0000178000000000, 0.0001135400000000 ] - [ -0.0000308200000000, 0.0000178000000000, 0.0001135400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0374749700000000 ] - [ 0.0000000000000000, 0.0001793800000000, 0.0020059000000000 ] - [ -0.0001553500000000, -0.0000896900000000, 0.0020059000000000 ] - [ 0.0001553500000000, -0.0000896900000000, 0.0020059000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009246600000000 ] - [ 0.0000000000000000, 0.0000049300000000, 0.0009203300000000 ] - [ -0.0000042700000000, -0.0000024700000000, 0.0009203300000000 ] - [ 0.0000042700000000, -0.0000024700000000, 0.0009203300000000 ] - [ 0.0000000000000000, -0.0000009200000000, -0.0005510800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005487000000000 ] - [ -0.0000008000000000, 0.0000004600000000, -0.0005510800000000 ] - [ 0.0000008000000000, 0.0000004600000000, -0.0005510800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013949800000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0013957500000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0013957500000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0013957500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012186600000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0012197800000000 ] - [ 0.0000000100000000, 0.0000000100000000, 0.0012197800000000 ] - [ -0.0000000100000000, 0.0000000100000000, 0.0012197800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005872900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005872900000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0005872900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005862800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001141300000000 ] - [ 0.0000000000000000, -0.0001874900000000, -0.0002482300000000 ] - [ 0.0001623700000000, 0.0000937400000000, -0.0002482300000000 ] - [ -0.0001623700000000, 0.0000937400000000, -0.0002482300000000 ] - [ 0.0000002700000000, -0.0000001600000000, -0.0013673100000000 ] - [ -0.0000002700000000, -0.0000001600000000, -0.0013673100000000 ] - [ 0.0000000000000000, 0.0000003100000000, -0.0013673100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013666200000000 ] - [ 0.0000000000000000, -0.0040749800000000, -0.0038457400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009242900000000 ] - [ -0.0035290300000000, 0.0020374900000000, -0.0038457400000000 ] - [ 0.0035290300000000, 0.0020374900000000, -0.0038457400000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000000900000000, -0.0000000700000000, -0.0002115600000000 ] - [ -0.0000001600000000, -0.0000000900000000, -0.0002115800000000 ] - [ 0.0000003500000000, -0.0000001500000000, -0.0002119900000000 ] - [ 0.0000003600000000, 0.0000001700000000, -0.0002111800000000 ] - [ 0.0002274900000000, 0.0000131400000000, -0.0000260800000000 ] - [ -0.0009417200000000, 0.0000061300000000, -0.0000292000000000 ] - [ 0.0057034100000000, -0.0031381000000000, 0.0059722900000000 ] - [ 0.0059633900000000, 0.0033362600000000, -0.0063163100000000 ] - [ -0.0000234800000000, 0.0000002000000000, 0.0001578400000000 ] - [ -0.0002399700000000, -0.0000000600000000, 0.0001569300000000 ] - [ -0.0000047000000000, -0.0000106100000000, 0.0001560900000000 ] - [ -0.0000055300000000, 0.0000105700000000, 0.0001590000000000 ] - [ 0.0000006300000000, 0.0000000000000000, 0.0005270900000000 ] - [ -0.0000015700000000, -0.0000001200000000, 0.0005270600000000 ] - [ 0.0000007100000000, -0.0000000400000000, 0.0005281000000000 ] - [ 0.0000006500000000, 0.0000000400000000, 0.0005260000000000 ] - [ -0.0000002600000000, 0.0000017400000000, -0.0001248700000000 ] - [ -0.0000003300000000, -0.0000015900000000, -0.0001216600000000 ] - [ 0.0000026400000000, -0.0000000500000000, -0.0001233000000000 ] - [ -0.0000021900000000, -0.0000001200000000, -0.0001232900000000 ] - [ 0.0001417200000000, 0.0000001100000000, -0.0007217500000000 ] - [ -0.0001114900000000, -0.0000000600000000, -0.0007217400000000 ] - [ -0.0000117500000000, 0.0000888900000000, -0.0006275600000000 ] - [ -0.0000120700000000, -0.0000885200000000, -0.0008158500000000 ] - [ -0.0000003200000000, 0.0000000900000000, -0.0002811900000000 ] - [ -0.0000002400000000, 0.0000000300000000, -0.0002809700000000 ] - [ -0.0000002300000000, 0.0000000100000000, -0.0002810800000000 ] - [ -0.0000000600000000, 0.0000000700000000, -0.0002810800000000 ] - [ 0.0000057700000000, 0.0000364000000000, -0.0005795400000000 ] - [ 0.0000057300000000, -0.0000358000000000, -0.0005531400000000 ] - [ 0.0000683200000000, 0.0000003300000000, -0.0005664900000000 ] - [ -0.0000889200000000, 0.0000002800000000, -0.0005663700000000 ] - [ 0.0018206200000000, -0.0022215400000000, -0.0046361100000000 ] - [ 0.0018253100000000, 0.0021994100000000, 0.0023842000000000 ] - [ -0.0020056400000000, -0.0000056400000000, -0.0011067900000000 ] - [ -0.0007189000000000, -0.0000047500000000, -0.0011109900000000 ] - [ 0.0000003100000000, 0.0000000500000000, -0.0002776200000000 ] - [ 0.0000003300000000, 0.0000003900000000, -0.0002777100000000 ] - [ 0.0000000400000000, 0.0000001700000000, -0.0002775900000000 ] - [ -0.0000005400000000, 0.0000002000000000, -0.0002776900000000 ] - [ 0.0000001200000000, 0.0000001000000000, 0.0006581900000000 ] - [ -0.0000001400000000, 0.0000001000000000, 0.0006582400000000 ] - [ 0.0000003300000000, 0.0000003500000000, 0.0006582400000000 ] - [ 0.0000003000000000, -0.0000001900000000, 0.0006581700000000 ] - [ 0.0000006600000000, -0.0000001700000000, 0.0002519000000000 ] - [ 0.0000002000000000, -0.0000001600000000, 0.0002518200000000 ] - [ 0.0000007600000000, 0.0000001500000000, 0.0002517000000000 ] - [ 0.0000007800000000, -0.0000005000000000, 0.0002520300000000 ] - [ 0.0000000100000000, 0.0000000700000000, 0.0003146200000000 ] - [ 0.0000014700000000, 0.0000000800000000, 0.0003146600000000 ] - [ -0.0000001600000000, -0.0000008200000000, 0.0003189200000000 ] - [ -0.0000001200000000, 0.0000010100000000, 0.0003103100000000 ] - [ -0.0273341400000000, -0.0001848000000000, 0.0012764800000000 ] - [ 0.0106206300000000, -0.0000058700000000, 0.0010151700000000 ] - [ 0.0019840200000000, -0.0049770500000000, 0.0008972900000000 ] - [ 0.0019941200000000, 0.0049894700000000, 0.0011247900000000 ] - [ 0.0000007800000000, -0.0000000300000000, -0.0004611900000000 ] - [ 0.0000003800000000, -0.0000000400000000, -0.0004612000000000 ] - [ 0.0000002200000000, 0.0000003100000000, -0.0004610700000000 ] - [ 0.0000002300000000, -0.0000003500000000, -0.0004613000000000 ] - [ 0.0000329200000000, -0.0000000300000000, 0.0014859800000000 ] - [ 0.0000278600000000, 0.0000003400000000, 0.0014859500000000 ] - [ -0.0000480500000000, -0.0000443800000000, 0.0015300200000000 ] - [ -0.0000476200000000, 0.0000430500000000, 0.0014426500000000 ] - [ 0.0000004100000000, -0.0000002000000000, 0.0013095400000000 ] - [ 0.0000017600000000, -0.0000001700000000, 0.0013095800000000 ] - [ 0.0000001300000000, -0.0000011100000000, 0.0013091900000000 ] - [ 0.0000001200000000, 0.0000007600000000, 0.0013100500000000 ] - [ 0.0000009100000000, -0.0000012000000000, -0.0004956100000000 ] - [ 0.0000009000000000, 0.0000012500000000, -0.0004965800000000 ] - [ -0.0000012400000000, 0.0000000500000000, -0.0004959600000000 ] - [ -0.0000035700000000, 0.0000000600000000, -0.0004959900000000 ] - [ 0.0000328500000000, -0.0000002400000000, -0.0001125500000000 ] - [ 0.0000278700000000, -0.0000004500000000, -0.0001120300000000 ] - [ -0.0000474300000000, -0.0000439400000000, -0.0002755000000000 ] - [ -0.0000476300000000, 0.0000431700000000, 0.0000506300000000 ] - [ 0.0006123300000000, -0.0003561400000000, -0.0006651400000000 ] - [ 0.0006065000000000, 0.0003508300000000, -0.0018742400000000 ] - [ -0.0000028100000000, -0.0000001700000000, -0.0012770800000000 ] - [ -0.0000155200000000, -0.0000000800000000, -0.0012772800000000 ] - [ 0.0000022200000000, -0.0000001100000000, -0.0000414900000000 ] - [ -0.0000015000000000, -0.0000001100000000, -0.0000414600000000 ] - [ 0.0000001900000000, 0.0000010600000000, -0.0000414400000000 ] - [ 0.0000001600000000, -0.0000012900000000, -0.0000413000000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000003800000000, -0.0003923900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003916200000000 ] - [ -0.0000003300000000, 0.0000001900000000, -0.0003923900000000 ] - [ 0.0000003300000000, 0.0000001900000000, -0.0003923900000000 ] - [ 0.0000000000000000, 0.0090066600000000, 0.0088922800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028752700000000 ] - [ 0.0078000000000000, -0.0045033300000000, 0.0088922800000000 ] - [ -0.0078000000000000, -0.0045033300000000, 0.0088922800000000 ] - [ 0.0000000000000000, 0.0000542800000000, 0.0001213000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002204700000000 ] - [ 0.0000470100000000, -0.0000271400000000, 0.0001213000000000 ] - [ -0.0000470100000000, -0.0000271400000000, 0.0001213000000000 ] - [ 0.0000000000000000, -0.0000118300000000, 0.0003445200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003545700000000 ] - [ -0.0000102500000000, 0.0000059200000000, 0.0003445200000000 ] - [ 0.0000102500000000, 0.0000059200000000, 0.0003445200000000 ] - [ -0.0000028400000000, 0.0000016400000000, -0.0003040200000000 ] - [ 0.0000028400000000, 0.0000016400000000, -0.0003040200000000 ] - [ 0.0000000000000000, -0.0000032800000000, -0.0003040200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003052800000000 ] - [ 0.0000000000000000, 0.0000708100000000, -0.0009120100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008878900000000 ] - [ 0.0000613300000000, -0.0000354100000000, -0.0009120100000000 ] - [ -0.0000613300000000, -0.0000354100000000, -0.0009120100000000 ] - [ 0.0000002500000000, -0.0000001400000000, -0.0004626800000000 ] - [ -0.0000002500000000, -0.0000001400000000, -0.0004626800000000 ] - [ 0.0000000000000000, 0.0000002900000000, -0.0004626800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004622400000000 ] - [ -0.0000131200000000, 0.0000075700000000, -0.0004941500000000 ] - [ 0.0000131200000000, 0.0000075700000000, -0.0004941500000000 ] - [ 0.0000000000000000, -0.0000151500000000, -0.0004941500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004198700000000 ] - [ -0.0034859400000000, 0.0020126100000000, 0.0026293200000000 ] - [ 0.0034859400000000, 0.0020126100000000, 0.0026293200000000 ] - [ 0.0000000000000000, -0.0040252200000000, 0.0026293200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020565300000000 ] - [ 0.0000000100000000, 0.0000000000000000, -0.0001866600000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0001866600000000 ] - [ 0.0000000000000000, 0.0000000100000000, -0.0001866600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001875600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007486800000000 ] - [ 0.0000000000000000, 0.0000001000000000, 0.0007482100000000 ] - [ -0.0000000800000000, -0.0000000500000000, 0.0007482100000000 ] - [ 0.0000000800000000, -0.0000000500000000, 0.0007482100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003424100000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0003412700000000 ] - [ 0.0000000400000000, 0.0000000200000000, 0.0003412700000000 ] - [ -0.0000000400000000, 0.0000000200000000, 0.0003412700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004010300000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0004053800000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0004053800000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0004053800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0357164000000000 ] - [ 0.0000000000000000, 0.0001346400000000, -0.0007276700000000 ] - [ -0.0001166000000000, -0.0000673200000000, -0.0007276700000000 ] - [ 0.0001166000000000, -0.0000673200000000, -0.0007276700000000 ] - [ 0.0000000000000000, 0.0000001600000000, -0.0003704000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003701200000000 ] - [ 0.0000001400000000, -0.0000000800000000, -0.0003704000000000 ] - [ -0.0000001400000000, -0.0000000800000000, -0.0003704000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014859200000000 ] - [ 0.0000000000000000, 0.0001912400000000, 0.0016183300000000 ] - [ -0.0001656200000000, -0.0000956200000000, 0.0016183300000000 ] - [ 0.0001656200000000, -0.0000956200000000, 0.0016183300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013962400000000 ] - [ 0.0000000000000000, -0.0000049900000000, 0.0014006800000000 ] - [ 0.0000043200000000, 0.0000025000000000, 0.0014006800000000 ] - [ -0.0000043200000000, 0.0000025000000000, 0.0014006800000000 ] - [ 0.0000004200000000, -0.0000002400000000, -0.0004098200000000 ] - [ -0.0000004200000000, -0.0000002400000000, -0.0004098200000000 ] - [ 0.0000000000000000, 0.0000004900000000, -0.0004098200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003818900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001110000000000 ] - [ 0.0000000000000000, -0.0000499900000000, 0.0000188000000000 ] - [ 0.0000432900000000, 0.0000250000000000, 0.0000188000000000 ] - [ -0.0000432900000000, 0.0000250000000000, 0.0000188000000000 ] - [ 0.0006143700000000, -0.0003547100000000, -0.0005755200000000 ] - [ -0.0006143700000000, -0.0003547100000000, -0.0005755200000000 ] - [ 0.0000000000000000, 0.0007094100000000, -0.0005755200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013463000000000 ] - [ 0.0000000000000000, -0.0000006800000000, 0.0000492500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000509300000000 ] - [ -0.0000005900000000, 0.0000003400000000, 0.0000492500000000 ] - [ 0.0000005900000000, 0.0000003400000000, 0.0000492500000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000004500000000, -0.0000326700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000334000000000 ] - [ 0.0000003900000000, -0.0000002200000000, -0.0000326700000000 ] - [ -0.0000003900000000, -0.0000002200000000, -0.0000326700000000 ] - [ 0.0000000000000000, -0.0092847500000000, -0.0090522700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029498000000000 ] - [ -0.0080408300000000, 0.0046423800000000, -0.0090522700000000 ] - [ 0.0080408300000000, 0.0046423800000000, -0.0090522700000000 ] - [ 0.0000000000000000, -0.0000527900000000, 0.0001965300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005297600000000 ] - [ -0.0000457100000000, 0.0000263900000000, 0.0001965300000000 ] - [ 0.0000457100000000, 0.0000263900000000, 0.0001965300000000 ] - [ 0.0000000000000000, 0.0000115200000000, 0.0007082300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006984300000000 ] - [ 0.0000099800000000, -0.0000057600000000, 0.0007082300000000 ] - [ -0.0000099800000000, -0.0000057600000000, 0.0007082300000000 ] - [ 0.0000028900000000, -0.0000016700000000, 0.0000551100000000 ] - [ -0.0000028900000000, -0.0000016700000000, 0.0000551100000000 ] - [ 0.0000000000000000, 0.0000033400000000, 0.0000551100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000564800000000 ] - [ 0.0000000000000000, -0.0000713300000000, -0.0005325800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005567100000000 ] - [ -0.0000617700000000, 0.0000356600000000, -0.0005325800000000 ] - [ 0.0000617700000000, 0.0000356600000000, -0.0005325800000000 ] - [ -0.0000002200000000, 0.0000001300000000, -0.0001026100000000 ] - [ 0.0000002200000000, 0.0000001300000000, -0.0001026100000000 ] - [ 0.0000000000000000, -0.0000002500000000, -0.0001026100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001029900000000 ] - [ 0.0000131600000000, -0.0000076000000000, -0.0006348400000000 ] - [ -0.0000131600000000, -0.0000076000000000, -0.0006348400000000 ] - [ 0.0000000000000000, 0.0000152000000000, -0.0006348400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007096800000000 ] - [ 0.0035376400000000, -0.0020424600000000, -0.0049149000000000 ] - [ -0.0035376400000000, -0.0020424600000000, -0.0049149000000000 ] - [ 0.0000000000000000, 0.0040849200000000, -0.0049149000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001648000000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0003660500000000 ] - [ 0.0000000100000000, 0.0000000000000000, -0.0003660500000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0003660500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003651500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005662800000000 ] - [ 0.0000000000000000, -0.0000000900000000, 0.0005667000000000 ] - [ 0.0000000800000000, 0.0000000400000000, 0.0005667000000000 ] - [ -0.0000000800000000, 0.0000000400000000, 0.0005667000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001588900000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0001600000000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0001600000000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0001600000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002252400000000 ] - [ 0.0000000000000000, 0.0000000900000000, 0.0002208800000000 ] - [ -0.0000000800000000, -0.0000000400000000, 0.0002208800000000 ] - [ 0.0000000800000000, -0.0000000400000000, 0.0002208800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0381951500000000 ] - [ 0.0000000000000000, -0.0001277800000000, 0.0027378000000000 ] - [ 0.0001106600000000, 0.0000638900000000, 0.0027378000000000 ] - [ -0.0001106600000000, 0.0000638900000000, 0.0027378000000000 ] - [ 0.0000000000000000, -0.0000001400000000, -0.0005494400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005496700000000 ] - [ -0.0000001200000000, 0.0000000700000000, -0.0005494400000000 ] - [ 0.0000001200000000, 0.0000000700000000, -0.0005494400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014814000000000 ] - [ 0.0000000000000000, -0.0001862300000000, 0.0013528900000000 ] - [ 0.0001612800000000, 0.0000931200000000, 0.0013528900000000 ] - [ -0.0001612800000000, 0.0000931200000000, 0.0013528900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012211800000000 ] - [ 0.0000000000000000, 0.0000048700000000, 0.0012168300000000 ] - [ -0.0000042200000000, -0.0000024300000000, 0.0012168300000000 ] - [ 0.0000042200000000, -0.0000024300000000, 0.0012168300000000 ] - [ -0.0000004000000000, 0.0000002300000000, -0.0005798800000000 ] - [ 0.0000004000000000, 0.0000002300000000, -0.0005798800000000 ] - [ 0.0000000000000000, -0.0000004700000000, -0.0005798800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006072000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001164300000000 ] - [ 0.0000000000000000, 0.0000500200000000, -0.0002468300000000 ] - [ -0.0000433200000000, -0.0000250100000000, -0.0002468300000000 ] - [ 0.0000433200000000, -0.0000250100000000, -0.0002468300000000 ] - [ -0.0005946700000000, 0.0003433300000000, -0.0019533800000000 ] - [ 0.0005946700000000, 0.0003433300000000, -0.0019533800000000 ] - [ 0.0000000000000000, -0.0006866600000000, -0.0019533800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012076500000000 ] - [ 0.0000000000000000, 0.0000006800000000, -0.0001290500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001307300000000 ] - [ 0.0000005900000000, -0.0000003400000000, -0.0001290500000000 ] - [ -0.0000005900000000, -0.0000003400000000, -0.0001290500000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000057400000000, -0.0000002400000000, -0.0002108800000000 ] - [ 0.0000061000000000, 0.0000000100000000, -0.0002106700000000 ] - [ -0.0000213000000000, -0.0000155900000000, -0.0001616600000000 ] - [ -0.0000208800000000, 0.0000158400000000, -0.0002602000000000 ] - [ 0.0000004600000000, -0.0000000100000000, -0.0000338600000000 ] - [ 0.0000013500000000, -0.0000000200000000, -0.0000345600000000 ] - [ 0.0000003400000000, -0.0000006300000000, -0.0000342500000000 ] - [ 0.0000003700000000, 0.0000005200000000, -0.0000341600000000 ] - [ -0.0000026600000000, -0.0000001000000000, 0.0001575800000000 ] - [ 0.0000013300000000, -0.0000000300000000, 0.0001576000000000 ] - [ -0.0000000100000000, -0.0000007600000000, 0.0001568000000000 ] - [ 0.0000001100000000, 0.0000007500000000, 0.0001583100000000 ] - [ -0.0000286400000000, 0.0000000200000000, 0.0005269600000000 ] - [ -0.0000822700000000, -0.0000008000000000, 0.0005267100000000 ] - [ 0.0000195800000000, 0.0000592400000000, 0.0005381200000000 ] - [ 0.0000180800000000, -0.0000574200000000, 0.0005167500000000 ] - [ -0.0000003200000000, -0.0000008600000000, -0.0001230500000000 ] - [ -0.0000004300000000, 0.0000010100000000, -0.0001221000000000 ] - [ -0.0000007600000000, -0.0000000400000000, -0.0001226100000000 ] - [ 0.0000012000000000, -0.0000001300000000, -0.0001225900000000 ] - [ -0.0000000100000000, 0.0000000400000000, -0.0007210000000000 ] - [ -0.0000006300000000, 0.0000000200000000, -0.0007210300000000 ] - [ -0.0000004800000000, 0.0000001200000000, -0.0007209800000000 ] - [ -0.0000005400000000, -0.0000000300000000, -0.0007210700000000 ] - [ 0.0059769700000000, 0.0033427500000000, 0.0060230400000000 ] - [ 0.0057167100000000, -0.0031440900000000, -0.0063085500000000 ] - [ -0.0009373200000000, 0.0000061700000000, -0.0002856900000000 ] - [ 0.0002301600000000, 0.0000133300000000, -0.0002888600000000 ] - [ -0.0000002400000000, 0.0000005700000000, -0.0005665700000000 ] - [ -0.0000002800000000, 0.0000000900000000, -0.0005670000000000 ] - [ -0.0000004500000000, 0.0000002900000000, -0.0005668500000000 ] - [ -0.0000007700000000, 0.0000002500000000, -0.0005667800000000 ] - [ -0.0000004400000000, 0.0000003800000000, -0.0011133700000000 ] - [ -0.0000004400000000, -0.0000000700000000, -0.0011124600000000 ] - [ -0.0000003600000000, 0.0000001900000000, -0.0011128400000000 ] - [ -0.0000007700000000, 0.0000002000000000, -0.0011128700000000 ] - [ -0.0000157500000000, -0.0000052400000000, -0.0002905200000000 ] - [ -0.0000157700000000, 0.0000054900000000, -0.0002658100000000 ] - [ 0.0001256800000000, -0.0000000300000000, -0.0002784600000000 ] - [ -0.0000064600000000, 0.0000001300000000, -0.0002778600000000 ] - [ -0.0020342900000000, -0.0000057100000000, 0.0006521200000000 ] - [ -0.0007419600000000, -0.0000049000000000, 0.0006564800000000 ] - [ 0.0018048400000000, -0.0022292200000000, 0.0041746300000000 ] - [ 0.0018096800000000, 0.0022066600000000, -0.0028319400000000 ] - [ -0.0000440400000000, -0.0000001900000000, 0.0002515900000000 ] - [ 0.0000285100000000, -0.0000002500000000, 0.0002515800000000 ] - [ 0.0000086900000000, -0.0000305000000000, 0.0002198000000000 ] - [ 0.0000085100000000, 0.0000303100000000, 0.0002833900000000 ] - [ -0.0000003900000000, 0.0000000700000000, 0.0003143600000000 ] - [ 0.0000003100000000, 0.0000000800000000, 0.0003143900000000 ] - [ -0.0000003000000000, 0.0000000500000000, 0.0003150700000000 ] - [ -0.0000002600000000, 0.0000001400000000, 0.0003136300000000 ] - [ 0.0000007000000000, -0.0000001900000000, 0.0010111800000000 ] - [ 0.0000002600000000, -0.0000001700000000, 0.0010111900000000 ] - [ 0.0000001300000000, 0.0000002200000000, 0.0010113700000000 ] - [ 0.0000001000000000, -0.0000005400000000, 0.0010111700000000 ] - [ -0.0273887900000000, -0.0001851600000000, -0.0007219000000000 ] - [ 0.0106565600000000, -0.0000057100000000, -0.0004649100000000 ] - [ 0.0019651100000000, -0.0050085200000000, -0.0003390400000000 ] - [ 0.0019750500000000, 0.0050214300000000, -0.0005829200000000 ] - [ 0.0000000800000000, -0.0000001600000000, 0.0014858000000000 ] - [ -0.0000018000000000, -0.0000001700000000, 0.0014857700000000 ] - [ 0.0000023400000000, -0.0000014800000000, 0.0014882400000000 ] - [ 0.0000023100000000, 0.0000011600000000, 0.0014831500000000 ] - [ -0.0000142400000000, -0.0000004800000000, 0.0013098100000000 ] - [ -0.0000214400000000, -0.0000006700000000, 0.0013101200000000 ] - [ 0.0004679200000000, -0.0002804200000000, 0.0006805400000000 ] - [ 0.0004628000000000, 0.0002733700000000, 0.0019246600000000 ] - [ -0.0000160500000000, -0.0000051300000000, -0.0004954000000000 ] - [ -0.0000163800000000, 0.0000052800000000, -0.0004971700000000 ] - [ 0.0001244900000000, 0.0000001100000000, -0.0004971500000000 ] - [ -0.0000071300000000, 0.0000000400000000, -0.0004966300000000 ] - [ 0.0000004200000000, -0.0000001600000000, -0.0001128000000000 ] - [ -0.0000000200000000, -0.0000001900000000, -0.0001127000000000 ] - [ 0.0000007500000000, -0.0000004200000000, -0.0001128800000000 ] - [ 0.0000007600000000, 0.0000000800000000, -0.0001127000000000 ] - [ -0.0000009400000000, -0.0000006200000000, -0.0012762700000000 ] - [ -0.0000009100000000, 0.0000008900000000, -0.0012772800000000 ] - [ -0.0000011100000000, 0.0000001100000000, -0.0012768400000000 ] - [ 0.0000003600000000, 0.0000000900000000, -0.0012767900000000 ] - [ 0.0000026400000000, -0.0000001100000000, -0.0000419500000000 ] - [ 0.0000000400000000, -0.0000001100000000, -0.0000418900000000 ] - [ 0.0000002400000000, -0.0000000100000000, -0.0000407600000000 ] - [ 0.0000002200000000, -0.0000002200000000, -0.0000428400000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0002665700000000 ] - [ 0.0000000000000000, -0.0001839400000000, -0.0004344700000000 ] - [ 0.0001593000000000, 0.0000919700000000, -0.0004344700000000 ] - [ -0.0001593000000000, 0.0000919700000000, -0.0004344700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002118300000000 ] - [ 0.0000000000000000, -0.0000003000000000, -0.0002105600000000 ] - [ 0.0000002600000000, 0.0000001500000000, -0.0002105600000000 ] - [ -0.0000002600000000, 0.0000001500000000, -0.0002105600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000271200000000 ] - [ 0.0000000000000000, 0.0000053300000000, -0.0000167900000000 ] - [ -0.0000046200000000, -0.0000026600000000, -0.0000167900000000 ] - [ 0.0000046200000000, -0.0000026600000000, -0.0000167900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003438200000000 ] - [ 0.0000000000000000, 0.0002883800000000, 0.0004589700000000 ] - [ -0.0002497400000000, -0.0001441900000000, 0.0004589700000000 ] - [ 0.0002497400000000, -0.0001441900000000, 0.0004589700000000 ] - [ -0.0000037100000000, -0.0000021400000000, -0.0003012700000000 ] - [ 0.0000037100000000, -0.0000021400000000, -0.0003012700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002971400000000 ] - [ 0.0000000000000000, 0.0000042900000000, -0.0003012700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008995100000000 ] - [ 0.0000000000000000, -0.0000001900000000, -0.0008990300000000 ] - [ 0.0000001600000000, 0.0000000900000000, -0.0008990300000000 ] - [ -0.0000001600000000, 0.0000000900000000, -0.0008990300000000 ] - [ 0.0080533900000000, 0.0046496300000000, 0.0087437300000000 ] - [ -0.0080533900000000, 0.0046496300000000, 0.0087437300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026244400000000 ] - [ 0.0000000000000000, -0.0092992500000000, 0.0087437300000000 ] - [ 0.0000003000000000, 0.0000001700000000, -0.0004769800000000 ] - [ -0.0000003000000000, 0.0000001700000000, -0.0004769800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004776700000000 ] - [ 0.0000000000000000, -0.0000003500000000, -0.0004769800000000 ] - [ -0.0000002700000000, -0.0000001500000000, -0.0010223700000000 ] - [ 0.0000002700000000, -0.0000001500000000, -0.0010223700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010229600000000 ] - [ 0.0000000000000000, 0.0000003100000000, -0.0010223700000000 ] - [ -0.0000010300000000, -0.0000005900000000, -0.0002758100000000 ] - [ 0.0000010300000000, -0.0000005900000000, -0.0002758100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001101200000000 ] - [ 0.0000000000000000, 0.0000011900000000, -0.0002758100000000 ] - [ 0.0000000000000000, 0.0040491800000000, 0.0044606800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003100300000000 ] - [ 0.0035066900000000, -0.0020245900000000, 0.0044606800000000 ] - [ -0.0035066900000000, -0.0020245900000000, 0.0044606800000000 ] - [ 0.0000000000000000, -0.0000746500000000, 0.0003522700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002931900000000 ] - [ -0.0000646500000000, 0.0000373300000000, 0.0003522700000000 ] - [ 0.0000646500000000, 0.0000373300000000, 0.0003522700000000 ] - [ 0.0000000000000000, 0.0000016200000000, 0.0004021000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003996500000000 ] - [ 0.0000014100000000, -0.0000008100000000, 0.0004021000000000 ] - [ -0.0000014100000000, -0.0000008100000000, 0.0004021000000000 ] - [ 0.0000000000000000, 0.0000002300000000, 0.0010982100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010983600000000 ] - [ 0.0000002000000000, -0.0000001200000000, 0.0010982100000000 ] - [ -0.0000002000000000, -0.0000001200000000, 0.0010982100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0375035300000000 ] - [ 0.0000000000000000, -0.0001371700000000, -0.0022180700000000 ] - [ 0.0001187900000000, 0.0000685800000000, -0.0022180700000000 ] - [ -0.0001187900000000, 0.0000685800000000, -0.0022180700000000 ] - [ 0.0000000000000000, 0.0000010200000000, 0.0015753600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015655300000000 ] - [ 0.0000008800000000, -0.0000005100000000, 0.0015753600000000 ] - [ -0.0000008800000000, -0.0000005100000000, 0.0015753600000000 ] - [ 0.0000000000000000, -0.0005468000000000, 0.0019587600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012410900000000 ] - [ -0.0004735400000000, 0.0002734000000000, 0.0019587600000000 ] - [ 0.0004735400000000, 0.0002734000000000, 0.0019587600000000 ] - [ 0.0000125900000000, 0.0000072700000000, -0.0004919200000000 ] - [ -0.0000125900000000, 0.0000072700000000, -0.0004919200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001109300000000 ] - [ 0.0000000000000000, -0.0000145400000000, -0.0004919200000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0000254800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000265000000000 ] - [ -0.0000000700000000, 0.0000000400000000, -0.0000254800000000 ] - [ 0.0000000700000000, 0.0000000400000000, -0.0000254800000000 ] - [ -0.0000044400000000, -0.0000025600000000, -0.0011867700000000 ] - [ 0.0000044400000000, -0.0000025600000000, -0.0011867700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011874600000000 ] - [ 0.0000000000000000, 0.0000051300000000, -0.0011867700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000546400000000 ] - [ 0.0000000000000000, -0.0000002500000000, 0.0000462200000000 ] - [ 0.0000002100000000, 0.0000001200000000, 0.0000462200000000 ] - [ -0.0000002100000000, 0.0000001200000000, 0.0000462200000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0001538600000000 ] - [ 0.0000000000000000, 0.0001827200000000, 0.0000124300000000 ] - [ -0.0001582400000000, -0.0000913600000000, 0.0000124300000000 ] - [ 0.0001582400000000, -0.0000913600000000, 0.0000124300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001466900000000 ] - [ 0.0000000000000000, 0.0000003100000000, 0.0001440500000000 ] - [ -0.0000002700000000, -0.0000001500000000, 0.0001440500000000 ] - [ 0.0000002700000000, -0.0000001500000000, 0.0001440500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003452700000000 ] - [ 0.0000000000000000, -0.0000054700000000, 0.0003342100000000 ] - [ 0.0000047300000000, 0.0000027300000000, 0.0003342100000000 ] - [ -0.0000047300000000, 0.0000027300000000, 0.0003342100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007112800000000 ] - [ 0.0000000000000000, -0.0002959000000000, 0.0005941200000000 ] - [ 0.0002562600000000, 0.0001479500000000, 0.0005941200000000 ] - [ -0.0002562600000000, 0.0001479500000000, 0.0005941200000000 ] - [ 0.0000037200000000, 0.0000021500000000, 0.0000556400000000 ] - [ -0.0000037200000000, 0.0000021500000000, 0.0000556400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000515200000000 ] - [ 0.0000000000000000, -0.0000042900000000, 0.0000556400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005419900000000 ] - [ 0.0000000000000000, 0.0000001800000000, -0.0005422700000000 ] - [ -0.0000001500000000, -0.0000000900000000, -0.0005422700000000 ] - [ 0.0000001500000000, -0.0000000900000000, -0.0005422700000000 ] - [ -0.0078122500000000, -0.0045104000000000, -0.0092141200000000 ] - [ 0.0078122500000000, -0.0045104000000000, -0.0092141200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031805800000000 ] - [ 0.0000000000000000, 0.0090208100000000, -0.0092141200000000 ] - [ -0.0000002900000000, -0.0000001700000000, -0.0006532900000000 ] - [ 0.0000002900000000, -0.0000001700000000, -0.0006532900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006525800000000 ] - [ 0.0000000000000000, 0.0000003400000000, -0.0006532900000000 ] - [ 0.0000002800000000, 0.0000001600000000, -0.0012006300000000 ] - [ -0.0000002800000000, 0.0000001600000000, -0.0012006300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012000400000000 ] - [ 0.0000000000000000, -0.0000003200000000, -0.0012006300000000 ] - [ 0.0000008700000000, 0.0000005000000000, -0.0002789900000000 ] - [ -0.0000008700000000, 0.0000005000000000, -0.0002789900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006635100000000 ] - [ 0.0000000000000000, -0.0000010100000000, -0.0002789900000000 ] - [ 0.0000000000000000, -0.0039900600000000, -0.0030834400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016226900000000 ] - [ -0.0034554900000000, 0.0019950300000000, -0.0030834400000000 ] - [ 0.0034554900000000, 0.0019950300000000, -0.0030834400000000 ] - [ 0.0000000000000000, 0.0000741800000000, 0.0001471800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002057000000000 ] - [ 0.0000642400000000, -0.0000370900000000, 0.0001471800000000 ] - [ -0.0000642400000000, -0.0000370900000000, 0.0001471800000000 ] - [ 0.0000000000000000, -0.0000016200000000, 0.0002221500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002245400000000 ] - [ -0.0000014000000000, 0.0000008100000000, 0.0002221500000000 ] - [ 0.0000014000000000, 0.0000008100000000, 0.0002221500000000 ] - [ 0.0000000000000000, -0.0000002300000000, 0.0009198400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009196500000000 ] - [ -0.0000002000000000, 0.0000001200000000, 0.0009198400000000 ] - [ 0.0000002000000000, 0.0000001200000000, 0.0009198400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0361776300000000 ] - [ 0.0000000000000000, 0.0001441500000000, 0.0013074200000000 ] - [ -0.0001248400000000, -0.0000720700000000, 0.0013074200000000 ] - [ 0.0001248400000000, -0.0000720700000000, 0.0013074200000000 ] - [ 0.0000000000000000, -0.0000010500000000, 0.0013924100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014025400000000 ] - [ -0.0000009100000000, 0.0000005200000000, 0.0013924100000000 ] - [ 0.0000009100000000, 0.0000005200000000, 0.0013924100000000 ] - [ 0.0000000000000000, 0.0005644900000000, 0.0006366800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013784300000000 ] - [ 0.0004888600000000, -0.0002822500000000, 0.0006366800000000 ] - [ -0.0004888600000000, -0.0002822500000000, 0.0006366800000000 ] - [ -0.0000130000000000, -0.0000075100000000, -0.0004972300000000 ] - [ 0.0000130000000000, -0.0000075100000000, -0.0004972300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008881600000000 ] - [ 0.0000000000000000, 0.0000150100000000, -0.0004972300000000 ] - [ 0.0000000000000000, 0.0000000900000000, -0.0002047400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002037000000000 ] - [ 0.0000000800000000, -0.0000000400000000, -0.0002047400000000 ] - [ -0.0000000800000000, -0.0000000400000000, -0.0002047400000000 ] - [ 0.0000045400000000, 0.0000026200000000, -0.0013648000000000 ] - [ -0.0000045400000000, 0.0000026200000000, -0.0013648000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013641000000000 ] - [ 0.0000000000000000, -0.0000052500000000, -0.0013648000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001356000000000 ] - [ 0.0000000000000000, 0.0000002500000000, -0.0001272400000000 ] - [ -0.0000002100000000, -0.0000001200000000, -0.0001272400000000 ] - [ 0.0000002100000000, -0.0000001200000000, -0.0001272400000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001700000000, -0.0000000700000000, -0.0002114900000000 ] - [ -0.0000000100000000, -0.0000000800000000, -0.0002115000000000 ] - [ -0.0000001600000000, -0.0000000200000000, -0.0002113200000000 ] - [ -0.0000001200000000, 0.0000000300000000, -0.0002116900000000 ] - [ 0.0001417700000000, 0.0000000700000000, -0.0000345500000000 ] - [ -0.0001114300000000, -0.0000000900000000, -0.0000345100000000 ] - [ -0.0000117600000000, 0.0000888000000000, 0.0000595300000000 ] - [ -0.0000120100000000, -0.0000886500000000, -0.0001284800000000 ] - [ 0.0002274400000000, 0.0000130700000000, 0.0001654000000000 ] - [ -0.0009415800000000, 0.0000061400000000, 0.0001623100000000 ] - [ 0.0057032300000000, -0.0031380200000000, 0.0061631900000000 ] - [ 0.0059632800000000, 0.0033362100000000, -0.0061242100000000 ] - [ -0.0000236700000000, 0.0000003200000000, 0.0005281400000000 ] - [ -0.0002397700000000, -0.0000001500000000, 0.0005271700000000 ] - [ -0.0000046500000000, -0.0000107200000000, 0.0005260600000000 ] - [ -0.0000056500000000, 0.0000106900000000, 0.0005296100000000 ] - [ 0.0000002200000000, 0.0000000100000000, -0.0001228500000000 ] - [ 0.0000001700000000, 0.0000001500000000, -0.0001235400000000 ] - [ 0.0000001200000000, -0.0000000500000000, -0.0001232300000000 ] - [ -0.0000002600000000, -0.0000001200000000, -0.0001232200000000 ] - [ -0.0000030800000000, 0.0000000400000000, -0.0007216600000000 ] - [ 0.0000037800000000, 0.0000000200000000, -0.0007216900000000 ] - [ -0.0000001600000000, -0.0000016100000000, -0.0007224200000000 ] - [ -0.0000002200000000, 0.0000017100000000, -0.0007209500000000 ] - [ 0.0000003300000000, -0.0000011100000000, -0.0002797200000000 ] - [ 0.0000004100000000, 0.0000012500000000, -0.0002822600000000 ] - [ -0.0000016900000000, 0.0000000100000000, -0.0002809800000000 ] - [ 0.0000001600000000, 0.0000000600000000, -0.0002809900000000 ] - [ -0.0000001500000000, 0.0000001400000000, -0.0005647800000000 ] - [ -0.0000001900000000, 0.0000005200000000, -0.0005676800000000 ] - [ -0.0000004500000000, 0.0000003000000000, -0.0005662600000000 ] - [ 0.0000005800000000, 0.0000002600000000, -0.0005662000000000 ] - [ 0.0000056600000000, 0.0000363300000000, -0.0011255200000000 ] - [ 0.0000056500000000, -0.0000360500000000, -0.0010990600000000 ] - [ 0.0000683100000000, 0.0000002200000000, -0.0011123400000000 ] - [ -0.0000886800000000, 0.0000002300000000, -0.0011123000000000 ] - [ -0.0000003300000000, 0.0000005400000000, -0.0002775400000000 ] - [ -0.0000003100000000, -0.0000001100000000, -0.0002774400000000 ] - [ 0.0000002600000000, 0.0000001800000000, -0.0002774100000000 ] - [ -0.0000001000000000, 0.0000002100000000, -0.0002775200000000 ] - [ 0.0000021900000000, 0.0000001000000000, 0.0006581300000000 ] - [ -0.0000008000000000, 0.0000001000000000, 0.0006581800000000 ] - [ -0.0000002500000000, 0.0000004000000000, 0.0006581000000000 ] - [ -0.0000002800000000, -0.0000002300000000, 0.0006581600000000 ] - [ 0.0000006200000000, -0.0000001700000000, 0.0002518500000000 ] - [ 0.0000003000000000, -0.0000001700000000, 0.0002517600000000 ] - [ 0.0000007700000000, 0.0000000900000000, 0.0002518500000000 ] - [ 0.0000007800000000, -0.0000004300000000, 0.0002517900000000 ] - [ 0.0000002300000000, 0.0000000700000000, 0.0003146300000000 ] - [ -0.0000002800000000, 0.0000000800000000, 0.0003146600000000 ] - [ 0.0000003100000000, 0.0000004600000000, 0.0003146100000000 ] - [ 0.0000003300000000, -0.0000002700000000, 0.0003146200000000 ] - [ 0.0000328800000000, -0.0000002600000000, 0.0010114500000000 ] - [ 0.0000279300000000, -0.0000004300000000, 0.0010118800000000 ] - [ -0.0000476900000000, -0.0000440900000000, 0.0008482800000000 ] - [ -0.0000479300000000, 0.0000433200000000, 0.0011749700000000 ] - [ 0.0000000500000000, -0.0000000300000000, -0.0004609900000000 ] - [ -0.0000017000000000, -0.0000000400000000, -0.0004610300000000 ] - [ 0.0000024700000000, -0.0000014100000000, -0.0004601300000000 ] - [ 0.0000024700000000, 0.0000013600000000, -0.0004618200000000 ] - [ -0.0273343600000000, -0.0001849000000000, 0.0017448500000000 ] - [ 0.0106195900000000, -0.0000058700000000, 0.0014897400000000 ] - [ 0.0019839600000000, -0.0049765200000000, 0.0013720100000000 ] - [ 0.0019940600000000, 0.0049889200000000, 0.0015989200000000 ] - [ 0.0000319100000000, -0.0000000500000000, 0.0013094100000000 ] - [ 0.0000266100000000, 0.0000003400000000, 0.0013094400000000 ] - [ -0.0000496100000000, -0.0000445400000000, 0.0013528800000000 ] - [ -0.0000491800000000, 0.0000432100000000, 0.0012668900000000 ] - [ 0.0006133800000000, -0.0003559100000000, 0.0001137600000000 ] - [ 0.0006074700000000, 0.0003504100000000, -0.0010922300000000 ] - [ -0.0000012600000000, -0.0000002300000000, -0.0004964700000000 ] - [ -0.0000154700000000, -0.0000001100000000, -0.0004967500000000 ] - [ 0.0000004900000000, -0.0000001600000000, -0.0001125000000000 ] - [ 0.0000017300000000, -0.0000001900000000, -0.0001123900000000 ] - [ 0.0000000300000000, -0.0000011800000000, -0.0001081600000000 ] - [ 0.0000000400000000, 0.0000008400000000, -0.0001167800000000 ] - [ 0.0018202600000000, -0.0022209700000000, -0.0047994500000000 ] - [ 0.0018249700000000, 0.0021987800000000, 0.0022201800000000 ] - [ -0.0020049300000000, -0.0000057000000000, -0.0012706300000000 ] - [ -0.0007188900000000, -0.0000048400000000, -0.0012747500000000 ] - [ 0.0000004700000000, -0.0000000900000000, -0.0000413200000000 ] - [ -0.0000000100000000, -0.0000001100000000, -0.0000413000000000 ] - [ 0.0000008000000000, -0.0000003000000000, -0.0000411800000000 ] - [ 0.0000007700000000, 0.0000000700000000, -0.0000412000000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000001800000000, -0.0003916500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003916200000000 ] - [ 0.0000001600000000, -0.0000000900000000, -0.0003916500000000 ] - [ -0.0000001600000000, -0.0000000900000000, -0.0003916500000000 ] - [ 0.0000000000000000, 0.0000708500000000, -0.0002239500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002000000000000 ] - [ 0.0000613600000000, -0.0000354200000000, -0.0002239500000000 ] - [ -0.0000613600000000, -0.0000354200000000, -0.0002239500000000 ] - [ 0.0000000000000000, 0.0090052500000000, 0.0090826900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030658300000000 ] - [ 0.0077987700000000, -0.0045026200000000, 0.0090826900000000 ] - [ -0.0077987700000000, -0.0045026200000000, 0.0090826900000000 ] - [ 0.0000000000000000, 0.0000540600000000, 0.0004916900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001518400000000 ] - [ 0.0000468200000000, -0.0000270300000000, 0.0004916900000000 ] - [ -0.0000468200000000, -0.0000270300000000, 0.0004916900000000 ] - [ 0.0000005200000000, -0.0000003000000000, -0.0003035700000000 ] - [ -0.0000005200000000, -0.0000003000000000, -0.0003035700000000 ] - [ 0.0000000000000000, 0.0000006000000000, -0.0003035700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003026400000000 ] - [ 0.0000000000000000, 0.0000021900000000, -0.0009021400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009045400000000 ] - [ 0.0000019000000000, -0.0000010900000000, -0.0009021400000000 ] - [ -0.0000019000000000, -0.0000010900000000, -0.0009021400000000 ] - [ -0.0000051000000000, 0.0000029500000000, -0.0004610300000000 ] - [ 0.0000051000000000, 0.0000029500000000, -0.0004610300000000 ] - [ 0.0000000000000000, -0.0000058900000000, -0.0004610300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004607400000000 ] - [ 0.0000013700000000, -0.0000007900000000, -0.0004778200000000 ] - [ -0.0000013700000000, -0.0000007900000000, -0.0004778200000000 ] - [ 0.0000000000000000, 0.0000015900000000, -0.0004778200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004782800000000 ] - [ -0.0000132100000000, 0.0000076300000000, -0.0010437900000000 ] - [ 0.0000132100000000, 0.0000076300000000, -0.0010437900000000 ] - [ 0.0000000000000000, -0.0000152500000000, -0.0010437900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009693200000000 ] - [ -0.0000001400000000, 0.0000000800000000, -0.0001904200000000 ] - [ 0.0000001400000000, 0.0000000800000000, -0.0001904200000000 ] - [ 0.0000000000000000, -0.0000001600000000, -0.0001904200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001911600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007566000000000 ] - [ 0.0000000000000000, 0.0000003400000000, 0.0007506400000000 ] - [ -0.0000002900000000, -0.0000001700000000, 0.0007506400000000 ] - [ 0.0000002900000000, -0.0000001700000000, 0.0007506400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003458900000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0003453300000000 ] - [ -0.0000000400000000, -0.0000000200000000, 0.0003453300000000 ] - [ 0.0000000400000000, -0.0000000200000000, 0.0003453300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004095000000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0004081300000000 ] - [ 0.0000000100000000, 0.0000000100000000, 0.0004081300000000 ] - [ -0.0000000100000000, 0.0000000100000000, 0.0004081300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010169500000000 ] - [ 0.0000000000000000, -0.0000504500000000, 0.0011469400000000 ] - [ 0.0000436900000000, 0.0000252300000000, 0.0011469400000000 ] - [ -0.0000436900000000, 0.0000252300000000, 0.0011469400000000 ] - [ 0.0000000000000000, 0.0000031000000000, -0.0003716100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003818800000000 ] - [ 0.0000026900000000, -0.0000015500000000, -0.0003716100000000 ] - [ -0.0000026900000000, -0.0000015500000000, -0.0003716100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0352468800000000 ] - [ 0.0000000000000000, 0.0001342800000000, -0.0002480000000000 ] - [ -0.0001162900000000, -0.0000671400000000, -0.0002480000000000 ] - [ 0.0001162900000000, -0.0000671400000000, -0.0002480000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013147900000000 ] - [ 0.0000000000000000, 0.0001945700000000, 0.0014489500000000 ] - [ -0.0001685000000000, -0.0000972900000000, 0.0014489500000000 ] - [ 0.0001685000000000, -0.0000972900000000, 0.0014489500000000 ] - [ 0.0006124100000000, -0.0003535700000000, 0.0001964100000000 ] - [ -0.0006124100000000, -0.0003535700000000, 0.0001964100000000 ] - [ 0.0000000000000000, 0.0007071500000000, 0.0001964100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005705400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000230900000000 ] - [ 0.0000000000000000, 0.0000003100000000, -0.0000186400000000 ] - [ -0.0000002700000000, -0.0000001500000000, -0.0000186400000000 ] - [ 0.0000002700000000, -0.0000001500000000, -0.0000186400000000 ] - [ -0.0034863300000000, 0.0020128300000000, 0.0024623500000000 ] - [ 0.0034863300000000, 0.0020128300000000, 0.0024623500000000 ] - [ 0.0000000000000000, -0.0040256600000000, 0.0024623500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022238400000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0000456600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000446100000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0000456600000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0000456600000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000002100000000, -0.0000317300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000318500000000 ] - [ -0.0000001800000000, 0.0000001000000000, -0.0000317300000000 ] - [ 0.0000001800000000, 0.0000001000000000, -0.0000317300000000 ] - [ 0.0000000000000000, -0.0000713200000000, 0.0001550800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001311100000000 ] - [ -0.0000617700000000, 0.0000356600000000, 0.0001550800000000 ] - [ 0.0000617700000000, 0.0000356600000000, 0.0001550800000000 ] - [ 0.0000000000000000, -0.0092835300000000, -0.0088609900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027585100000000 ] - [ -0.0080397700000000, 0.0046417700000000, -0.0088609900000000 ] - [ 0.0080397700000000, 0.0046417700000000, -0.0088609900000000 ] - [ 0.0000000000000000, -0.0000525600000000, 0.0005660800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008974500000000 ] - [ -0.0000455200000000, 0.0000262800000000, 0.0005660800000000 ] - [ 0.0000455200000000, 0.0000262800000000, 0.0005660800000000 ] - [ -0.0000005500000000, 0.0000003200000000, 0.0000564200000000 ] - [ 0.0000005500000000, 0.0000003200000000, 0.0000564200000000 ] - [ 0.0000000000000000, -0.0000006300000000, 0.0000564200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000553600000000 ] - [ 0.0000000000000000, -0.0000022400000000, -0.0005419500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005395400000000 ] - [ -0.0000019400000000, 0.0000011200000000, -0.0005419500000000 ] - [ 0.0000019400000000, 0.0000011200000000, -0.0005419500000000 ] - [ 0.0000050200000000, -0.0000029000000000, -0.0001019800000000 ] - [ -0.0000050200000000, -0.0000029000000000, -0.0001019800000000 ] - [ 0.0000000000000000, 0.0000058000000000, -0.0001019800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001022200000000 ] - [ -0.0000014000000000, 0.0000008100000000, -0.0006539900000000 ] - [ 0.0000014000000000, 0.0000008100000000, -0.0006539900000000 ] - [ 0.0000000000000000, -0.0000016100000000, -0.0006539900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006535800000000 ] - [ 0.0000133000000000, -0.0000076800000000, -0.0011819600000000 ] - [ -0.0000133000000000, -0.0000076800000000, -0.0011819600000000 ] - [ 0.0000000000000000, 0.0000153500000000, -0.0011819600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012570200000000 ] - [ 0.0000001000000000, -0.0000000600000000, -0.0003648200000000 ] - [ -0.0000001000000000, -0.0000000600000000, -0.0003648200000000 ] - [ 0.0000000000000000, 0.0000001100000000, -0.0003648200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003643100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005616000000000 ] - [ 0.0000000000000000, -0.0000002800000000, 0.0005674000000000 ] - [ 0.0000002400000000, 0.0000001400000000, 0.0005674000000000 ] - [ -0.0000002400000000, 0.0000001400000000, 0.0005674000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001594500000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0001599700000000 ] - [ 0.0000000600000000, 0.0000000300000000, 0.0001599700000000 ] - [ -0.0000000600000000, 0.0000000300000000, 0.0001599700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002219300000000 ] - [ 0.0000000000000000, 0.0000000100000000, 0.0002233300000000 ] - [ -0.0000000100000000, 0.0000000000000000, 0.0002233300000000 ] - [ 0.0000000100000000, 0.0000000000000000, 0.0002233300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010082500000000 ] - [ 0.0000000000000000, 0.0000504600000000, 0.0008776800000000 ] - [ -0.0000437000000000, -0.0000252300000000, 0.0008776800000000 ] - [ 0.0000437000000000, -0.0000252300000000, 0.0008776800000000 ] - [ 0.0000000000000000, -0.0000030800000000, -0.0005500200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005402100000000 ] - [ -0.0000026700000000, 0.0000015400000000, -0.0005500200000000 ] - [ 0.0000026700000000, 0.0000015400000000, -0.0005500200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0386267000000000 ] - [ 0.0000000000000000, -0.0001274300000000, 0.0032110000000000 ] - [ 0.0001103600000000, 0.0000637200000000, 0.0032110000000000 ] - [ -0.0001103600000000, 0.0000637200000000, 0.0032110000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013051000000000 ] - [ 0.0000000000000000, -0.0001895200000000, 0.0011748500000000 ] - [ 0.0001641300000000, 0.0000947600000000, 0.0011748500000000 ] - [ -0.0001641300000000, 0.0000947600000000, 0.0011748500000000 ] - [ -0.0005927500000000, 0.0003422200000000, -0.0011691200000000 ] - [ 0.0005927500000000, 0.0003422200000000, -0.0011691200000000 ] - [ 0.0000000000000000, -0.0006844500000000, -0.0011691200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004271600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002013300000000 ] - [ 0.0000000000000000, -0.0000003800000000, -0.0002057700000000 ] - [ 0.0000003300000000, 0.0000001900000000, -0.0002057700000000 ] - [ -0.0000003300000000, 0.0000001900000000, -0.0002057700000000 ] - [ 0.0035379200000000, -0.0020426200000000, -0.0050785300000000 ] - [ -0.0035379200000000, -0.0020426200000000, -0.0050785300000000 ] - [ 0.0000000000000000, 0.0040852400000000, -0.0050785300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003287100000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0001290800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001281600000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0001290800000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0001290800000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000002700000000, -0.0000000700000000, -0.0002114700000000 ] - [ -0.0000005200000000, -0.0000000500000000, -0.0002114600000000 ] - [ 0.0000006800000000, -0.0000006000000000, -0.0002120900000000 ] - [ 0.0000007600000000, 0.0000005700000000, -0.0002108300000000 ] - [ -0.0000030800000000, -0.0000000100000000, -0.0000344800000000 ] - [ 0.0000038000000000, -0.0000000100000000, -0.0000344800000000 ] - [ -0.0000001800000000, -0.0000017200000000, -0.0000352000000000 ] - [ -0.0000001700000000, 0.0000016100000000, -0.0000337500000000 ] - [ 0.0001435100000000, 0.0000000100000000, 0.0001568500000000 ] - [ -0.0001123400000000, -0.0000000500000000, 0.0001569700000000 ] - [ -0.0000116500000000, 0.0000897100000000, 0.0002512000000000 ] - [ -0.0000117200000000, -0.0000895400000000, 0.0000627600000000 ] - [ 0.0002133500000000, 0.0000150900000000, 0.0005364200000000 ] - [ -0.0009389300000000, 0.0000063600000000, 0.0005324800000000 ] - [ 0.0056133600000000, -0.0030949400000000, 0.0064475400000000 ] - [ 0.0058757700000000, 0.0032932200000000, -0.0056676700000000 ] - [ -0.0000002300000000, 0.0000001400000000, -0.0001234000000000 ] - [ -0.0000003100000000, 0.0000000200000000, -0.0001230000000000 ] - [ -0.0000001200000000, -0.0000000400000000, -0.0001232400000000 ] - [ -0.0000001700000000, -0.0000001300000000, -0.0001232200000000 ] - [ 0.0000000200000000, 0.0000000200000000, -0.0007216200000000 ] - [ -0.0000001200000000, 0.0000000300000000, -0.0007216400000000 ] - [ 0.0000002900000000, -0.0000000900000000, -0.0007220600000000 ] - [ 0.0000002600000000, 0.0000001900000000, -0.0007212200000000 ] - [ 0.0000047500000000, -0.0000297800000000, -0.0002670800000000 ] - [ 0.0000031400000000, 0.0000309700000000, -0.0002939900000000 ] - [ -0.0000486600000000, -0.0000000200000000, -0.0002813900000000 ] - [ -0.0001476000000000, -0.0000027200000000, -0.0002806100000000 ] - [ 0.0000004000000000, 0.0000001300000000, -0.0005664500000000 ] - [ 0.0000003700000000, 0.0000005300000000, -0.0005664900000000 ] - [ 0.0000000800000000, 0.0000002900000000, -0.0005665100000000 ] - [ -0.0000003900000000, 0.0000002500000000, -0.0005664500000000 ] - [ -0.0000002500000000, 0.0000000600000000, -0.0011112000000000 ] - [ -0.0000002600000000, 0.0000002600000000, -0.0011139700000000 ] - [ -0.0000004600000000, 0.0000001900000000, -0.0011124900000000 ] - [ 0.0000004600000000, 0.0000002000000000, -0.0011125300000000 ] - [ 0.0000006800000000, -0.0000008200000000, -0.0002772500000000 ] - [ 0.0000007200000000, 0.0000012800000000, -0.0002782200000000 ] - [ -0.0000011100000000, 0.0000001800000000, -0.0002777300000000 ] - [ -0.0000029100000000, 0.0000002000000000, -0.0002777900000000 ] - [ 0.0000285500000000, -0.0000002000000000, 0.0006578800000000 ] - [ -0.0000064100000000, -0.0000005700000000, 0.0006587000000000 ] - [ -0.0000469600000000, -0.0000225200000000, 0.0006271000000000 ] - [ -0.0000459300000000, 0.0000237000000000, 0.0006890800000000 ] - [ 0.0000022200000000, -0.0000001600000000, 0.0002518400000000 ] - [ 0.0000001100000000, -0.0000001700000000, 0.0002517600000000 ] - [ 0.0000002900000000, -0.0000000900000000, 0.0002519200000000 ] - [ 0.0000002800000000, -0.0000002600000000, 0.0002516600000000 ] - [ 0.0000001300000000, 0.0000000700000000, 0.0003146100000000 ] - [ -0.0000001200000000, 0.0000000800000000, 0.0003146500000000 ] - [ 0.0000003200000000, 0.0000003700000000, 0.0003145200000000 ] - [ 0.0000003500000000, -0.0000001900000000, 0.0003146800000000 ] - [ 0.0000004600000000, -0.0000001900000000, 0.0010114300000000 ] - [ 0.0000017800000000, -0.0000001700000000, 0.0010114300000000 ] - [ 0.0000000800000000, -0.0000011400000000, 0.0010157300000000 ] - [ 0.0000000500000000, 0.0000008100000000, 0.0010073200000000 ] - [ -0.0000141400000000, 0.0000036900000000, -0.0004650800000000 ] - [ -0.0000213500000000, 0.0000000600000000, -0.0004615800000000 ] - [ 0.0004624600000000, -0.0002739000000000, -0.0009364500000000 ] - [ 0.0004685300000000, 0.0002799500000000, 0.0000258900000000 ] - [ 0.0000319600000000, -0.0000002500000000, 0.0014859800000000 ] - [ 0.0000266900000000, -0.0000004200000000, 0.0014863000000000 ] - [ -0.0000492300000000, -0.0000443200000000, 0.0013197300000000 ] - [ -0.0000495100000000, 0.0000435300000000, 0.0016522700000000 ] - [ -0.0269325500000000, -0.0002006600000000, 0.0015808100000000 ] - [ 0.0107526300000000, -0.0000056900000000, 0.0013129700000000 ] - [ 0.0019866600000000, -0.0050521300000000, 0.0011473700000000 ] - [ 0.0019965200000000, 0.0050638900000000, 0.0014698100000000 ] - [ 0.0018036300000000, -0.0022317700000000, -0.0039858900000000 ] - [ 0.0018068300000000, 0.0022096100000000, 0.0029662000000000 ] - [ -0.0020410800000000, -0.0000066400000000, -0.0004895600000000 ] - [ -0.0007388900000000, -0.0000046500000000, -0.0004945400000000 ] - [ 0.0000007100000000, -0.0000001600000000, -0.0001125400000000 ] - [ 0.0000001500000000, -0.0000001900000000, -0.0001124600000000 ] - [ 0.0000007600000000, 0.0000001500000000, -0.0001125000000000 ] - [ 0.0000007600000000, -0.0000004900000000, -0.0001125600000000 ] - [ 0.0000056500000000, 0.0000364900000000, -0.0012899000000000 ] - [ 0.0000057200000000, -0.0000363100000000, -0.0012628300000000 ] - [ 0.0000687400000000, 0.0000001500000000, -0.0012765700000000 ] - [ -0.0000891200000000, 0.0000001600000000, -0.0012764300000000 ] - [ 0.0000007000000000, -0.0000001000000000, -0.0000415800000000 ] - [ 0.0000003500000000, -0.0000001100000000, -0.0000415500000000 ] - [ 0.0000001700000000, 0.0000001900000000, -0.0000414400000000 ] - [ 0.0000001500000000, -0.0000004200000000, -0.0000414600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000058300000000, -0.0003912100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003908800000000 ] - [ 0.0000050500000000, -0.0000029200000000, -0.0003912100000000 ] - [ -0.0000050500000000, -0.0000029200000000, -0.0003912100000000 ] - [ 0.0000000000000000, 0.0000022300000000, -0.0002146400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002170200000000 ] - [ 0.0000019300000000, -0.0000011100000000, -0.0002146400000000 ] - [ -0.0000019300000000, -0.0000011100000000, -0.0002146400000000 ] - [ 0.0000000000000000, 0.0000706100000000, -0.0000325500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000081200000000 ] - [ 0.0000611500000000, -0.0000353000000000, -0.0000325500000000 ] - [ -0.0000611500000000, -0.0000353000000000, -0.0000325500000000 ] - [ 0.0000000000000000, 0.0089996200000000, 0.0094403100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034160000000000 ] - [ 0.0077939000000000, -0.0044998100000000, 0.0094403100000000 ] - [ -0.0077939000000000, -0.0044998100000000, 0.0094403100000000 ] - [ -0.0000001300000000, 0.0000000800000000, -0.0003036300000000 ] - [ 0.0000001300000000, 0.0000000800000000, -0.0003036300000000 ] - [ 0.0000000000000000, -0.0000001500000000, -0.0003036300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003036000000000 ] - [ 0.0000000000000000, -0.0000005900000000, -0.0009028700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009019200000000 ] - [ -0.0000005100000000, 0.0000003000000000, -0.0009028700000000 ] - [ 0.0000005100000000, 0.0000003000000000, -0.0009028700000000 ] - [ -0.0000365300000000, 0.0000210900000000, -0.0003128100000000 ] - [ 0.0000365300000000, 0.0000210900000000, -0.0003128100000000 ] - [ 0.0000000000000000, -0.0000421800000000, -0.0003128100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006601400000000 ] - [ 0.0000000300000000, -0.0000000100000000, -0.0004766200000000 ] - [ -0.0000000300000000, -0.0000000100000000, -0.0004766200000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0004766200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004775200000000 ] - [ 0.0000013700000000, -0.0000007900000000, -0.0010219000000000 ] - [ -0.0000013700000000, -0.0000007900000000, -0.0010219000000000 ] - [ 0.0000000000000000, 0.0000015800000000, -0.0010219000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010223800000000 ] - [ -0.0000025600000000, 0.0000014800000000, -0.0001856500000000 ] - [ 0.0000025600000000, 0.0000014800000000, -0.0001856500000000 ] - [ 0.0000000000000000, -0.0000029500000000, -0.0001856500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001958500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006572600000000 ] - [ 0.0000000000000000, -0.0001963900000000, 0.0007976000000000 ] - [ 0.0001700800000000, 0.0000981900000000, 0.0007976000000000 ] - [ -0.0001700800000000, 0.0000981900000000, 0.0007976000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003477100000000 ] - [ 0.0000000000000000, -0.0000002500000000, 0.0003416600000000 ] - [ 0.0000002200000000, 0.0000001300000000, 0.0003416600000000 ] - [ -0.0000002200000000, 0.0000001300000000, 0.0003416600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004063100000000 ] - [ 0.0000000000000000, -0.0000000900000000, 0.0004057000000000 ] - [ 0.0000000800000000, 0.0000000500000000, 0.0004057000000000 ] - [ -0.0000000800000000, 0.0000000500000000, 0.0004057000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010994500000000 ] - [ 0.0000000000000000, 0.0000003800000000, 0.0011038900000000 ] - [ -0.0000003300000000, -0.0000001900000000, 0.0011038900000000 ] - [ 0.0000003300000000, -0.0000001900000000, 0.0011038900000000 ] - [ 0.0000000000000000, -0.0007298500000000, 0.0002112500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005315100000000 ] - [ -0.0006320700000000, 0.0003649300000000, 0.0002112500000000 ] - [ 0.0006320700000000, 0.0003649300000000, 0.0002112500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014892300000000 ] - [ 0.0000000000000000, -0.0000498200000000, 0.0016209800000000 ] - [ 0.0000431400000000, 0.0000249100000000, 0.0016209800000000 ] - [ -0.0000431400000000, 0.0000249100000000, 0.0016209800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0354088600000000 ] - [ 0.0000000000000000, 0.0001898900000000, -0.0003928600000000 ] - [ -0.0001644500000000, -0.0000949500000000, -0.0003928600000000 ] - [ 0.0001644500000000, -0.0000949500000000, -0.0003928600000000 ] - [ -0.0034779800000000, 0.0020080100000000, 0.0032464500000000 ] - [ 0.0034779800000000, 0.0020080100000000, 0.0032464500000000 ] - [ 0.0000000000000000, -0.0040160300000000, 0.0032464500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014590900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000204000000000 ] - [ 0.0000000000000000, -0.0000000200000000, -0.0000216100000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0000216100000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0000216100000000 ] - [ -0.0000130600000000, 0.0000075400000000, -0.0012048900000000 ] - [ 0.0000130600000000, 0.0000075400000000, -0.0012048900000000 ] - [ 0.0000000000000000, -0.0000150800000000, -0.0012048900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011307900000000 ] - [ 0.0000000000000000, 0.0000001600000000, 0.0000482400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000475900000000 ] - [ 0.0000001400000000, -0.0000000800000000, 0.0000482400000000 ] - [ -0.0000001400000000, -0.0000000800000000, 0.0000482400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000057300000000, -0.0000331600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000335000000000 ] - [ -0.0000049600000000, 0.0000028600000000, -0.0000331600000000 ] - [ 0.0000049600000000, 0.0000028600000000, -0.0000331600000000 ] - [ 0.0000000000000000, -0.0000022100000000, 0.0001455800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001479600000000 ] - [ -0.0000019100000000, 0.0000011000000000, 0.0001455800000000 ] - [ 0.0000019100000000, 0.0000011000000000, 0.0001455800000000 ] - [ 0.0000000000000000, -0.0000712400000000, 0.0003462900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003219100000000 ] - [ -0.0000616900000000, 0.0000356200000000, 0.0003462900000000 ] - [ 0.0000616900000000, 0.0000356200000000, 0.0003462900000000 ] - [ 0.0000000000000000, -0.0092779300000000, -0.0084803300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023702200000000 ] - [ -0.0080349200000000, 0.0046389600000000, -0.0084803300000000 ] - [ 0.0080349200000000, 0.0046389600000000, -0.0084803300000000 ] - [ 0.0000001500000000, -0.0000000900000000, 0.0000554200000000 ] - [ -0.0000001500000000, -0.0000000900000000, 0.0000554200000000 ] - [ 0.0000000000000000, 0.0000001700000000, 0.0000554200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000553200000000 ] - [ 0.0000000000000000, 0.0000005500000000, -0.0005416800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005426000000000 ] - [ 0.0000004700000000, -0.0000002700000000, -0.0005416800000000 ] - [ -0.0000004700000000, -0.0000002700000000, -0.0005416800000000 ] - [ 0.0000349800000000, -0.0000202000000000, -0.0002478300000000 ] - [ -0.0000349800000000, -0.0000202000000000, -0.0002478300000000 ] - [ 0.0000000000000000, 0.0000404000000000, -0.0002478300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000906700000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0006537200000000 ] - [ 0.0000000100000000, 0.0000000000000000, -0.0006537200000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0006537200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006527300000000 ] - [ -0.0000013700000000, 0.0000007900000000, -0.0012012100000000 ] - [ 0.0000013700000000, 0.0000007900000000, -0.0012012100000000 ] - [ 0.0000000000000000, -0.0000015800000000, -0.0012012100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012006600000000 ] - [ 0.0000024600000000, -0.0000014200000000, -0.0003678300000000 ] - [ -0.0000024600000000, -0.0000014200000000, -0.0003678300000000 ] - [ 0.0000000000000000, 0.0000028400000000, -0.0003678300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003579200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006558800000000 ] - [ 0.0000000000000000, 0.0001912700000000, 0.0005194200000000 ] - [ -0.0001656400000000, -0.0000956300000000, 0.0005194200000000 ] - [ 0.0001656400000000, -0.0000956300000000, 0.0005194200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001548400000000 ] - [ 0.0000000000000000, 0.0000002400000000, 0.0001606500000000 ] - [ -0.0000002100000000, -0.0000001200000000, 0.0001606500000000 ] - [ 0.0000002100000000, -0.0000001200000000, 0.0001606500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002215600000000 ] - [ 0.0000000000000000, 0.0000000900000000, 0.0002220800000000 ] - [ -0.0000000800000000, -0.0000000500000000, 0.0002220800000000 ] - [ 0.0000000800000000, -0.0000000500000000, 0.0002220800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009220100000000 ] - [ 0.0000000000000000, -0.0000003900000000, 0.0009176300000000 ] - [ 0.0000003400000000, 0.0000001900000000, 0.0009176300000000 ] - [ -0.0000003400000000, 0.0000001900000000, 0.0009176300000000 ] - [ 0.0000000000000000, 0.0007068400000000, -0.0011101800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003935400000000 ] - [ 0.0006121400000000, -0.0003534200000000, -0.0011101800000000 ] - [ -0.0006121400000000, -0.0003534200000000, -0.0011101800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014821100000000 ] - [ 0.0000000000000000, 0.0000497900000000, 0.0013498200000000 ] - [ -0.0000431200000000, -0.0000248900000000, 0.0013498200000000 ] - [ 0.0000431200000000, -0.0000248900000000, 0.0013498200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0384775000000000 ] - [ 0.0000000000000000, -0.0001820800000000, 0.0030022600000000 ] - [ 0.0001576800000000, 0.0000910400000000, 0.0030022600000000 ] - [ -0.0001576800000000, 0.0000910400000000, 0.0030022600000000 ] - [ 0.0035295700000000, -0.0020378000000000, -0.0043000700000000 ] - [ -0.0035295700000000, -0.0020378000000000, -0.0043000700000000 ] - [ 0.0000000000000000, 0.0040756000000000, -0.0043000700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004685200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002063800000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0002050900000000 ] - [ 0.0000000400000000, 0.0000000200000000, -0.0002050900000000 ] - [ -0.0000000400000000, 0.0000000200000000, -0.0002050900000000 ] - [ 0.0000131400000000, -0.0000075800000000, -0.0013460800000000 ] - [ -0.0000131400000000, -0.0000075800000000, -0.0013460800000000 ] - [ 0.0000000000000000, 0.0000151700000000, -0.0013460800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014207600000000 ] - [ 0.0000000000000000, -0.0000001300000000, -0.0001291100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001285900000000 ] - [ -0.0000001200000000, 0.0000000700000000, -0.0001291100000000 ] - [ 0.0000001200000000, 0.0000000700000000, -0.0001291100000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000003700000000, -0.0000009700000000, -0.0002103400000000 ] - [ -0.0000001700000000, 0.0000008400000000, -0.0002112400000000 ] - [ -0.0000006600000000, -0.0000000800000000, -0.0002108200000000 ] - [ 0.0000013300000000, 0.0000000800000000, -0.0002107600000000 ] - [ 0.0000007100000000, 0.0000000100000000, -0.0000348500000000 ] - [ 0.0000008500000000, -0.0000000600000000, -0.0000327600000000 ] - [ -0.0000014500000000, -0.0000000700000000, -0.0000338500000000 ] - [ 0.0000007400000000, -0.0000000100000000, -0.0000337800000000 ] - [ -0.0000046900000000, 0.0000112700000000, 0.0001590200000000 ] - [ -0.0000056200000000, -0.0000113700000000, 0.0001548600000000 ] - [ -0.0002389600000000, 0.0000000200000000, 0.0001575700000000 ] - [ -0.0000247300000000, -0.0000003100000000, 0.0001566200000000 ] - [ 0.0057137700000000, 0.0031447300000000, -0.0054990900000000 ] - [ 0.0059742000000000, -0.0033435100000000, 0.0068300500000000 ] - [ -0.0009400600000000, -0.0000062000000000, 0.0005224700000000 ] - [ 0.0002261600000000, -0.0000132000000000, 0.0005192800000000 ] - [ 0.0000000600000000, 0.0000000600000000, -0.0001225400000000 ] - [ -0.0000006900000000, 0.0000000800000000, -0.0001224800000000 ] - [ -0.0000005000000000, 0.0000000400000000, -0.0001225800000000 ] - [ -0.0000005400000000, -0.0000001800000000, -0.0001224800000000 ] - [ -0.0000002200000000, 0.0000000700000000, -0.0007210700000000 ] - [ -0.0000001600000000, 0.0000000000000000, -0.0007208300000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0007209700000000 ] - [ -0.0000002500000000, 0.0000000600000000, -0.0007209500000000 ] - [ 0.0000054200000000, 0.0000002100000000, -0.0002803100000000 ] - [ 0.0000064600000000, -0.0000000300000000, -0.0002801500000000 ] - [ -0.0000208000000000, -0.0000159200000000, -0.0003294800000000 ] - [ -0.0000211500000000, 0.0000157800000000, -0.0002312600000000 ] - [ 0.0000002300000000, 0.0000003000000000, -0.0005666800000000 ] - [ -0.0000001700000000, 0.0000003700000000, -0.0005666900000000 ] - [ 0.0000003300000000, 0.0000005800000000, -0.0005667200000000 ] - [ 0.0000003300000000, -0.0000000400000000, -0.0005667000000000 ] - [ -0.0000000800000000, 0.0000001900000000, -0.0011128300000000 ] - [ 0.0000011900000000, 0.0000001500000000, -0.0011127500000000 ] - [ -0.0000004000000000, -0.0000007400000000, -0.0011130800000000 ] - [ -0.0000004000000000, 0.0000011200000000, -0.0011123800000000 ] - [ 0.0000021200000000, 0.0000002100000000, -0.0002779900000000 ] - [ -0.0000004000000000, 0.0000002300000000, -0.0002779000000000 ] - [ -0.0000002500000000, 0.0000002800000000, -0.0002788600000000 ] - [ -0.0000002300000000, 0.0000001200000000, -0.0002770100000000 ] - [ 0.0000080300000000, -0.0000301700000000, 0.0006896700000000 ] - [ 0.0000082300000000, 0.0000302200000000, 0.0006260200000000 ] - [ -0.0000441500000000, 0.0000001200000000, 0.0006577600000000 ] - [ 0.0000280000000000, 0.0000001600000000, 0.0006578900000000 ] - [ 0.0000002200000000, -0.0000002200000000, 0.0002508500000000 ] - [ 0.0000001700000000, -0.0000001100000000, 0.0002521200000000 ] - [ 0.0000000800000000, -0.0000001700000000, 0.0002514600000000 ] - [ 0.0000008000000000, -0.0000001700000000, 0.0002515400000000 ] - [ 0.0000003400000000, -0.0000001300000000, 0.0003144300000000 ] - [ 0.0000003600000000, 0.0000002800000000, 0.0003142300000000 ] - [ -0.0000000100000000, 0.0000001100000000, 0.0003143000000000 ] - [ -0.0000004300000000, 0.0000001000000000, 0.0003142900000000 ] - [ 0.0000014600000000, -0.0000014200000000, 0.0010116700000000 ] - [ 0.0000014800000000, 0.0000010800000000, 0.0010106500000000 ] - [ -0.0000006500000000, -0.0000001300000000, 0.0010112400000000 ] - [ -0.0000030500000000, -0.0000001800000000, 0.0010112200000000 ] - [ -0.0000156200000000, -0.0000051700000000, -0.0004486800000000 ] - [ -0.0000155600000000, 0.0000052900000000, -0.0004743300000000 ] - [ 0.0001252700000000, 0.0000001900000000, -0.0004617800000000 ] - [ -0.0000065200000000, 0.0000000600000000, -0.0004612100000000 ] - [ 0.0006080600000000, -0.0003505400000000, 0.0020814600000000 ] - [ 0.0006139700000000, 0.0003558100000000, 0.0008764600000000 ] - [ -0.0000006800000000, 0.0000001000000000, 0.0014862900000000 ] - [ -0.0000149500000000, 0.0000000300000000, 0.0014865700000000 ] - [ 0.0018081300000000, -0.0022095400000000, -0.0021809600000000 ] - [ 0.0018033600000000, 0.0022318800000000, 0.0048262500000000 ] - [ -0.0020405300000000, 0.0000056400000000, 0.0013035400000000 ] - [ -0.0007383600000000, 0.0000048500000000, 0.0013078400000000 ] - [ -0.0273823500000000, 0.0001852700000000, -0.0007619100000000 ] - [ 0.0106458000000000, 0.0000052500000000, -0.0004998700000000 ] - [ 0.0019915900000000, -0.0050054500000000, -0.0006158600000000 ] - [ 0.0019815800000000, 0.0049930900000000, -0.0003756300000000 ] - [ 0.0000001500000000, 0.0000001900000000, -0.0001129800000000 ] - [ 0.0000001600000000, -0.0000005200000000, -0.0001125900000000 ] - [ 0.0000007200000000, -0.0000002100000000, -0.0001127900000000 ] - [ 0.0000003200000000, -0.0000001200000000, -0.0001128700000000 ] - [ 0.0000330000000000, -0.0000000200000000, -0.0012765300000000 ] - [ 0.0000271500000000, -0.0000003800000000, -0.0012765400000000 ] - [ -0.0000481000000000, -0.0000429500000000, -0.0012337300000000 ] - [ -0.0000485800000000, 0.0000441800000000, -0.0013202800000000 ] - [ 0.0000002100000000, 0.0000001800000000, -0.0000420100000000 ] - [ 0.0000001900000000, -0.0000003900000000, -0.0000415400000000 ] - [ 0.0000000300000000, -0.0000001100000000, -0.0000416700000000 ] - [ -0.0000002900000000, -0.0000001200000000, -0.0000416700000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000036600000000, 0.0000021100000000, -0.0003903400000000 ] - [ -0.0000036600000000, 0.0000021100000000, -0.0003903400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003862000000000 ] - [ 0.0000000000000000, -0.0000042300000000, -0.0003903400000000 ] - [ 0.0000099200000000, 0.0000057200000000, -0.0002149200000000 ] - [ -0.0000099200000000, 0.0000057200000000, -0.0002149200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002052000000000 ] - [ 0.0000000000000000, -0.0000114500000000, -0.0002149200000000 ] - [ -0.0000451900000000, -0.0000260900000000, 0.0001188100000000 ] - [ 0.0000451900000000, -0.0000260900000000, 0.0001188100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002139900000000 ] - [ 0.0000000000000000, 0.0000521800000000, 0.0001188100000000 ] - [ -0.0080646600000000, -0.0046561300000000, 0.0095547200000000 ] - [ 0.0080646600000000, -0.0046561300000000, 0.0095547200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0034227000000000 ] - [ 0.0000000000000000, 0.0093122700000000, 0.0095547200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003017200000000 ] - [ 0.0000000000000000, 0.0000002200000000, -0.0003012600000000 ] - [ -0.0000001900000000, -0.0000001100000000, -0.0003012600000000 ] - [ 0.0000001900000000, -0.0000001100000000, -0.0003012600000000 ] - [ -0.0000002600000000, -0.0000001500000000, -0.0009005900000000 ] - [ 0.0000002600000000, -0.0000001500000000, -0.0009005900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009003400000000 ] - [ 0.0000000000000000, 0.0000003000000000, -0.0009005900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003376300000000 ] - [ 0.0000000000000000, 0.0001839300000000, -0.0005050900000000 ] - [ -0.0001592900000000, -0.0000919700000000, -0.0005050900000000 ] - [ 0.0001592900000000, -0.0000919700000000, -0.0005050900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004772300000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0004778700000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0004778700000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0004778700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010261400000000 ] - [ 0.0000000000000000, -0.0000049100000000, -0.0010217300000000 ] - [ 0.0000042500000000, 0.0000024500000000, -0.0010217300000000 ] - [ -0.0000042500000000, 0.0000024500000000, -0.0010217300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001824000000000 ] - [ 0.0000000000000000, 0.0000002800000000, -0.0001907900000000 ] - [ -0.0000002500000000, -0.0000001400000000, -0.0001907900000000 ] - [ 0.0000002500000000, -0.0000001400000000, -0.0001907900000000 ] - [ 0.0000646200000000, -0.0000373100000000, 0.0007615300000000 ] - [ -0.0000646200000000, -0.0000373100000000, 0.0007615300000000 ] - [ 0.0000000000000000, 0.0000746200000000, 0.0007615300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007026000000000 ] - [ -0.0000014100000000, 0.0000008200000000, 0.0003425400000000 ] - [ 0.0000014100000000, 0.0000008200000000, 0.0003425400000000 ] - [ 0.0000000000000000, -0.0000016300000000, 0.0003425400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003402300000000 ] - [ 0.0000000800000000, -0.0000000500000000, 0.0004050100000000 ] - [ -0.0000000800000000, -0.0000000500000000, 0.0004050100000000 ] - [ 0.0000000000000000, 0.0000000900000000, 0.0004050100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004038900000000 ] - [ 0.0000004100000000, -0.0000002400000000, 0.0010962000000000 ] - [ -0.0000004100000000, -0.0000002400000000, 0.0010962000000000 ] - [ 0.0000000000000000, 0.0000004700000000, 0.0010962000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011235800000000 ] - [ 0.0000009900000000, 0.0000005700000000, -0.0004596100000000 ] - [ -0.0000009900000000, 0.0000005700000000, -0.0004596100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000729800000000 ] - [ 0.0000000000000000, -0.0000011500000000, -0.0004596100000000 ] - [ 0.0005932800000000, -0.0003425300000000, 0.0021601600000000 ] - [ -0.0005932800000000, -0.0003425300000000, 0.0021601600000000 ] - [ 0.0000000000000000, 0.0006850600000000, 0.0021601600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014183200000000 ] - [ -0.0035018700000000, 0.0020218000000000, 0.0051152800000000 ] - [ 0.0035018700000000, 0.0020218000000000, 0.0051152800000000 ] - [ 0.0000000000000000, -0.0040436100000000, 0.0051152800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003458700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0376106400000000 ] - [ 0.0000000000000000, 0.0001351500000000, -0.0022353200000000 ] - [ -0.0001170500000000, -0.0000675800000000, -0.0022353200000000 ] - [ 0.0001170500000000, -0.0000675800000000, -0.0022353200000000 ] - [ -0.0000002300000000, 0.0000001300000000, -0.0000221600000000 ] - [ 0.0000002300000000, 0.0000001300000000, -0.0000221600000000 ] - [ 0.0000000000000000, -0.0000002600000000, -0.0000221600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000228900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012736900000000 ] - [ 0.0000000000000000, 0.0001856000000000, -0.0011454900000000 ] - [ -0.0001607300000000, -0.0000928000000000, -0.0011454900000000 ] - [ 0.0001607300000000, -0.0000928000000000, -0.0011454900000000 ] - [ -0.0000002900000000, -0.0000001700000000, 0.0000468100000000 ] - [ 0.0000002900000000, -0.0000001700000000, 0.0000468100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000461800000000 ] - [ 0.0000000000000000, 0.0000003400000000, 0.0000468100000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000037100000000, -0.0000021400000000, -0.0000302600000000 ] - [ 0.0000037100000000, -0.0000021400000000, -0.0000302600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000344000000000 ] - [ 0.0000000000000000, 0.0000042800000000, -0.0000302600000000 ] - [ -0.0000102400000000, -0.0000059100000000, 0.0001498500000000 ] - [ 0.0000102400000000, -0.0000059100000000, 0.0001498500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001398200000000 ] - [ 0.0000000000000000, 0.0000118200000000, 0.0001498500000000 ] - [ 0.0000464700000000, 0.0000268300000000, 0.0001950100000000 ] - [ -0.0000464700000000, 0.0000268300000000, 0.0001950100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005364100000000 ] - [ 0.0000000000000000, -0.0000536600000000, 0.0001950100000000 ] - [ 0.0078237900000000, 0.0045170700000000, -0.0084072700000000 ] - [ -0.0078237900000000, 0.0045170700000000, -0.0084072700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023606800000000 ] - [ 0.0000000000000000, -0.0090341400000000, -0.0084072700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000571200000000 ] - [ 0.0000000000000000, -0.0000001700000000, 0.0000569400000000 ] - [ 0.0000001500000000, 0.0000000900000000, 0.0000569400000000 ] - [ -0.0000001500000000, 0.0000000900000000, 0.0000569400000000 ] - [ 0.0000002700000000, 0.0000001500000000, -0.0005401000000000 ] - [ -0.0000002700000000, 0.0000001500000000, -0.0005401000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005403300000000 ] - [ 0.0000000000000000, -0.0000003100000000, -0.0005401000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002217500000000 ] - [ 0.0000000000000000, -0.0001827900000000, -0.0000555500000000 ] - [ 0.0001583000000000, 0.0000913900000000, -0.0000555500000000 ] - [ -0.0001583000000000, 0.0000913900000000, -0.0000555500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006544800000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0006537400000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0006537400000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0006537400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011981900000000 ] - [ 0.0000000000000000, 0.0000050200000000, -0.0012026700000000 ] - [ -0.0000043500000000, -0.0000025100000000, -0.0012026700000000 ] - [ 0.0000043500000000, -0.0000025100000000, -0.0012026700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003725100000000 ] - [ 0.0000000000000000, -0.0000002300000000, -0.0003640600000000 ] - [ 0.0000002000000000, 0.0000001200000000, -0.0003640600000000 ] - [ -0.0000002000000000, 0.0000001200000000, -0.0003640600000000 ] - [ -0.0000642600000000, 0.0000371000000000, 0.0005531600000000 ] - [ 0.0000642600000000, 0.0000371000000000, 0.0005531600000000 ] - [ 0.0000000000000000, -0.0000742100000000, 0.0005531600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006116200000000 ] - [ 0.0000013900000000, -0.0000008000000000, 0.0001588200000000 ] - [ -0.0000013900000000, -0.0000008000000000, 0.0001588200000000 ] - [ 0.0000000000000000, 0.0000016100000000, 0.0001588200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001612100000000 ] - [ -0.0000000700000000, 0.0000000400000000, 0.0002217000000000 ] - [ 0.0000000700000000, 0.0000000400000000, 0.0002217000000000 ] - [ 0.0000000000000000, -0.0000000800000000, 0.0002217000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002227600000000 ] - [ -0.0000004000000000, 0.0000002300000000, 0.0009243800000000 ] - [ 0.0000004000000000, 0.0000002300000000, 0.0009243800000000 ] - [ 0.0000000000000000, -0.0000004600000000, 0.0009243800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008964500000000 ] - [ -0.0000008700000000, -0.0000005000000000, -0.0004631000000000 ] - [ 0.0000008700000000, -0.0000005000000000, -0.0004631000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008483500000000 ] - [ 0.0000000000000000, 0.0000010100000000, -0.0004631000000000 ] - [ -0.0006129400000000, 0.0003538800000000, 0.0007882900000000 ] - [ 0.0006129400000000, 0.0003538800000000, 0.0007882900000000 ] - [ 0.0000000000000000, -0.0007077600000000, 0.0007882900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015553400000000 ] - [ 0.0034504700000000, -0.0019921300000000, -0.0024334500000000 ] - [ -0.0034504700000000, -0.0019921300000000, -0.0024334500000000 ] - [ 0.0000000000000000, 0.0039842500000000, -0.0024334500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022710600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0361623100000000 ] - [ 0.0000000000000000, -0.0001419500000000, 0.0012535900000000 ] - [ 0.0001229300000000, 0.0000709800000000, 0.0012535900000000 ] - [ -0.0001229300000000, 0.0000709800000000, 0.0012535900000000 ] - [ 0.0000002500000000, -0.0000001500000000, -0.0002055600000000 ] - [ -0.0000002500000000, -0.0000001500000000, -0.0002055600000000 ] - [ 0.0000000000000000, 0.0000002900000000, -0.0002055600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002047400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012762700000000 ] - [ 0.0000000000000000, -0.0001906400000000, -0.0014082900000000 ] - [ 0.0001651000000000, 0.0000953200000000, -0.0014082900000000 ] - [ -0.0001651000000000, 0.0000953200000000, -0.0014082900000000 ] - [ 0.0000002900000000, 0.0000001700000000, -0.0001290300000000 ] - [ -0.0000002900000000, 0.0000001700000000, -0.0001290300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001283400000000 ] - [ 0.0000000000000000, -0.0000003400000000, -0.0001290300000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000022300000000, -0.0000000800000000, -0.0002115300000000 ] - [ -0.0000015700000000, -0.0000000800000000, -0.0002115500000000 ] - [ -0.0000001900000000, 0.0000013900000000, -0.0002113800000000 ] - [ -0.0000001600000000, -0.0000013700000000, -0.0002117200000000 ] - [ -0.0000237200000000, 0.0000002900000000, -0.0000335400000000 ] - [ -0.0002385600000000, -0.0000000700000000, -0.0000344800000000 ] - [ -0.0000045800000000, -0.0000108200000000, -0.0000356800000000 ] - [ -0.0000055200000000, 0.0000107100000000, -0.0000319700000000 ] - [ 0.0000006200000000, -0.0000001100000000, 0.0001569200000000 ] - [ -0.0000014600000000, -0.0000000200000000, 0.0001569600000000 ] - [ 0.0000006700000000, -0.0000000600000000, 0.0001580000000000 ] - [ 0.0000008000000000, 0.0000000400000000, 0.0001558200000000 ] - [ -0.0000002800000000, 0.0000000200000000, 0.0005271200000000 ] - [ -0.0000000800000000, -0.0000001000000000, 0.0005271000000000 ] - [ -0.0000002100000000, -0.0000000600000000, 0.0005273100000000 ] - [ -0.0000002600000000, 0.0000000200000000, 0.0005269100000000 ] - [ -0.0000037700000000, -0.0000977100000000, -0.0000538600000000 ] - [ -0.0000037400000000, 0.0000979400000000, -0.0001926000000000 ] - [ -0.0001731500000000, -0.0000000900000000, -0.0001232400000000 ] - [ 0.0002022100000000, -0.0000001000000000, -0.0001233100000000 ] - [ 0.0002293100000000, 0.0000131400000000, -0.0007131800000000 ] - [ -0.0009395000000000, 0.0000061600000000, -0.0007163100000000 ] - [ 0.0056946700000000, -0.0031319200000000, 0.0052769100000000 ] - [ 0.0059544200000000, 0.0033301100000000, -0.0069949600000000 ] - [ 0.0000001500000000, -0.0000000900000000, -0.0002805900000000 ] - [ 0.0000002100000000, 0.0000002000000000, -0.0002814900000000 ] - [ -0.0000000800000000, 0.0000000300000000, -0.0002810400000000 ] - [ -0.0000000800000000, 0.0000000700000000, -0.0002810300000000 ] - [ 0.0018222400000000, -0.0022173700000000, -0.0040927900000000 ] - [ 0.0018269200000000, 0.0021956400000000, 0.0029331800000000 ] - [ -0.0019970800000000, -0.0000055200000000, -0.0005607200000000 ] - [ -0.0007220200000000, -0.0000046700000000, -0.0005648600000000 ] - [ 0.0006102500000000, -0.0003547400000000, -0.0005028000000000 ] - [ 0.0006043800000000, 0.0003495100000000, -0.0017087200000000 ] - [ -0.0000025900000000, -0.0000000900000000, -0.0011129900000000 ] - [ -0.0000154100000000, 0.0000000100000000, -0.0011132900000000 ] - [ -0.0000002900000000, 0.0000001700000000, -0.0002789800000000 ] - [ -0.0000002700000000, 0.0000002700000000, -0.0002762500000000 ] - [ -0.0000003600000000, 0.0000001700000000, -0.0002775300000000 ] - [ 0.0000003100000000, 0.0000002100000000, -0.0002776400000000 ] - [ 0.0000001800000000, 0.0000001000000000, 0.0006582500000000 ] - [ -0.0000002700000000, 0.0000001000000000, 0.0006583100000000 ] - [ 0.0000003200000000, 0.0000004200000000, 0.0006581200000000 ] - [ 0.0000003000000000, -0.0000002600000000, 0.0006584100000000 ] - [ 0.0000022100000000, -0.0000001700000000, 0.0002519600000000 ] - [ 0.0000001600000000, -0.0000001600000000, 0.0002518700000000 ] - [ 0.0000001900000000, -0.0000001600000000, 0.0002521500000000 ] - [ 0.0000002000000000, -0.0000001800000000, 0.0002517100000000 ] - [ 0.0000288800000000, 0.0000000100000000, 0.0003146400000000 ] - [ -0.0000055500000000, -0.0000001200000000, 0.0003151200000000 ] - [ -0.0000454500000000, -0.0000230900000000, 0.0001502600000000 ] - [ -0.0000456500000000, 0.0000230800000000, 0.0004792000000000 ] - [ 0.0000328000000000, -0.0000000400000000, 0.0010114100000000 ] - [ 0.0000277800000000, 0.0000003400000000, 0.0010113900000000 ] - [ -0.0000477500000000, -0.0000441300000000, 0.0010552300000000 ] - [ -0.0000473300000000, 0.0000428100000000, 0.0009685900000000 ] - [ 0.0000005000000000, -0.0000000300000000, -0.0004611400000000 ] - [ 0.0000001000000000, -0.0000000400000000, -0.0004611400000000 ] - [ 0.0000008600000000, -0.0000002100000000, -0.0004611900000000 ] - [ 0.0000008600000000, 0.0000001900000000, -0.0004611000000000 ] - [ 0.0000004800000000, -0.0000001700000000, 0.0014861000000000 ] - [ 0.0000017100000000, -0.0000001800000000, 0.0014860700000000 ] - [ 0.0000001500000000, -0.0000010900000000, 0.0014856500000000 ] - [ 0.0000001100000000, 0.0000007700000000, 0.0014864300000000 ] - [ 0.0000006200000000, -0.0000001900000000, 0.0013096200000000 ] - [ 0.0000002900000000, -0.0000001600000000, 0.0013096500000000 ] - [ 0.0000007800000000, 0.0000001100000000, 0.0013096600000000 ] - [ 0.0000007700000000, -0.0000004700000000, 0.0013096900000000 ] - [ -0.0000004100000000, 0.0000003900000000, -0.0004961800000000 ] - [ -0.0000004200000000, -0.0000003200000000, -0.0004958600000000 ] - [ 0.0000001800000000, 0.0000000500000000, -0.0004959200000000 ] - [ -0.0000001900000000, 0.0000000600000000, -0.0004959400000000 ] - [ -0.0273123300000000, -0.0001847300000000, 0.0001483000000000 ] - [ 0.0106144100000000, -0.0000058900000000, -0.0001087400000000 ] - [ 0.0019830600000000, -0.0049740600000000, -0.0002247700000000 ] - [ 0.0019931800000000, 0.0049864700000000, -0.0000011800000000 ] - [ 0.0000009500000000, -0.0000011100000000, -0.0012758300000000 ] - [ 0.0000009700000000, 0.0000013600000000, -0.0012768000000000 ] - [ -0.0000011700000000, 0.0000001200000000, -0.0012763600000000 ] - [ -0.0000035100000000, 0.0000001000000000, -0.0012763200000000 ] - [ -0.0000429800000000, -0.0000001200000000, -0.0000413600000000 ] - [ 0.0000279900000000, -0.0000000600000000, -0.0000414000000000 ] - [ 0.0000087500000000, -0.0000300600000000, -0.0001057500000000 ] - [ 0.0000088300000000, 0.0000297200000000, 0.0000230500000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000031200000000, -0.0003929800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003902500000000 ] - [ -0.0000027000000000, 0.0000015600000000, -0.0003929800000000 ] - [ 0.0000027000000000, 0.0000015600000000, -0.0003929800000000 ] - [ 0.0000000000000000, 0.0000542600000000, -0.0000700700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004112500000000 ] - [ 0.0000469900000000, -0.0000271300000000, -0.0000700700000000 ] - [ -0.0000469900000000, -0.0000271300000000, -0.0000700700000000 ] - [ 0.0000000000000000, -0.0000118100000000, -0.0000256500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000155800000000 ] - [ -0.0000102300000000, 0.0000059100000000, -0.0000256500000000 ] - [ 0.0000102300000000, 0.0000059100000000, -0.0000256500000000 ] - [ 0.0000000000000000, 0.0000003100000000, 0.0003464600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003467800000000 ] - [ 0.0000002700000000, -0.0000001600000000, 0.0003464600000000 ] - [ -0.0000002700000000, -0.0000001600000000, 0.0003464600000000 ] - [ 0.0000025600000000, -0.0000014800000000, -0.0002948900000000 ] - [ -0.0000025600000000, -0.0000014800000000, -0.0002948900000000 ] - [ 0.0000000000000000, 0.0000029600000000, -0.0002948900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003443300000000 ] - [ 0.0000000000000000, 0.0089933700000000, 0.0082028400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021882700000000 ] - [ 0.0077884900000000, -0.0044966800000000, 0.0082028400000000 ] - [ -0.0077884900000000, -0.0044966800000000, 0.0082028400000000 ] - [ 0.0000004800000000, -0.0000002800000000, -0.0004625400000000 ] - [ -0.0000004800000000, -0.0000002800000000, -0.0004625400000000 ] - [ 0.0000000000000000, 0.0000005500000000, -0.0004625400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004616400000000 ] - [ -0.0034841200000000, 0.0020115600000000, 0.0031727700000000 ] - [ 0.0034841200000000, 0.0020115600000000, 0.0031727700000000 ] - [ 0.0000000000000000, -0.0040231200000000, 0.0031727700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015123300000000 ] - [ 0.0006129800000000, -0.0003539000000000, -0.0004120800000000 ] - [ -0.0006129800000000, -0.0003539000000000, -0.0004120800000000 ] - [ 0.0000000000000000, 0.0007078100000000, -0.0004120800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011814200000000 ] - [ -0.0000007700000000, 0.0000004500000000, -0.0001856700000000 ] - [ 0.0000007700000000, 0.0000004500000000, -0.0001856700000000 ] - [ 0.0000000000000000, -0.0000008900000000, -0.0001856700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001880600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007497700000000 ] - [ 0.0000000000000000, -0.0000000400000000, 0.0007486900000000 ] - [ 0.0000000300000000, 0.0000000200000000, 0.0007486900000000 ] - [ -0.0000000300000000, 0.0000000200000000, 0.0007486900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003468100000000 ] - [ 0.0000000000000000, -0.0000002800000000, 0.0003409100000000 ] - [ 0.0000002400000000, 0.0000001400000000, 0.0003409100000000 ] - [ -0.0000002400000000, 0.0000001400000000, 0.0003409100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003150100000000 ] - [ 0.0000000000000000, -0.0000361900000000, 0.0004505100000000 ] - [ 0.0000313400000000, 0.0000180900000000, 0.0004505100000000 ] - [ -0.0000313400000000, 0.0000180900000000, 0.0004505100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010117800000000 ] - [ 0.0000000000000000, 0.0001909400000000, 0.0011440200000000 ] - [ -0.0001653600000000, -0.0000954700000000, 0.0011440200000000 ] - [ 0.0001653600000000, -0.0000954700000000, 0.0011440200000000 ] - [ 0.0000000000000000, -0.0000000600000000, -0.0003697700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003707200000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0003697700000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0003697700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015729000000000 ] - [ 0.0000000000000000, -0.0000050200000000, 0.0015773600000000 ] - [ 0.0000043500000000, 0.0000025100000000, 0.0015773600000000 ] - [ -0.0000043500000000, 0.0000025100000000, 0.0015773600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014004800000000 ] - [ 0.0000000000000000, -0.0000000600000000, 0.0013997600000000 ] - [ 0.0000000500000000, 0.0000000300000000, 0.0013997600000000 ] - [ -0.0000000500000000, 0.0000000300000000, 0.0013997600000000 ] - [ -0.0000002400000000, 0.0000001400000000, -0.0004037400000000 ] - [ 0.0000002400000000, 0.0000001400000000, -0.0004037400000000 ] - [ 0.0000000000000000, -0.0000002800000000, -0.0004037400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004045600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0368721600000000 ] - [ 0.0000000000000000, 0.0001324000000000, -0.0018471600000000 ] - [ -0.0001146600000000, -0.0000662000000000, -0.0018471600000000 ] - [ 0.0001146600000000, -0.0000662000000000, -0.0018471600000000 ] - [ 0.0000004100000000, -0.0000002400000000, -0.0011894800000000 ] - [ -0.0000004100000000, -0.0000002400000000, -0.0011894800000000 ] - [ 0.0000000000000000, 0.0000004800000000, -0.0011894800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011617100000000 ] - [ 0.0000000000000000, -0.0000364100000000, 0.0000632400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000046500000000 ] - [ -0.0000315300000000, 0.0000182000000000, 0.0000632400000000 ] - [ 0.0000315300000000, 0.0000182000000000, 0.0000632400000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000031000000000, -0.0000310500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000338500000000 ] - [ 0.0000026800000000, -0.0000015500000000, -0.0000310500000000 ] - [ -0.0000026800000000, -0.0000015500000000, -0.0000310500000000 ] - [ 0.0000000000000000, -0.0000527000000000, 0.0000050800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003376900000000 ] - [ -0.0000456400000000, 0.0000263500000000, 0.0000050800000000 ] - [ 0.0000456400000000, 0.0000263500000000, 0.0000050800000000 ] - [ 0.0000000000000000, 0.0000114400000000, 0.0003395300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003297600000000 ] - [ 0.0000099100000000, -0.0000057200000000, 0.0003395300000000 ] - [ -0.0000099100000000, -0.0000057200000000, 0.0003395300000000 ] - [ 0.0000000000000000, -0.0000002700000000, 0.0007070600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007067300000000 ] - [ -0.0000002300000000, 0.0000001300000000, 0.0007070600000000 ] - [ 0.0000002300000000, 0.0000001300000000, 0.0007070600000000 ] - [ -0.0000024300000000, 0.0000014000000000, 0.0000468900000000 ] - [ 0.0000024300000000, 0.0000014000000000, 0.0000468900000000 ] - [ 0.0000000000000000, -0.0000028100000000, 0.0000468900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000967800000000 ] - [ 0.0000000000000000, -0.0092712800000000, -0.0097379300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0036379100000000 ] - [ -0.0080291600000000, 0.0046356400000000, -0.0097379300000000 ] - [ 0.0080291600000000, 0.0046356400000000, -0.0097379300000000 ] - [ -0.0000004800000000, 0.0000002800000000, -0.0001014100000000 ] - [ 0.0000004800000000, 0.0000002800000000, -0.0001014100000000 ] - [ 0.0000000000000000, -0.0000005500000000, -0.0001014100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001022700000000 ] - [ 0.0035357700000000, -0.0020413800000000, -0.0043666600000000 ] - [ -0.0035357700000000, -0.0020413800000000, -0.0043666600000000 ] - [ 0.0000000000000000, 0.0040827500000000, -0.0043666600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003828900000000 ] - [ -0.0005933200000000, 0.0003425500000000, -0.0017895300000000 ] - [ 0.0005933200000000, 0.0003425500000000, -0.0017895300000000 ] - [ 0.0000000000000000, -0.0006851100000000, -0.0017895300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010452600000000 ] - [ 0.0000007400000000, -0.0000004300000000, -0.0003673200000000 ] - [ -0.0000007400000000, -0.0000004300000000, -0.0003673200000000 ] - [ 0.0000000000000000, 0.0000008500000000, -0.0003673200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003649800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005662500000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0005673600000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0005673600000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0005673600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001560400000000 ] - [ 0.0000000000000000, 0.0000002800000000, 0.0001619500000000 ] - [ -0.0000002500000000, -0.0000001400000000, 0.0001619500000000 ] - [ 0.0000002500000000, -0.0000001400000000, 0.0001619500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003141900000000 ] - [ 0.0000000000000000, 0.0000361200000000, 0.0001778100000000 ] - [ -0.0000312800000000, -0.0000180600000000, 0.0001778100000000 ] - [ 0.0000312800000000, -0.0000180600000000, 0.0001778100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010078200000000 ] - [ 0.0000000000000000, -0.0001859300000000, 0.0008794600000000 ] - [ 0.0001610200000000, 0.0000929600000000, 0.0008794600000000 ] - [ -0.0001610200000000, 0.0000929600000000, 0.0008794600000000 ] - [ 0.0000000000000000, 0.0000000300000000, -0.0005500100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005492100000000 ] - [ 0.0000000300000000, -0.0000000100000000, -0.0005500100000000 ] - [ -0.0000000300000000, -0.0000000100000000, -0.0005500100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013981700000000 ] - [ 0.0000000000000000, 0.0000048600000000, 0.0013938200000000 ] - [ -0.0000042100000000, -0.0000024300000000, 0.0013938200000000 ] - [ 0.0000042100000000, -0.0000024300000000, 0.0013938200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012184400000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0012191900000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0012191900000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0012191900000000 ] - [ 0.0000002600000000, -0.0000001500000000, -0.0005864400000000 ] - [ -0.0000002600000000, -0.0000001500000000, -0.0005864400000000 ] - [ 0.0000000000000000, 0.0000003000000000, -0.0005864400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005856800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0370565700000000 ] - [ 0.0000000000000000, -0.0001256100000000, 0.0016110400000000 ] - [ 0.0001087800000000, 0.0000628100000000, 0.0016110400000000 ] - [ -0.0001087800000000, 0.0000628100000000, 0.0016110400000000 ] - [ -0.0000004000000000, 0.0000002300000000, -0.0013612300000000 ] - [ 0.0000004000000000, 0.0000002300000000, -0.0013612300000000 ] - [ 0.0000000000000000, -0.0000004600000000, -0.0013612300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013884800000000 ] - [ 0.0000000000000000, 0.0000367400000000, -0.0001438500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000849800000000 ] - [ 0.0000318200000000, -0.0000183700000000, -0.0001438500000000 ] - [ -0.0000318200000000, -0.0000183700000000, -0.0001438500000000 ]- atom: 77 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000001900000000, 0.0000000100000000, -0.0002105900000000 ] - [ 0.0000004100000000, -0.0000001700000000, -0.0002111700000000 ] - [ -0.0000003100000000, -0.0000000800000000, -0.0002109200000000 ] - [ 0.0000001800000000, 0.0000000900000000, -0.0002108500000000 ] - [ -0.0000046800000000, 0.0000109900000000, -0.0000324900000000 ] - [ -0.0000055200000000, -0.0000110100000000, -0.0000366800000000 ] - [ -0.0002387900000000, -0.0000000400000000, -0.0000339500000000 ] - [ -0.0000241400000000, -0.0000003300000000, -0.0000348400000000 ] - [ 0.0057147100000000, 0.0031451400000000, -0.0058582800000000 ] - [ 0.0059750400000000, -0.0033438500000000, 0.0064485800000000 ] - [ -0.0009413800000000, -0.0000061700000000, 0.0001521600000000 ] - [ 0.0002263400000000, -0.0000131400000000, 0.0001490200000000 ] - [ -0.0000119400000000, -0.0000887800000000, 0.0004340500000000 ] - [ -0.0000122300000000, 0.0000884500000000, 0.0006213400000000 ] - [ -0.0001114900000000, 0.0000000400000000, 0.0005277100000000 ] - [ 0.0001414900000000, -0.0000000900000000, 0.0005277800000000 ] - [ 0.0000004400000000, 0.0000000700000000, -0.0001226200000000 ] - [ 0.0000012100000000, 0.0000001000000000, -0.0001232700000000 ] - [ 0.0000002700000000, -0.0000006200000000, -0.0001229400000000 ] - [ 0.0000002400000000, 0.0000004600000000, -0.0001229900000000 ] - [ 0.0000006600000000, 0.0000000400000000, -0.0007219900000000 ] - [ 0.0000007400000000, -0.0000000400000000, -0.0007201000000000 ] - [ -0.0000014900000000, 0.0000000500000000, -0.0007210800000000 ] - [ 0.0000006200000000, 0.0000001000000000, -0.0007210700000000 ] - [ 0.0000043700000000, 0.0000000400000000, -0.0002803400000000 ] - [ -0.0000040100000000, 0.0000000600000000, -0.0002804200000000 ] - [ -0.0000006300000000, 0.0000020000000000, -0.0002818700000000 ] - [ -0.0000006000000000, -0.0000019100000000, -0.0002788800000000 ] - [ 0.0000000100000000, 0.0000003100000000, -0.0005667600000000 ] - [ 0.0000012100000000, 0.0000003800000000, -0.0005667500000000 ] - [ -0.0000003800000000, -0.0000006400000000, -0.0005672000000000 ] - [ -0.0000003900000000, 0.0000011700000000, -0.0005663800000000 ] - [ 0.0000325000000000, 0.0000000400000000, -0.0011128200000000 ] - [ 0.0000270800000000, -0.0000003800000000, -0.0011127600000000 ] - [ -0.0000480400000000, -0.0000428200000000, -0.0010697600000000 ] - [ -0.0000485000000000, 0.0000442100000000, -0.0011565200000000 ] - [ 0.0000001000000000, 0.0000002100000000, -0.0002780800000000 ] - [ -0.0000003300000000, 0.0000002300000000, -0.0002779800000000 ] - [ 0.0000002300000000, 0.0000005100000000, -0.0002780800000000 ] - [ 0.0000002400000000, -0.0000001200000000, -0.0002779600000000 ] - [ -0.0000003100000000, -0.0000003400000000, 0.0006567300000000 ] - [ -0.0000003000000000, 0.0000005400000000, 0.0006588300000000 ] - [ -0.0000010400000000, 0.0000000900000000, 0.0006577400000000 ] - [ 0.0000009900000000, 0.0000000800000000, 0.0006577800000000 ] - [ 0.0000008200000000, -0.0000003200000000, 0.0002515700000000 ] - [ 0.0000007500000000, -0.0000000100000000, 0.0002513100000000 ] - [ 0.0000004900000000, -0.0000001700000000, 0.0002514000000000 ] - [ -0.0000001000000000, -0.0000001700000000, 0.0002514800000000 ] - [ -0.0000003200000000, 0.0000004200000000, 0.0003141100000000 ] - [ -0.0000003000000000, -0.0000002700000000, 0.0003144300000000 ] - [ 0.0000002800000000, 0.0000001000000000, 0.0003142500000000 ] - [ -0.0000001100000000, 0.0000000900000000, 0.0003142400000000 ] - [ 0.0006069600000000, -0.0003508800000000, 0.0016088900000000 ] - [ 0.0006128400000000, 0.0003561000000000, 0.0003999700000000 ] - [ -0.0000022800000000, 0.0000001500000000, 0.0010118700000000 ] - [ -0.0000150100000000, -0.0000000100000000, 0.0010121000000000 ] - [ -0.0000004300000000, -0.0000008700000000, -0.0004659800000000 ] - [ -0.0000004200000000, 0.0000008000000000, -0.0004571000000000 ] - [ -0.0000002900000000, -0.0000000100000000, -0.0004614700000000 ] - [ 0.0000010300000000, -0.0000000200000000, -0.0004616000000000 ] - [ 0.0018254700000000, -0.0021988000000000, -0.0020128300000000 ] - [ 0.0018207700000000, 0.0022209200000000, 0.0050110900000000 ] - [ -0.0020044100000000, 0.0000056400000000, 0.0014799800000000 ] - [ -0.0007183900000000, 0.0000047900000000, 0.0014841600000000 ] - [ 0.0000062000000000, 0.0000362000000000, 0.0012960500000000 ] - [ 0.0000062200000000, -0.0000365100000000, 0.0013221500000000 ] - [ 0.0000692300000000, -0.0000001900000000, 0.0013092400000000 ] - [ -0.0000886200000000, -0.0000002200000000, 0.0013092500000000 ] - [ 0.0000329600000000, 0.0000001200000000, -0.0004964200000000 ] - [ 0.0000271400000000, 0.0000002700000000, -0.0004968300000000 ] - [ -0.0000484700000000, -0.0000433300000000, -0.0006592300000000 ] - [ -0.0000482400000000, 0.0000438900000000, -0.0003335500000000 ] - [ 0.0000014500000000, -0.0000013800000000, -0.0001123200000000 ] - [ 0.0000014600000000, 0.0000010500000000, -0.0001132400000000 ] - [ -0.0000006900000000, -0.0000002100000000, -0.0001128300000000 ] - [ -0.0000030100000000, -0.0000001200000000, -0.0001129100000000 ] - [ -0.0273575400000000, 0.0001853800000000, -0.0015346000000000 ] - [ 0.0106228100000000, 0.0000053600000000, -0.0012801600000000 ] - [ 0.0019944800000000, -0.0049904000000000, -0.0013892400000000 ] - [ 0.0019844500000000, 0.0049781700000000, -0.0011633600000000 ] - [ 0.0000001100000000, 0.0000001000000000, -0.0000414900000000 ] - [ 0.0000000800000000, -0.0000003100000000, -0.0000422100000000 ] - [ 0.0000001400000000, -0.0000001100000000, -0.0000417400000000 ] - [ -0.0000002700000000, -0.0000001200000000, -0.0000417400000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000003100000000, 0.0000001800000000, -0.0003897100000000 ] - [ -0.0000003100000000, 0.0000001800000000, -0.0003897100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003888700000000 ] - [ 0.0000000000000000, -0.0000003600000000, -0.0003897100000000 ] - [ -0.0000451200000000, -0.0000260500000000, -0.0000724200000000 ] - [ 0.0000451200000000, -0.0000260500000000, -0.0000724200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004045600000000 ] - [ 0.0000000000000000, 0.0000521000000000, -0.0000724200000000 ] - [ -0.0080546900000000, -0.0046503800000000, 0.0091814600000000 ] - [ 0.0080546900000000, -0.0046503800000000, 0.0091814600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030708800000000 ] - [ 0.0000000000000000, 0.0093007600000000, 0.0091814600000000 ] - [ -0.0000616500000000, -0.0000355900000000, 0.0003404600000000 ] - [ 0.0000616500000000, -0.0000355900000000, 0.0003404600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003640800000000 ] - [ 0.0000000000000000, 0.0000711900000000, 0.0003404600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003033400000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0003015300000000 ] - [ 0.0000000100000000, 0.0000000000000000, -0.0003015300000000 ] - [ -0.0000000100000000, 0.0000000000000000, -0.0003015300000000 ] - [ 0.0000099300000000, 0.0000057300000000, -0.0009028300000000 ] - [ -0.0000099300000000, 0.0000057300000000, -0.0009028300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008931700000000 ] - [ 0.0000000000000000, -0.0000114600000000, -0.0009028300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004611400000000 ] - [ 0.0000000000000000, -0.0000004400000000, -0.0004593100000000 ] - [ 0.0000003800000000, 0.0000002200000000, -0.0004593100000000 ] - [ -0.0000003800000000, 0.0000002200000000, -0.0004593100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004826100000000 ] - [ 0.0000000000000000, -0.0000048900000000, -0.0004782100000000 ] - [ 0.0000042400000000, 0.0000024500000000, -0.0004782100000000 ] - [ -0.0000042400000000, 0.0000024500000000, -0.0004782100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011127200000000 ] - [ 0.0000000000000000, 0.0001854100000000, -0.0009845600000000 ] - [ -0.0001605700000000, -0.0000927100000000, -0.0009845600000000 ] - [ 0.0001605700000000, -0.0000927100000000, -0.0009845600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001912200000000 ] - [ 0.0000000000000000, -0.0000000100000000, -0.0001922200000000 ] - [ 0.0000000100000000, 0.0000000100000000, -0.0001922200000000 ] - [ -0.0000000100000000, 0.0000000100000000, -0.0001922200000000 ] - [ -0.0000008400000000, 0.0000004800000000, 0.0007509400000000 ] - [ 0.0000008400000000, 0.0000004800000000, 0.0007509400000000 ] - [ 0.0000000000000000, -0.0000009700000000, 0.0007509400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007495100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003441600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003441600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003441600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003433300000000 ] - [ -0.0000002500000000, 0.0000001400000000, 0.0004073100000000 ] - [ 0.0000002500000000, 0.0000001400000000, 0.0004073100000000 ] - [ 0.0000000000000000, -0.0000002800000000, 0.0004073100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004064300000000 ] - [ 0.0005947700000000, -0.0003433900000000, 0.0016910200000000 ] - [ -0.0005947700000000, -0.0003433900000000, 0.0016910200000000 ] - [ 0.0000000000000000, 0.0006867800000000, 0.0016910200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009454100000000 ] - [ 0.0000004600000000, 0.0000002700000000, -0.0003755900000000 ] - [ -0.0000004600000000, 0.0000002700000000, -0.0003755900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003761300000000 ] - [ 0.0000000000000000, -0.0000005300000000, -0.0003755900000000 ] - [ -0.0035358300000000, 0.0020414100000000, 0.0052918800000000 ] - [ 0.0035358300000000, 0.0020414100000000, 0.0052918800000000 ] - [ 0.0000000000000000, -0.0040828300000000, 0.0052918800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005415800000000 ] - [ -0.0000136800000000, 0.0000079000000000, 0.0013833300000000 ] - [ 0.0000136800000000, 0.0000079000000000, 0.0013833300000000 ] - [ 0.0000000000000000, -0.0000158000000000, 0.0013833300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014580300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004990000000000 ] - [ 0.0000000000000000, -0.0000500500000000, -0.0003686800000000 ] - [ 0.0000433400000000, 0.0000250200000000, -0.0003686800000000 ] - [ -0.0000433400000000, 0.0000250200000000, -0.0003686800000000 ] - [ 0.0000003800000000, -0.0000002200000000, -0.0000265700000000 ] - [ -0.0000003800000000, -0.0000002200000000, -0.0000265700000000 ] - [ 0.0000000000000000, 0.0000004400000000, -0.0000265700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000006200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0384446800000000 ] - [ 0.0000000000000000, 0.0001268400000000, -0.0030045000000000 ] - [ -0.0001098500000000, -0.0000634200000000, -0.0030045000000000 ] - [ 0.0001098500000000, -0.0000634200000000, -0.0030045000000000 ] - [ 0.0000004500000000, 0.0000002600000000, 0.0000437000000000 ] - [ -0.0000004500000000, 0.0000002600000000, 0.0000437000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000431500000000 ] - [ 0.0000000000000000, -0.0000005200000000, 0.0000437000000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000003400000000, -0.0000001900000000, -0.0000313200000000 ] - [ 0.0000003400000000, -0.0000001900000000, -0.0000313200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000321800000000 ] - [ 0.0000000000000000, 0.0000003900000000, -0.0000313200000000 ] - [ 0.0000464200000000, 0.0000268000000000, 0.0000031400000000 ] - [ -0.0000464200000000, 0.0000268000000000, 0.0000031400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003438100000000 ] - [ 0.0000000000000000, -0.0000536000000000, 0.0000031400000000 ] - [ 0.0078137200000000, 0.0045112500000000, -0.0087736500000000 ] - [ -0.0078137200000000, 0.0045112500000000, -0.0087736500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027484900000000 ] - [ 0.0000000000000000, -0.0090225000000000, -0.0087736500000000 ] - [ 0.0000612000000000, 0.0000353300000000, 0.0007162100000000 ] - [ -0.0000612000000000, 0.0000353300000000, 0.0007162100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006926300000000 ] - [ 0.0000000000000000, -0.0000706600000000, 0.0007162100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000582500000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0000551500000000 ] - [ -0.0000000100000000, -0.0000000100000000, 0.0000551500000000 ] - [ 0.0000000100000000, -0.0000000100000000, 0.0000551500000000 ] - [ -0.0000102000000000, -0.0000058900000000, -0.0005382700000000 ] - [ 0.0000102000000000, -0.0000058900000000, -0.0005382700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005482100000000 ] - [ 0.0000000000000000, 0.0000117800000000, -0.0005382700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001000300000000 ] - [ 0.0000000000000000, 0.0000003500000000, -0.0001017000000000 ] - [ -0.0000003000000000, -0.0000001700000000, -0.0001017000000000 ] - [ 0.0000003000000000, -0.0000001700000000, -0.0001017000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006516300000000 ] - [ 0.0000000000000000, 0.0000050400000000, -0.0006560800000000 ] - [ -0.0000043600000000, -0.0000025200000000, -0.0006560800000000 ] - [ 0.0000043600000000, -0.0000025200000000, -0.0006560800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011126500000000 ] - [ 0.0000000000000000, -0.0001904300000000, -0.0012446400000000 ] - [ 0.0001649200000000, 0.0000952200000000, -0.0012446400000000 ] - [ -0.0001649200000000, 0.0000952200000000, -0.0012446400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003672900000000 ] - [ 0.0000000000000000, 0.0000000500000000, -0.0003662200000000 ] - [ -0.0000000400000000, -0.0000000200000000, -0.0003662200000000 ] - [ 0.0000000400000000, -0.0000000200000000, -0.0003662200000000 ] - [ 0.0000007700000000, -0.0000004400000000, 0.0005659200000000 ] - [ -0.0000007700000000, -0.0000004400000000, 0.0005659200000000 ] - [ 0.0000000000000000, 0.0000008900000000, 0.0005659200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005673600000000 ] - [ -0.0000000100000000, 0.0000000100000000, 0.0001593400000000 ] - [ 0.0000000100000000, 0.0000000100000000, 0.0001593400000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0001593400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001602500000000 ] - [ 0.0000002500000000, -0.0000001500000000, 0.0002218400000000 ] - [ -0.0000002500000000, -0.0000001500000000, 0.0002218400000000 ] - [ 0.0000000000000000, 0.0000002900000000, 0.0002218400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002226300000000 ] - [ -0.0006145000000000, 0.0003547800000000, 0.0003100400000000 ] - [ 0.0006145000000000, 0.0003547800000000, 0.0003100400000000 ] - [ 0.0000000000000000, -0.0007095600000000, 0.0003100400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010807600000000 ] - [ -0.0000004700000000, -0.0000002700000000, -0.0005497000000000 ] - [ 0.0000004700000000, -0.0000002700000000, -0.0005497000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005491400000000 ] - [ 0.0000000000000000, 0.0000005400000000, -0.0005497000000000 ] - [ 0.0034841000000000, -0.0020115500000000, -0.0022560300000000 ] - [ -0.0034841000000000, -0.0020115500000000, -0.0022560300000000 ] - [ 0.0000000000000000, 0.0040230900000000, -0.0022560300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024298200000000 ] - [ 0.0000136200000000, -0.0000078700000000, 0.0012368400000000 ] - [ -0.0000136200000000, -0.0000078700000000, 0.0012368400000000 ] - [ 0.0000000000000000, 0.0000157300000000, 0.0012368400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011627700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004980700000000 ] - [ 0.0000000000000000, 0.0000499800000000, -0.0006276400000000 ] - [ -0.0000432800000000, -0.0000249900000000, -0.0006276400000000 ] - [ 0.0000432800000000, -0.0000249900000000, -0.0006276400000000 ] - [ -0.0000003900000000, 0.0000002300000000, -0.0001996700000000 ] - [ 0.0000003900000000, 0.0000002300000000, -0.0001996700000000 ] - [ 0.0000000000000000, -0.0000004500000000, -0.0001996700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002274600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0354876400000000 ] - [ 0.0000000000000000, -0.0001336500000000, 0.0004588000000000 ] - [ 0.0001157400000000, 0.0000668200000000, 0.0004588000000000 ] - [ -0.0001157400000000, 0.0000668200000000, 0.0004588000000000 ] - [ -0.0000004500000000, -0.0000002600000000, -0.0001296000000000 ] - [ 0.0000004500000000, -0.0000002600000000, -0.0001296000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001290500000000 ] - [ 0.0000000000000000, 0.0000005200000000, -0.0001296000000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000288500000000, -0.0000000800000000, -0.0002116100000000 ] - [ -0.0000822300000000, -0.0000007800000000, -0.0002118500000000 ] - [ 0.0000197100000000, 0.0000593700000000, -0.0002004200000000 ] - [ 0.0000183100000000, -0.0000574800000000, -0.0002218400000000 ] - [ -0.0000026400000000, -0.0000000200000000, -0.0000338500000000 ] - [ 0.0000030700000000, -0.0000000200000000, -0.0000338500000000 ] - [ -0.0000005300000000, -0.0000021400000000, -0.0000357300000000 ] - [ -0.0000005300000000, 0.0000020200000000, -0.0000319600000000 ] - [ 0.0000000500000000, -0.0000000800000000, 0.0001575700000000 ] - [ -0.0000007300000000, -0.0000000200000000, 0.0001576100000000 ] - [ -0.0000005700000000, 0.0000000800000000, 0.0001576100000000 ] - [ -0.0000004600000000, -0.0000001300000000, 0.0001575600000000 ] - [ 0.0000004600000000, 0.0000000300000000, 0.0005277500000000 ] - [ 0.0000011100000000, -0.0000000900000000, 0.0005270400000000 ] - [ 0.0000002500000000, -0.0000005600000000, 0.0005274100000000 ] - [ 0.0000002000000000, 0.0000005100000000, 0.0005274000000000 ] - [ 0.0059767900000000, 0.0033424900000000, 0.0061802600000000 ] - [ 0.0057163700000000, -0.0031437900000000, -0.0061501000000000 ] - [ -0.0009375400000000, 0.0000061200000000, -0.0001279000000000 ] - [ 0.0002303300000000, 0.0000131400000000, -0.0001310500000000 ] - [ 0.0000058300000000, -0.0000001500000000, -0.0007210400000000 ] - [ 0.0000059200000000, 0.0000001000000000, -0.0007208200000000 ] - [ -0.0000212600000000, -0.0000154200000000, -0.0006716700000000 ] - [ -0.0000209200000000, 0.0000157700000000, -0.0007705100000000 ] - [ 0.0000004800000000, 0.0000012200000000, -0.0002811900000000 ] - [ 0.0000005300000000, -0.0000011600000000, -0.0002795500000000 ] - [ 0.0000006900000000, 0.0000000500000000, -0.0002803600000000 ] - [ -0.0000015400000000, 0.0000000900000000, -0.0002803500000000 ] - [ -0.0000154700000000, -0.0000049600000000, -0.0005790800000000 ] - [ -0.0000155600000000, 0.0000054300000000, -0.0005545700000000 ] - [ 0.0001250800000000, 0.0000001000000000, -0.0005672300000000 ] - [ -0.0000066000000000, 0.0000001700000000, -0.0005664600000000 ] - [ -0.0000008500000000, -0.0000004800000000, -0.0011166700000000 ] - [ -0.0000008500000000, 0.0000007900000000, -0.0011091000000000 ] - [ -0.0000004400000000, 0.0000001900000000, -0.0011127900000000 ] - [ 0.0000003000000000, 0.0000002000000000, -0.0011128300000000 ] - [ -0.0000156200000000, -0.0000051300000000, -0.0002769700000000 ] - [ -0.0000159200000000, 0.0000056500000000, -0.0002787000000000 ] - [ 0.0001260200000000, 0.0000002300000000, -0.0002787400000000 ] - [ -0.0000064400000000, 0.0000001800000000, -0.0002783100000000 ] - [ -0.0000011700000000, 0.0000000900000000, 0.0006579000000000 ] - [ -0.0000029800000000, 0.0000001000000000, 0.0006579400000000 ] - [ 0.0000006700000000, -0.0000009600000000, 0.0006602200000000 ] - [ 0.0000006800000000, 0.0000011300000000, 0.0006555200000000 ] - [ -0.0000149800000000, -0.0000004700000000, 0.0002521400000000 ] - [ -0.0000214900000000, -0.0000006800000000, 0.0002523000000000 ] - [ 0.0004685900000000, -0.0002812900000000, -0.0003801500000000 ] - [ 0.0004635200000000, 0.0002742500000000, 0.0008697800000000 ] - [ -0.0020343000000000, -0.0000057400000000, 0.0003085600000000 ] - [ -0.0007420300000000, -0.0000049200000000, 0.0003129100000000 ] - [ 0.0018052900000000, -0.0022295000000000, 0.0038307800000000 ] - [ 0.0018101700000000, 0.0022069500000000, -0.0031752600000000 ] - [ 0.0000021700000000, -0.0000001900000000, 0.0010111800000000 ] - [ -0.0000015100000000, -0.0000001700000000, 0.0010111700000000 ] - [ 0.0000001300000000, 0.0000010800000000, 0.0010106000000000 ] - [ 0.0000000900000000, -0.0000014000000000, 0.0010119500000000 ] - [ 0.0000026300000000, -0.0000000400000000, -0.0004615600000000 ] - [ 0.0000001000000000, -0.0000000400000000, -0.0004615500000000 ] - [ 0.0000003500000000, 0.0000001400000000, -0.0004611800000000 ] - [ 0.0000003600000000, -0.0000001800000000, -0.0004618900000000 ] - [ 0.0000004300000000, -0.0000001600000000, 0.0014857400000000 ] - [ -0.0000000300000000, -0.0000001800000000, 0.0014857100000000 ] - [ 0.0000007700000000, -0.0000003800000000, 0.0014856300000000 ] - [ 0.0000007500000000, 0.0000000400000000, 0.0014857300000000 ] - [ 0.0000006600000000, -0.0000001800000000, 0.0013092200000000 ] - [ 0.0000003200000000, -0.0000001700000000, 0.0013092800000000 ] - [ 0.0000001300000000, 0.0000001600000000, 0.0013092600000000 ] - [ 0.0000001100000000, -0.0000005200000000, 0.0013093400000000 ] - [ -0.0000005100000000, 0.0000002800000000, -0.0004968600000000 ] - [ -0.0000005300000000, -0.0000002300000000, -0.0004960200000000 ] - [ -0.0000003900000000, 0.0000000500000000, -0.0004963400000000 ] - [ -0.0000008900000000, 0.0000000600000000, -0.0004963300000000 ] - [ -0.0000430400000000, -0.0000001800000000, -0.0001128300000000 ] - [ 0.0000279600000000, -0.0000002800000000, -0.0001126400000000 ] - [ 0.0000088100000000, -0.0000300300000000, -0.0001444400000000 ] - [ 0.0000086200000000, 0.0000298400000000, -0.0000810800000000 ] - [ -0.0000004000000000, 0.0000003600000000, -0.0012763700000000 ] - [ -0.0000003900000000, -0.0000001200000000, -0.0012770600000000 ] - [ -0.0000006500000000, 0.0000001200000000, -0.0012767800000000 ] - [ -0.0000008400000000, 0.0000001000000000, -0.0012767300000000 ] - [ -0.0273896200000000, -0.0001851000000000, -0.0003035000000000 ] - [ 0.0106564500000000, -0.0000057900000000, -0.0000451300000000 ] - [ 0.0019650800000000, -0.0050085900000000, 0.0000808600000000 ] - [ 0.0019749900000000, 0.0050213100000000, -0.0001631200000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003933000000000 ] - [ 0.0000000000000000, 0.0002890000000000, -0.0002788500000000 ] - [ -0.0002502800000000, -0.0001445000000000, -0.0002788500000000 ] - [ 0.0002502800000000, -0.0001445000000000, -0.0002788500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002110200000000 ] - [ 0.0000000000000000, 0.0000026100000000, -0.0002111700000000 ] - [ -0.0000022600000000, -0.0000013000000000, -0.0002111700000000 ] - [ 0.0000022600000000, -0.0000013000000000, -0.0002111700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000204500000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0000197800000000 ] - [ 0.0000000200000000, 0.0000000100000000, -0.0000197800000000 ] - [ -0.0000000200000000, 0.0000000100000000, -0.0000197800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003498300000000 ] - [ 0.0000000000000000, 0.0000002300000000, 0.0003514600000000 ] - [ -0.0000002000000000, -0.0000001100000000, 0.0003514600000000 ] - [ 0.0000002000000000, -0.0000001100000000, 0.0003514600000000 ] - [ 0.0080528700000000, 0.0046493300000000, 0.0089020800000000 ] - [ -0.0080528700000000, 0.0046493300000000, 0.0089020800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027829500000000 ] - [ 0.0000000000000000, -0.0092986600000000, 0.0089020800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007773400000000 ] - [ 0.0000000000000000, -0.0001837500000000, -0.0009448800000000 ] - [ 0.0001591300000000, 0.0000918700000000, -0.0009448800000000 ] - [ -0.0001591300000000, 0.0000918700000000, -0.0009448800000000 ] - [ 0.0000087100000000, 0.0000050300000000, -0.0004556300000000 ] - [ -0.0000087100000000, 0.0000050300000000, -0.0004556300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004609200000000 ] - [ 0.0000000000000000, -0.0000100500000000, -0.0004556300000000 ] - [ -0.0000008700000000, -0.0000005000000000, -0.0005645100000000 ] - [ 0.0000008700000000, -0.0000005000000000, -0.0005645100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001801300000000 ] - [ 0.0000000000000000, 0.0000010100000000, -0.0005645100000000 ] - [ 0.0000010400000000, 0.0000006000000000, -0.0010223900000000 ] - [ -0.0000010400000000, 0.0000006000000000, -0.0010223900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010281400000000 ] - [ 0.0000000000000000, -0.0000012000000000, -0.0010223900000000 ] - [ 0.0000121800000000, 0.0000070300000000, -0.0002749000000000 ] - [ -0.0000121800000000, 0.0000070300000000, -0.0002749000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001063500000000 ] - [ 0.0000000000000000, -0.0000140700000000, -0.0002749000000000 ] - [ 0.0000000000000000, -0.0000004600000000, 0.0007485100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007387100000000 ] - [ -0.0000004000000000, 0.0000002300000000, 0.0007485100000000 ] - [ 0.0000004000000000, 0.0000002300000000, 0.0007485100000000 ] - [ 0.0000000000000000, -0.0005485400000000, 0.0009046300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001839100000000 ] - [ -0.0004750500000000, 0.0002742700000000, 0.0009046300000000 ] - [ 0.0004750500000000, 0.0002742700000000, 0.0009046300000000 ] - [ 0.0000000000000000, 0.0040493300000000, 0.0041174400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006525200000000 ] - [ 0.0035068300000000, -0.0020246700000000, 0.0041174400000000 ] - [ -0.0035068300000000, -0.0020246700000000, 0.0041174400000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0010989800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011007300000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0010989800000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0010989800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003653400000000 ] - [ 0.0000000000000000, -0.0000011200000000, -0.0003736800000000 ] - [ 0.0000009700000000, 0.0000005600000000, -0.0003736800000000 ] - [ -0.0000009700000000, 0.0000005600000000, -0.0003736800000000 ] - [ 0.0000000000000000, 0.0000000400000000, 0.0015733000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015722300000000 ] - [ 0.0000000300000000, -0.0000000200000000, 0.0015733000000000 ] - [ -0.0000000300000000, -0.0000000200000000, 0.0015733000000000 ] - [ 0.0000000000000000, 0.0000001600000000, 0.0013982200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013975400000000 ] - [ 0.0000001400000000, -0.0000000800000000, 0.0013982200000000 ] - [ -0.0000001400000000, -0.0000000800000000, 0.0013982200000000 ] - [ -0.0000003700000000, -0.0000002100000000, -0.0004075900000000 ] - [ 0.0000003700000000, -0.0000002100000000, -0.0004075900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004078300000000 ] - [ 0.0000000000000000, 0.0000004300000000, -0.0004075900000000 ] - [ 0.0000000000000000, -0.0000744600000000, -0.0000113000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000704600000000 ] - [ -0.0000644800000000, 0.0000372300000000, -0.0000113000000000 ] - [ 0.0000644800000000, 0.0000372300000000, -0.0000113000000000 ] - [ 0.0000002500000000, 0.0000001500000000, -0.0011868500000000 ] - [ -0.0000002500000000, 0.0000001500000000, -0.0011868500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011878100000000 ] - [ 0.0000000000000000, -0.0000002900000000, -0.0011868500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0371096700000000 ] - [ 0.0000000000000000, -0.0001372500000000, -0.0017988900000000 ] - [ 0.0001188700000000, 0.0000686300000000, -0.0017988900000000 ] - [ -0.0001188700000000, 0.0000686300000000, -0.0017988900000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000287100000000 ] - [ 0.0000000000000000, -0.0002965500000000, -0.0001446900000000 ] - [ 0.0002568200000000, 0.0001482700000000, -0.0001446900000000 ] - [ -0.0002568200000000, 0.0001482700000000, -0.0001446900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001448600000000 ] - [ 0.0000000000000000, -0.0000026900000000, 0.0001450100000000 ] - [ 0.0000023300000000, 0.0000013500000000, 0.0001450100000000 ] - [ -0.0000023300000000, 0.0000013500000000, 0.0001450100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003367300000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0003363300000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0003363300000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0003363300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007069300000000 ] - [ 0.0000000000000000, -0.0000001300000000, 0.0007040600000000 ] - [ 0.0000001100000000, 0.0000000600000000, 0.0007040600000000 ] - [ -0.0000001100000000, 0.0000000600000000, 0.0007040600000000 ] - [ -0.0078115800000000, -0.0045100200000000, -0.0090540300000000 ] - [ 0.0078115800000000, -0.0045100200000000, -0.0090540300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030206700000000 ] - [ 0.0000000000000000, 0.0090200400000000, -0.0090540300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006628300000000 ] - [ 0.0000000000000000, 0.0001825400000000, -0.0004966400000000 ] - [ -0.0001580900000000, -0.0000912700000000, -0.0004966400000000 ] - [ 0.0001580900000000, -0.0000912700000000, -0.0004966400000000 ] - [ -0.0000089100000000, -0.0000051400000000, -0.0001044600000000 ] - [ 0.0000089100000000, -0.0000051400000000, -0.0001044600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000990000000000 ] - [ 0.0000000000000000, 0.0000102800000000, -0.0001044600000000 ] - [ 0.0000007600000000, 0.0000004400000000, -0.0005699900000000 ] - [ -0.0000007600000000, 0.0000004400000000, -0.0005699900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009529700000000 ] - [ 0.0000000000000000, -0.0000008700000000, -0.0005699900000000 ] - [ -0.0000010300000000, -0.0000006000000000, -0.0012051600000000 ] - [ 0.0000010300000000, -0.0000006000000000, -0.0012051600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011995500000000 ] - [ 0.0000000000000000, 0.0000011900000000, -0.0012051600000000 ] - [ -0.0000126200000000, -0.0000072900000000, -0.0002796400000000 ] - [ 0.0000126200000000, -0.0000072900000000, -0.0002796400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006707400000000 ] - [ 0.0000000000000000, 0.0000145700000000, -0.0002796400000000 ] - [ 0.0000000000000000, 0.0000004600000000, 0.0005663700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005765500000000 ] - [ 0.0000004000000000, -0.0000002300000000, 0.0005663700000000 ] - [ -0.0000004000000000, -0.0000002300000000, 0.0005663700000000 ] - [ 0.0000000000000000, 0.0005662200000000, -0.0004220800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003226300000000 ] - [ 0.0004903600000000, -0.0002831100000000, -0.0004220800000000 ] - [ -0.0004903600000000, -0.0002831100000000, -0.0004220800000000 ] - [ 0.0000000000000000, -0.0039903500000000, -0.0034245800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012815000000000 ] - [ -0.0034557500000000, 0.0019951800000000, -0.0034245800000000 ] - [ 0.0034557500000000, 0.0019951800000000, -0.0034245800000000 ] - [ 0.0000000000000000, 0.0000000600000000, 0.0009230500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009212800000000 ] - [ 0.0000000500000000, -0.0000000300000000, 0.0009230500000000 ] - [ -0.0000000500000000, -0.0000000300000000, 0.0009230500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005571300000000 ] - [ 0.0000000000000000, 0.0000011400000000, -0.0005487100000000 ] - [ -0.0000009900000000, -0.0000005700000000, -0.0005487100000000 ] - [ 0.0000009900000000, -0.0000005700000000, -0.0005487100000000 ] - [ 0.0000000000000000, -0.0000000100000000, 0.0013964500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013975000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013964500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013964500000000 ] - [ 0.0000000000000000, -0.0000001300000000, 0.0012204700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012210500000000 ] - [ -0.0000001100000000, 0.0000000700000000, 0.0012204700000000 ] - [ 0.0000001100000000, 0.0000000700000000, 0.0012204700000000 ] - [ 0.0000003500000000, 0.0000002000000000, -0.0005867200000000 ] - [ -0.0000003500000000, 0.0000002000000000, -0.0005867200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005865000000000 ] - [ 0.0000000000000000, -0.0000004100000000, -0.0005867200000000 ] - [ 0.0000000000000000, 0.0000740100000000, -0.0002147300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001561800000000 ] - [ 0.0000641000000000, -0.0000370100000000, -0.0002147300000000 ] - [ -0.0000641000000000, -0.0000370100000000, -0.0002147300000000 ] - [ -0.0000002700000000, -0.0000001600000000, -0.0013669900000000 ] - [ 0.0000002700000000, -0.0000001600000000, -0.0013669900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013660200000000 ] - [ 0.0000000000000000, 0.0000003200000000, -0.0013669900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0365977600000000 ] - [ 0.0000000000000000, 0.0001443400000000, 0.0017245200000000 ] - [ -0.0001250000000000, -0.0000721700000000, 0.0017245200000000 ] - [ 0.0001250000000000, -0.0000721700000000, 0.0017245200000000 ]