# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d4f556f4-b38e-4eb6-8c2b-854ff59d7f68/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 Li5BiO5 / Cm (8) / materials id 29365](https://mdr.nims.go.jp/datasets/dc20c8dd-8f4e-4a11-9a8b-7ff3e8724749) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Cm" number: 8 Hall_symbol: "C -2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.911296780000000, -2.112644009999999, 0.008923225000000 ] # a - [ 4.911296780000000, 2.112644009999999, 0.008923225000000 ] # b - [ -1.997398100000000, 0.000000000000000, 5.612084060000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.296673280000000, 0.296673280000000, 0.642911760000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.006279690000000, 0.006279690000000, 0.484537060000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.694313640000000, 0.694313640000000, 0.844203860000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.317990630000000, 0.317990630000000, 0.124877980000000 ] mass: 6.941000 - symbol: Li # 5 coordinates: [ 0.715836840000000, 0.715836840000000, 0.326409130000000 ] mass: 6.941000 - symbol: O # 6 coordinates: [ 0.156657580000000, 0.156657580000000, 0.804672570000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.506074560000000, 0.506074560000000, 0.984223210000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.840360280000000, 0.840360280000000, 0.656013470000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.171933090000000, 0.171933090000000, 0.313126350000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.855715120000000, 0.855715120000000, 0.164490680000000 ] mass: 15.999400 - symbol: Bi # 11 coordinates: [ 0.006165300000000, 0.006165300000000, 0.984533930000000 ] mass: 208.980400 reciprocal_lattice: # without 2pi - [ 0.101740315983552, -0.236670256623121, 0.036210418743968 ] # a* - [ 0.101740315983552, 0.236670256623121, 0.036210418743968 ] # b* - [ -0.000323534616156, 0.000000000000000, 0.178071775455980 ] # c*unit_cell: lattice: - [ 9.822593560000000, 0.000000000000000, 0.017846450000000 ] # a - [ 0.000000000000000, 4.225288020000000, 0.000000000000000 ] # b - [ -1.997398100000000, 0.000000000000000, 5.612084060000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.796673280000000, 0.500000000000000, 0.642911760000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.506279690000000, 0.500000000000000, 0.484537060000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.694313640000000, 0.000000000000000, 0.844203860000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.817990630000000, 0.500000000000000, 0.124877980000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.715836840000000, 0.000000000000000, 0.326409130000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.296673280000000, 0.000000000000000, 0.642911760000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 7 coordinates: [ 0.006279690000000, 0.000000000000000, 0.484537060000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 8 coordinates: [ 0.194313640000000, 0.500000000000000, 0.844203860000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 9 coordinates: [ 0.317990630000000, 0.000000000000000, 0.124877980000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 10 coordinates: [ 0.215836840000000, 0.500000000000000, 0.326409130000000 ] mass: 6.941000 reduced_to: 5 - symbol: O # 11 coordinates: [ 0.656657580000000, 0.500000000000000, 0.804672570000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.506074560000000, 0.000000000000000, 0.984223210000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.840360280000000, 0.000000000000000, 0.656013470000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.671933090000000, 0.500000000000000, 0.313126350000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.855715120000000, 0.000000000000000, 0.164490680000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.156657580000000, 0.000000000000000, 0.804672570000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 17 coordinates: [ 0.006074560000000, 0.500000000000000, 0.984223210000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 18 coordinates: [ 0.340360280000000, 0.500000000000000, 0.656013470000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 19 coordinates: [ 0.171933090000000, 0.000000000000000, 0.313126350000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 20 coordinates: [ 0.355715120000000, 0.500000000000000, 0.164490680000000 ] mass: 15.999400 reduced_to: 15 - symbol: Bi # 21 coordinates: [ 0.506165300000000, 0.500000000000000, 0.984533930000000 ] mass: 208.980400 reduced_to: 21 - symbol: Bi # 22 coordinates: [ 0.006165300000000, 0.000000000000000, 0.984533930000000 ] mass: 208.980400 reduced_to: 21supercell: lattice: - [ 9.822593560000000, 0.000000000000000, 0.017846450000000 ] # a - [ 0.000000000000000, 12.675864059999999, 0.000000000000000 ] # b - [ -3.994796200000000, 0.000000000000000, 11.224168120000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.796673280000000, 0.166666666666667, 0.321455880000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.796673280000000, 0.500000000000000, 0.321455880000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 3 coordinates: [ 0.796673280000000, 0.833333333333333, 0.321455880000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 4 coordinates: [ 0.796673280000000, 0.166666666666667, 0.821455880000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 5 coordinates: [ 0.796673280000000, 0.500000000000000, 0.821455880000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 6 coordinates: [ 0.796673280000000, 0.833333333333333, 0.821455880000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 7 coordinates: [ 0.506279690000000, 0.166666666666667, 0.242268530000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.506279690000000, 0.500000000000000, 0.242268530000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 9 coordinates: [ 0.506279690000000, 0.833333333333333, 0.242268530000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 10 coordinates: [ 0.506279690000000, 0.166666666666667, 0.742268530000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 11 coordinates: [ 0.506279690000000, 0.500000000000000, 0.742268530000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 12 coordinates: [ 0.506279690000000, 0.833333333333333, 0.742268530000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 13 coordinates: [ 0.694313640000000, 0.000000000000000, 0.422101930000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.694313640000000, 0.333333333333333, 0.422101930000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 15 coordinates: [ 0.694313640000000, 0.666666666666667, 0.422101930000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 16 coordinates: [ 0.694313640000000, 0.000000000000000, 0.922101930000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 17 coordinates: [ 0.694313640000000, 0.333333333333333, 0.922101930000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 18 coordinates: [ 0.694313640000000, 0.666666666666667, 0.922101930000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 19 coordinates: [ 0.817990630000000, 0.166666666666667, 0.062438990000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 20 coordinates: [ 0.817990630000000, 0.500000000000000, 0.062438990000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 21 coordinates: [ 0.817990630000000, 0.833333333333333, 0.062438990000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 22 coordinates: [ 0.817990630000000, 0.166666666666667, 0.562438990000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 23 coordinates: [ 0.817990630000000, 0.500000000000000, 0.562438990000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 24 coordinates: [ 0.817990630000000, 0.833333333333333, 0.562438990000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 25 coordinates: [ 0.715836840000000, 0.000000000000000, 0.163204565000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 26 coordinates: [ 0.715836840000000, 0.333333333333333, 0.163204565000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 27 coordinates: [ 0.715836840000000, 0.666666666666667, 0.163204565000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 28 coordinates: [ 0.715836840000000, 0.000000000000000, 0.663204565000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 29 coordinates: [ 0.715836840000000, 0.333333333333333, 0.663204565000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 30 coordinates: [ 0.715836840000000, 0.666666666666667, 0.663204565000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 31 coordinates: [ 0.296673280000000, 0.000000000000000, 0.321455880000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 32 coordinates: [ 0.296673280000000, 0.333333333333333, 0.321455880000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 33 coordinates: [ 0.296673280000000, 0.666666666666667, 0.321455880000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 34 coordinates: [ 0.296673280000000, 0.000000000000000, 0.821455880000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 35 coordinates: [ 0.296673280000000, 0.333333333333333, 0.821455880000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 36 coordinates: [ 0.296673280000000, 0.666666666666667, 0.821455880000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 37 coordinates: [ 0.006279690000000, 0.000000000000000, 0.242268530000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 38 coordinates: [ 0.006279690000000, 0.333333333333333, 0.242268530000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 39 coordinates: [ 0.006279690000000, 0.666666666666667, 0.242268530000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 40 coordinates: [ 0.006279690000000, 0.000000000000000, 0.742268530000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 41 coordinates: [ 0.006279690000000, 0.333333333333333, 0.742268530000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 42 coordinates: [ 0.006279690000000, 0.666666666666667, 0.742268530000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 43 coordinates: [ 0.194313640000000, 0.166666666666667, 0.422101930000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 44 coordinates: [ 0.194313640000000, 0.500000000000000, 0.422101930000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 45 coordinates: [ 0.194313640000000, 0.833333333333333, 0.422101930000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 46 coordinates: [ 0.194313640000000, 0.166666666666667, 0.922101930000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 47 coordinates: [ 0.194313640000000, 0.500000000000000, 0.922101930000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 48 coordinates: [ 0.194313640000000, 0.833333333333333, 0.922101930000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 49 coordinates: [ 0.317990630000000, 0.000000000000000, 0.062438990000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 50 coordinates: [ 0.317990630000000, 0.333333333333333, 0.062438990000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 51 coordinates: [ 0.317990630000000, 0.666666666666667, 0.062438990000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 52 coordinates: [ 0.317990630000000, 0.000000000000000, 0.562438990000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 53 coordinates: [ 0.317990630000000, 0.333333333333333, 0.562438990000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 54 coordinates: [ 0.317990630000000, 0.666666666666667, 0.562438990000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 55 coordinates: [ 0.215836840000000, 0.166666666666667, 0.163204565000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 56 coordinates: [ 0.215836840000000, 0.500000000000000, 0.163204565000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 57 coordinates: [ 0.215836840000000, 0.833333333333333, 0.163204565000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 58 coordinates: [ 0.215836840000000, 0.166666666666667, 0.663204565000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 59 coordinates: [ 0.215836840000000, 0.500000000000000, 0.663204565000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 60 coordinates: [ 0.215836840000000, 0.833333333333333, 0.663204565000000 ] mass: 6.941000 reduced_to: 25 - symbol: O # 61 coordinates: [ 0.656657580000000, 0.166666666666667, 0.402336285000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.656657580000000, 0.500000000000000, 0.402336285000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.656657580000000, 0.833333333333333, 0.402336285000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.656657580000000, 0.166666666666667, 0.902336285000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.656657580000000, 0.500000000000000, 0.902336285000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 66 coordinates: [ 0.656657580000000, 0.833333333333333, 0.902336285000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 67 coordinates: [ 0.506074560000000, 0.000000000000000, 0.492111605000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.506074560000000, 0.333333333333333, 0.492111605000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.506074560000000, 0.666666666666667, 0.492111605000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 70 coordinates: [ 0.506074560000000, 0.000000000000000, 0.992111605000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 71 coordinates: [ 0.506074560000000, 0.333333333333333, 0.992111605000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 72 coordinates: [ 0.506074560000000, 0.666666666666667, 0.992111605000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 73 coordinates: [ 0.840360280000000, 0.000000000000000, 0.328006735000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.840360280000000, 0.333333333333333, 0.328006735000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.840360280000000, 0.666666666666667, 0.328006735000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.840360280000000, 0.000000000000000, 0.828006735000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.840360280000000, 0.333333333333333, 0.828006735000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 78 coordinates: [ 0.840360280000000, 0.666666666666667, 0.828006735000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 79 coordinates: [ 0.671933090000000, 0.166666666666667, 0.156563175000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.671933090000000, 0.500000000000000, 0.156563175000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.671933090000000, 0.833333333333333, 0.156563175000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 82 coordinates: [ 0.671933090000000, 0.166666666666667, 0.656563175000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 83 coordinates: [ 0.671933090000000, 0.500000000000000, 0.656563175000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 84 coordinates: [ 0.671933090000000, 0.833333333333333, 0.656563175000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 85 coordinates: [ 0.855715120000000, 0.000000000000000, 0.082245340000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.855715120000000, 0.333333333333333, 0.082245340000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.855715120000000, 0.666666666666667, 0.082245340000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.855715120000000, 0.000000000000000, 0.582245340000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.855715120000000, 0.333333333333333, 0.582245340000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 90 coordinates: [ 0.855715120000000, 0.666666666666667, 0.582245340000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 91 coordinates: [ 0.156657580000000, 0.000000000000000, 0.402336285000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 92 coordinates: [ 0.156657580000000, 0.333333333333333, 0.402336285000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 93 coordinates: [ 0.156657580000000, 0.666666666666667, 0.402336285000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 94 coordinates: [ 0.156657580000000, 0.000000000000000, 0.902336285000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 95 coordinates: [ 0.156657580000000, 0.333333333333333, 0.902336285000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 96 coordinates: [ 0.156657580000000, 0.666666666666667, 0.902336285000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 97 coordinates: [ 0.006074560000000, 0.166666666666667, 0.492111605000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 98 coordinates: [ 0.006074560000000, 0.500000000000000, 0.492111605000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 99 coordinates: [ 0.006074560000000, 0.833333333333333, 0.492111605000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 100 coordinates: [ 0.006074560000000, 0.166666666666667, 0.992111605000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 101 coordinates: [ 0.006074560000000, 0.500000000000000, 0.992111605000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 102 coordinates: [ 0.006074560000000, 0.833333333333333, 0.992111605000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 103 coordinates: [ 0.340360280000000, 0.166666666666667, 0.328006735000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 104 coordinates: [ 0.340360280000000, 0.500000000000000, 0.328006735000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 105 coordinates: [ 0.340360280000000, 0.833333333333333, 0.328006735000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 106 coordinates: [ 0.340360280000000, 0.166666666666667, 0.828006735000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 107 coordinates: [ 0.340360280000000, 0.500000000000000, 0.828006735000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 108 coordinates: [ 0.340360280000000, 0.833333333333333, 0.828006735000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 109 coordinates: [ 0.171933090000000, 0.000000000000000, 0.156563175000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 110 coordinates: [ 0.171933090000000, 0.333333333333333, 0.156563175000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 111 coordinates: [ 0.171933090000000, 0.666666666666667, 0.156563175000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 112 coordinates: [ 0.171933090000000, 0.000000000000000, 0.656563175000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 113 coordinates: [ 0.171933090000000, 0.333333333333333, 0.656563175000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 114 coordinates: [ 0.171933090000000, 0.666666666666667, 0.656563175000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 115 coordinates: [ 0.355715120000000, 0.166666666666667, 0.082245340000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 116 coordinates: [ 0.355715120000000, 0.500000000000000, 0.082245340000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 117 coordinates: [ 0.355715120000000, 0.833333333333333, 0.082245340000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 118 coordinates: [ 0.355715120000000, 0.166666666666667, 0.582245340000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 119 coordinates: [ 0.355715120000000, 0.500000000000000, 0.582245340000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 120 coordinates: [ 0.355715120000000, 0.833333333333333, 0.582245340000000 ] mass: 15.999400 reduced_to: 85 - symbol: Bi # 121 coordinates: [ 0.506165300000000, 0.166666666666667, 0.492266965000000 ] mass: 208.980400 reduced_to: 121 - symbol: Bi # 122 coordinates: [ 0.506165300000000, 0.500000000000000, 0.492266965000000 ] mass: 208.980400 reduced_to: 121 - symbol: Bi # 123 coordinates: [ 0.506165300000000, 0.833333333333333, 0.492266965000000 ] mass: 208.980400 reduced_to: 121 - symbol: Bi # 124 coordinates: [ 0.506165300000000, 0.166666666666667, 0.992266965000000 ] mass: 208.980400 reduced_to: 121 - symbol: Bi # 125 coordinates: [ 0.506165300000000, 0.500000000000000, 0.992266965000000 ] mass: 208.980400 reduced_to: 121 - symbol: Bi # 126 coordinates: [ 0.506165300000000, 0.833333333333333, 0.992266965000000 ] mass: 208.980400 reduced_to: 121 - symbol: Bi # 127 coordinates: [ 0.006165300000000, 0.000000000000000, 0.492266965000000 ] mass: 208.980400 reduced_to: 121 - symbol: Bi # 128 coordinates: [ 0.006165300000000, 0.333333333333333, 0.492266965000000 ] mass: 208.980400 reduced_to: 121 - symbol: Bi # 129 coordinates: [ 0.006165300000000, 0.666666666666667, 0.492266965000000 ] mass: 208.980400 reduced_to: 121 - symbol: Bi # 130 coordinates: [ 0.006165300000000, 0.000000000000000, 0.992266965000000 ] mass: 208.980400 reduced_to: 121 - symbol: Bi # 131 coordinates: [ 0.006165300000000, 0.333333333333333, 0.992266965000000 ] mass: 208.980400 reduced_to: 121 - symbol: Bi # 132 coordinates: [ 0.006165300000000, 0.666666666666667, 0.992266965000000 ] mass: 208.980400 reduced_to: 121born_effective_charge:- # 1 (Li) - [ 1.081634280000000, 0.000000000000000, 0.043146390000000 ] - [ -0.000000000000000, 0.996023020000000, -0.000000000000000 ] - [ 0.049464200000000, 0.000000000000000, 1.340533270000000 ]- # 2 (Li) - [ 0.976426460000000, -0.000000000000000, -0.237252220000000 ] - [ -0.000000000000000, 0.647980630000000, 0.000000000000000 ] - [ -0.145534550000000, 0.000000000000000, 1.423886710000000 ]- # 3 (Li) - [ 1.164381280000000, 0.000000000000000, 0.031558180000000 ] - [ -0.000000000000000, 1.094019300000000, -0.000000000000000 ] - [ -0.048673950000000, -0.000000000000000, 0.693633140000000 ]- # 4 (Li) - [ 1.164214770000000, 0.000000000000000, 0.031547370000000 ] - [ -0.000000000000000, 1.093953010000000, -0.000000000000000 ] - [ -0.048444950000000, -0.000000000000000, 0.693764680000000 ]- # 5 (Li) - [ 1.081166260000000, 0.000000000000000, 0.042597720000000 ] - [ -0.000000000000000, 0.995952320000000, -0.000000000000000 ] - [ 0.048361200000000, 0.000000000000000, 1.340394400000000 ]- # 6 (O) - [ -2.242042940000000, 0.000000000000000, 0.276389430000000 ] - [ 0.000000000000000, -1.599015540000000, -0.000000000000000 ] - [ 0.336818490000000, 0.000000000000000, -1.615200190000000 ]- # 7 (O) - [ -1.502082380000000, 0.000000000000000, -0.161235700000000 ] - [ -0.000000000000000, -4.141172130000000, 0.000000000000000 ] - [ -0.080700820000000, 0.000000000000000, -1.068263100000000 ]- # 8 (O) - [ -1.769004640000000, -0.000000000000000, -0.292864540000000 ] - [ 0.000000000000000, -1.634191650000000, 0.000000000000000 ] - [ -0.298868580000000, -0.000000000000000, -2.378879310000000 ]- # 9 (O) - [ -1.768491620000000, -0.000000000000000, -0.292427110000000 ] - [ 0.000000000000000, -1.632913210000000, 0.000000000000000 ] - [ -0.299384230000000, -0.000000000000000, -2.378256850000000 ]- # 10 (O) - [ -2.242078180000000, 0.000000000000000, 0.276667140000000 ] - [ 0.000000000000000, -1.598699370000000, -0.000000000000000 ] - [ 0.337084100000000, 0.000000000000000, -1.615475690000000 ]- # 11 (Bi) - [ 4.055876700000000, 0.000000000000000, 0.281873330000000 ] - [ 0.000000000000000, 5.778063610000000, -0.000000000000000 ] - [ 0.149879090000000, -0.000000000000000, 3.563862940000000 ]dielectric_constant: - [ 3.848626130000000, 0.000000000000000, 0.003128400000000 ] - [ 0.000000000000000, 4.202044880000000, 0.000000000000000 ] - [ 0.003136240000000, 0.000000000000000, 3.871607430000000 ]displacements:- atom: 1 displacement: [ 0.0099999834948202, 0.0000000000000000, 0.0000181687457952 ] forces: - [ -0.0409767600000000, 0.0000000000000000, 0.0049573100000000 ] - [ -0.0003623200000000, 0.0004768300000000, -0.0000608700000000 ] - [ -0.0003623200000000, -0.0004768300000000, -0.0000608700000000 ] - [ -0.0005400400000000, 0.0000000000000000, -0.0005026300000000 ] - [ -0.0001163600000000, 0.0000206100000000, -0.0000466800000000 ] - [ -0.0001163600000000, -0.0000206100000000, -0.0000466800000000 ] - [ 0.0059169800000000, 0.0000000000000000, 0.0034627900000000 ] - [ -0.0005063200000000, -0.0001652400000000, 0.0000662900000000 ] - [ -0.0005063200000000, 0.0001652400000000, 0.0000662900000000 ] - [ 0.0000350300000000, 0.0000000000000000, -0.0000670900000000 ] - [ -0.0004022900000000, -0.0000564500000000, -0.0000653300000000 ] - [ -0.0004022900000000, 0.0000564500000000, -0.0000653300000000 ] - [ -0.0002283400000000, 0.0037694200000000, -0.0015548200000000 ] - [ -0.0002283400000000, -0.0037694200000000, -0.0015548200000000 ] - [ 0.0001558600000000, 0.0000000000000000, -0.0000291500000000 ] - [ 0.0000265500000000, 0.0002555700000000, -0.0001730900000000 ] - [ 0.0000265500000000, -0.0002555700000000, -0.0001730900000000 ] - [ 0.0002647500000000, 0.0000000000000000, -0.0000404200000000 ] - [ -0.0007652800000000, 0.0000000000000000, -0.0023495600000000 ] - [ -0.0001264800000000, 0.0001644900000000, -0.0000628600000000 ] - [ -0.0001264800000000, -0.0001644900000000, -0.0000628600000000 ] - [ -0.0025962300000000, 0.0000000000000000, -0.0018954800000000 ] - [ -0.0003096500000000, 0.0001008700000000, 0.0000553200000000 ] - [ -0.0003096500000000, -0.0001008700000000, 0.0000553200000000 ] - [ -0.0021027500000000, 0.0006090100000000, -0.0007982300000000 ] - [ -0.0021027500000000, -0.0006090100000000, -0.0007982300000000 ] - [ -0.0003370900000000, 0.0000000000000000, -0.0005483900000000 ] - [ -0.0008163000000000, 0.0004963200000000, -0.0007253400000000 ] - [ -0.0008163000000000, -0.0004963200000000, -0.0007253400000000 ] - [ -0.0003977900000000, 0.0000000000000000, -0.0004670800000000 ] - [ 0.0008275600000000, 0.0004261700000000, 0.0000666300000000 ] - [ 0.0008275600000000, -0.0004261700000000, 0.0000666300000000 ] - [ 0.0000537300000000, 0.0000000000000000, 0.0000164400000000 ] - [ 0.0001309900000000, 0.0000749100000000, 0.0003773900000000 ] - [ 0.0001309900000000, -0.0000749100000000, 0.0003773900000000 ] - [ -0.0000256900000000, 0.0000000000000000, 0.0000938500000000 ] - [ 0.0011108200000000, -0.0022116800000000, -0.0009628800000000 ] - [ 0.0011108200000000, 0.0022116800000000, -0.0009628800000000 ] - [ -0.0004001400000000, 0.0000000000000000, -0.0000790200000000 ] - [ -0.0006142500000000, -0.0001097600000000, 0.0002713100000000 ] - [ -0.0006142500000000, 0.0001097600000000, 0.0002713100000000 ] - [ -0.0004835300000000, 0.0000000000000000, 0.0000715600000000 ] - [ 0.0029564100000000, 0.0000000000000000, 0.0004820600000000 ] - [ 0.0005601800000000, 0.0003194200000000, 0.0000592600000000 ] - [ 0.0005601800000000, -0.0003194200000000, 0.0000592600000000 ] - [ 0.0005011300000000, 0.0000000000000000, 0.0001907700000000 ] - [ 0.0003293800000000, 0.0000043900000000, 0.0000375400000000 ] - [ 0.0003293800000000, -0.0000043900000000, 0.0000375400000000 ] - [ 0.0002041200000000, 0.0002115700000000, 0.0001711000000000 ] - [ 0.0002041200000000, -0.0002115700000000, 0.0001711000000000 ] - [ -0.0000434300000000, 0.0000000000000000, 0.0000533100000000 ] - [ 0.0006920600000000, 0.0000486500000000, 0.0002114800000000 ] - [ 0.0006920600000000, -0.0000486500000000, 0.0002114800000000 ] - [ 0.0000531500000000, 0.0000000000000000, 0.0000772000000000 ] - [ 0.0004483700000000, 0.0000000000000000, -0.0000048600000000 ] - [ -0.0001667800000000, 0.0000618800000000, -0.0004322400000000 ] - [ -0.0001667800000000, -0.0000618800000000, -0.0004322400000000 ] - [ 0.0007604800000000, 0.0000000000000000, 0.0003699600000000 ] - [ -0.0000840700000000, 0.0001772200000000, -0.0003943100000000 ] - [ -0.0000840700000000, -0.0001772200000000, -0.0003943100000000 ] - [ 0.0119623400000000, 0.0000000000000000, -0.0045399100000000 ] - [ -0.0003809300000000, 0.0002715900000000, 0.0001298800000000 ] - [ -0.0003809300000000, -0.0002715900000000, 0.0001298800000000 ] - [ -0.0005691200000000, 0.0000000000000000, -0.0003745900000000 ] - [ -0.0009862300000000, 0.0000634600000000, 0.0004072200000000 ] - [ -0.0009862300000000, -0.0000634600000000, 0.0004072200000000 ] - [ -0.0009222900000000, -0.0032795600000000, 0.0013560200000000 ] - [ -0.0009222900000000, 0.0032795600000000, 0.0013560200000000 ] - [ 0.0001768200000000, 0.0000000000000000, 0.0007690400000000 ] - [ 0.0000667700000000, -0.0010938200000000, 0.0004718900000000 ] - [ 0.0000667700000000, 0.0010938200000000, 0.0004718900000000 ] - [ 0.0002044900000000, 0.0000000000000000, 0.0007971500000000 ] - [ 0.0063349400000000, 0.0024775800000000, -0.0002202300000000 ] - [ 0.0063349400000000, -0.0024775800000000, -0.0002202300000000 ] - [ 0.0008668900000000, 0.0000000000000000, 0.0005692100000000 ] - [ 0.0009561100000000, -0.0001971400000000, 0.0008335500000000 ] - [ 0.0009561100000000, 0.0001971400000000, 0.0008335500000000 ] - [ 0.0007578800000000, 0.0000000000000000, 0.0005161000000000 ] - [ 0.0048837400000000, 0.0000000000000000, 0.0034649300000000 ] - [ 0.0001959600000000, 0.0000088400000000, 0.0001036900000000 ] - [ 0.0001959600000000, -0.0000088400000000, 0.0001036900000000 ] - [ -0.0001005900000000, 0.0000000000000000, 0.0029251200000000 ] - [ 0.0001221600000000, 0.0002328300000000, -0.0000302500000000 ] - [ 0.0001221600000000, -0.0002328300000000, -0.0000302500000000 ] - [ 0.0010191400000000, 0.0005416100000000, 0.0007160700000000 ] - [ 0.0010191400000000, -0.0005416100000000, 0.0007160700000000 ] - [ 0.0010918400000000, 0.0000000000000000, -0.0004249600000000 ] - [ 0.0030271000000000, -0.0000902200000000, -0.0007760400000000 ] - [ 0.0030271000000000, 0.0000902200000000, -0.0007760400000000 ] - [ 0.0014212100000000, 0.0000000000000000, -0.0006082800000000 ] - [ -0.0026072200000000, 0.0012310200000000, -0.0001006200000000 ] - [ -0.0026072200000000, -0.0012310200000000, -0.0001006200000000 ] - [ -0.0013548900000000, 0.0000000000000000, 0.0003492500000000 ] - [ -0.0011185200000000, -0.0000277200000000, 0.0001198600000000 ] - [ -0.0011185200000000, 0.0000277200000000, 0.0001198600000000 ] - [ -0.0010897900000000, 0.0000000000000000, 0.0002437500000000 ] - [ -0.0000336000000000, 0.0000000000000000, -0.0063856400000000 ] - [ 0.0001550500000000, -0.0009053300000000, 0.0005309200000000 ] - [ 0.0001550500000000, 0.0009053300000000, 0.0005309200000000 ] - [ -0.0000078300000000, 0.0000000000000000, 0.0010754400000000 ] - [ 0.0001018000000000, -0.0001089700000000, 0.0008539400000000 ] - [ 0.0001018000000000, 0.0001089700000000, 0.0008539400000000 ] - [ -0.0028856100000000, 0.0000000000000000, -0.0008615100000000 ] - [ 0.0002649800000000, 0.0001959600000000, 0.0001957000000000 ] - [ 0.0002649800000000, -0.0001959600000000, 0.0001957000000000 ] - [ 0.0002706900000000, 0.0000000000000000, -0.0000134000000000 ] - [ 0.0005029600000000, 0.0000627600000000, 0.0001818300000000 ] - [ 0.0005029600000000, -0.0000627600000000, 0.0001818300000000 ] - [ -0.0008106100000000, -0.0000564800000000, -0.0002654700000000 ] - [ -0.0008106100000000, 0.0000564800000000, -0.0002654700000000 ] - [ -0.0002819600000000, 0.0000000000000000, -0.0003077300000000 ] - [ -0.0006275700000000, 0.0007843600000000, -0.0011069000000000 ] - [ -0.0006275700000000, -0.0007843600000000, -0.0011069000000000 ] - [ -0.0003754700000000, 0.0000000000000000, -0.0004830100000000 ] - [ 0.0007157800000000, 0.0000000000000000, -0.0014538200000000 ] - [ 0.0010780100000000, 0.0001526500000000, -0.0005637800000000 ] - [ 0.0010780100000000, -0.0001526500000000, -0.0005637800000000 ] - [ -0.0000677300000000, 0.0000000000000000, -0.0006550700000000 ] - [ 0.0004821900000000, 0.0001752300000000, -0.0004298900000000 ] - [ 0.0004821900000000, -0.0001752300000000, -0.0004298900000000 ] - [ 0.0080554000000000, 0.0000000000000000, -0.0042342700000000 ] - [ -0.0001486400000000, -0.0019612500000000, -0.0002525900000000 ] - [ -0.0001486400000000, 0.0019612500000000, -0.0002525900000000 ] - [ 0.0015261300000000, 0.0000000000000000, 0.0018912200000000 ] - [ -0.0003121400000000, -0.0007500200000000, -0.0003590600000000 ] - [ -0.0003121400000000, 0.0007500200000000, -0.0003590600000000 ] - [ 0.0003649500000000, -0.0087313700000000, 0.0053602800000000 ] - [ 0.0003649500000000, 0.0087313700000000, 0.0053602800000000 ] - [ -0.0001786800000000, 0.0000000000000000, -0.0002463400000000 ] - [ 0.0004738300000000, -0.0001591000000000, -0.0009238400000000 ] - [ 0.0004738300000000, 0.0001591000000000, -0.0009238400000000 ] - [ -0.0001229400000000, 0.0000000000000000, -0.0003479500000000 ]- atom: 1 displacement: [ -0.0099999834948202, 0.0000000000000000, -0.0000181687457952 ] forces: - [ 0.0419425200000000, 0.0000000000000000, -0.0054116600000000 ] - [ 0.0002449900000000, -0.0004787700000000, 0.0001348500000000 ] - [ 0.0002449900000000, 0.0004787700000000, 0.0001348500000000 ] - [ 0.0004168200000000, 0.0000000000000000, 0.0005758000000000 ] - [ -0.0000040600000000, -0.0000215700000000, 0.0001215200000000 ] - [ -0.0000040600000000, 0.0000215700000000, 0.0001215200000000 ] - [ -0.0069350900000000, 0.0000000000000000, -0.0035334800000000 ] - [ -0.0003851600000000, 0.0001668100000000, -0.0000675800000000 ] - [ -0.0003851600000000, -0.0001668100000000, -0.0000675800000000 ] - [ -0.0009253500000000, 0.0000000000000000, 0.0000706200000000 ] - [ -0.0004901100000000, 0.0000562600000000, 0.0000659000000000 ] - [ -0.0004901100000000, -0.0000562600000000, 0.0000659000000000 ] - [ 0.0007999100000000, -0.0037953900000000, 0.0015565100000000 ] - [ 0.0007999100000000, 0.0037953900000000, 0.0015565100000000 ] - [ 0.0004018200000000, 0.0000000000000000, 0.0000151800000000 ] - [ 0.0005288700000000, -0.0002526300000000, 0.0001595100000000 ] - [ 0.0005288700000000, 0.0002526300000000, 0.0001595100000000 ] - [ 0.0002888200000000, 0.0000000000000000, 0.0000274400000000 ] - [ 0.0006431000000000, 0.0000000000000000, 0.0023915300000000 ] - [ 0.0000129300000000, -0.0001638200000000, 0.0001216100000000 ] - [ 0.0000129300000000, 0.0001638200000000, 0.0001216100000000 ] - [ 0.0025039600000000, 0.0000000000000000, 0.0019437700000000 ] - [ 0.0001967800000000, -0.0001006100000000, -0.0000009900000000 ] - [ 0.0001967800000000, 0.0001006100000000, -0.0000009900000000 ] - [ 0.0015204500000000, -0.0005903900000000, -0.0001518700000000 ] - [ 0.0015204500000000, 0.0005903900000000, -0.0001518700000000 ] - [ -0.0002490200000000, 0.0000000000000000, -0.0004169200000000 ] - [ 0.0002310200000000, -0.0004960700000000, -0.0002380200000000 ] - [ 0.0002310200000000, 0.0004960700000000, -0.0002380200000000 ] - [ -0.0001912100000000, 0.0000000000000000, -0.0005000100000000 ] - [ -0.0009466200000000, -0.0004280000000000, 0.0000069400000000 ] - [ -0.0009466200000000, 0.0004280000000000, 0.0000069400000000 ] - [ -0.0001730300000000, 0.0000000000000000, 0.0000548100000000 ] - [ -0.0002513900000000, -0.0000739400000000, -0.0003026600000000 ] - [ -0.0002513900000000, 0.0000739400000000, -0.0003026600000000 ] - [ -0.0000936200000000, 0.0000000000000000, -0.0000185000000000 ] - [ -0.0019953100000000, 0.0021813200000000, 0.0009545400000000 ] - [ -0.0019953100000000, -0.0021813200000000, 0.0009545400000000 ] - [ -0.0004910600000000, 0.0000000000000000, 0.0000784900000000 ] - [ -0.0002784700000000, 0.0001095300000000, -0.0002718800000000 ] - [ -0.0002784700000000, -0.0001095300000000, -0.0002718800000000 ] - [ -0.0004085300000000, 0.0000000000000000, -0.0000738500000000 ] - [ -0.0023792800000000, 0.0000000000000000, -0.0004822500000000 ] - [ -0.0000030800000000, -0.0003167200000000, -0.0000742800000000 ] - [ -0.0000030800000000, 0.0003167200000000, -0.0000742800000000 ] - [ 0.0000578900000000, 0.0000000000000000, -0.0002029100000000 ] - [ 0.0002276400000000, -0.0000038400000000, -0.0000510400000000 ] - [ 0.0002276400000000, 0.0000038400000000, -0.0000510400000000 ] - [ -0.0003144600000000, -0.0002112900000000, -0.0001146500000000 ] - [ -0.0003144600000000, 0.0002112900000000, -0.0001146500000000 ] - [ -0.0000683900000000, 0.0000000000000000, 0.0000034900000000 ] - [ -0.0008045200000000, -0.0000482200000000, -0.0001497500000000 ] - [ -0.0008045200000000, 0.0000482200000000, -0.0001497500000000 ] - [ -0.0001666400000000, 0.0000000000000000, -0.0000196500000000 ] - [ -0.0010343800000000, 0.0000000000000000, -0.0009650500000000 ] - [ -0.0004168700000000, -0.0000600200000000, -0.0005326400000000 ] - [ -0.0004168700000000, 0.0000600200000000, -0.0005326400000000 ] - [ -0.0013464600000000, 0.0000000000000000, -0.0013343400000000 ] - [ -0.0005047700000000, -0.0001770400000000, -0.0005704300000000 ] - [ -0.0005047700000000, 0.0001770400000000, -0.0005704300000000 ] - [ -0.0151484700000000, 0.0000000000000000, 0.0057220200000000 ] - [ -0.0017634700000000, -0.0002755600000000, 0.0004542200000000 ] - [ -0.0017634700000000, 0.0002755600000000, 0.0004542200000000 ] - [ -0.0015607400000000, 0.0000000000000000, 0.0009455200000000 ] - [ -0.0011484200000000, -0.0000634700000000, 0.0001722000000000 ] - [ -0.0011484200000000, 0.0000634700000000, 0.0001722000000000 ] - [ 0.0012879300000000, 0.0032798800000000, 0.0001989900000000 ] - [ 0.0012879300000000, -0.0032798800000000, 0.0001989900000000 ] - [ 0.0001817900000000, 0.0000000000000000, 0.0007953100000000 ] - [ 0.0002906200000000, 0.0010771600000000, 0.0010864300000000 ] - [ 0.0002906200000000, -0.0010771600000000, 0.0010864300000000 ] - [ 0.0001567900000000, 0.0000000000000000, 0.0007627400000000 ] - [ -0.0049779000000000, -0.0024985900000000, 0.0010793000000000 ] - [ -0.0049779000000000, 0.0024985900000000, 0.0010793000000000 ] - [ 0.0004678500000000, 0.0000000000000000, 0.0002800400000000 ] - [ 0.0003777700000000, 0.0001942400000000, 0.0000158500000000 ] - [ 0.0003777700000000, -0.0001942400000000, 0.0000158500000000 ] - [ 0.0005764600000000, 0.0000000000000000, 0.0003321100000000 ] - [ -0.0052146900000000, 0.0000000000000000, -0.0039880600000000 ] - [ -0.0005178800000000, -0.0000068900000000, -0.0006078300000000 ] - [ -0.0005178800000000, 0.0000068900000000, -0.0006078300000000 ] - [ -0.0002150500000000, 0.0000000000000000, -0.0034338400000000 ] - [ -0.0004419400000000, -0.0002340900000000, -0.0004707500000000 ] - [ -0.0004419400000000, 0.0002340900000000, -0.0004707500000000 ] - [ 0.0012141700000000, -0.0005353400000000, -0.0017331200000000 ] - [ 0.0012141700000000, 0.0005353400000000, -0.0017331200000000 ] - [ 0.0011372800000000, 0.0000000000000000, -0.0005982900000000 ] - [ -0.0008051400000000, 0.0000953500000000, -0.0002447800000000 ] - [ -0.0008051400000000, -0.0000953500000000, -0.0002447800000000 ] - [ 0.0008100700000000, 0.0000000000000000, -0.0004136900000000 ] - [ 0.0004690600000000, -0.0012170100000000, 0.0006692400000000 ] - [ 0.0004690600000000, 0.0012170100000000, 0.0006692400000000 ] - [ -0.0007886300000000, 0.0000000000000000, 0.0002376000000000 ] - [ -0.0010241200000000, 0.0000282200000000, 0.0004628300000000 ] - [ -0.0010241200000000, -0.0000282200000000, 0.0004628300000000 ] - [ -0.0010535900000000, 0.0000000000000000, 0.0003353000000000 ] - [ 0.0004723200000000, 0.0000000000000000, 0.0079566300000000 ] - [ 0.0002071600000000, 0.0009089400000000, 0.0010341000000000 ] - [ 0.0002071600000000, -0.0009089400000000, 0.0010341000000000 ] - [ 0.0003666900000000, 0.0000000000000000, 0.0004899400000000 ] - [ 0.0002561600000000, 0.0001066900000000, 0.0007073100000000 ] - [ 0.0002561600000000, -0.0001066900000000, 0.0007073100000000 ] - [ 0.0042188200000000, 0.0000000000000000, 0.0016972800000000 ] - [ 0.0010675900000000, -0.0002011900000000, 0.0006523200000000 ] - [ 0.0010675900000000, 0.0002011900000000, 0.0006523200000000 ] - [ 0.0010633200000000, 0.0000000000000000, 0.0008627300000000 ] - [ 0.0008310200000000, -0.0000615300000000, 0.0006643000000000 ] - [ 0.0008310200000000, 0.0000615300000000, 0.0006643000000000 ] - [ 0.0004866500000000, 0.0000563300000000, -0.0002336000000000 ] - [ 0.0004866500000000, -0.0000563300000000, -0.0002336000000000 ] - [ -0.0000436500000000, 0.0000000000000000, -0.0001987800000000 ] - [ 0.0003041000000000, -0.0007833300000000, 0.0006006500000000 ] - [ 0.0003041000000000, 0.0007833300000000, 0.0006006500000000 ] - [ 0.0000573400000000, 0.0000000000000000, -0.0000178000000000 ] - [ 0.0014995600000000, 0.0000000000000000, 0.0004421400000000 ] - [ 0.0011490400000000, -0.0001549500000000, -0.0004573300000000 ] - [ 0.0011490400000000, 0.0001549500000000, -0.0004573300000000 ] - [ 0.0023023900000000, 0.0000000000000000, -0.0003724000000000 ] - [ 0.0017492800000000, -0.0001732100000000, -0.0005963000000000 ] - [ 0.0017492800000000, 0.0001732100000000, -0.0005963000000000 ] - [ -0.0084134200000000, 0.0000000000000000, 0.0036457100000000 ] - [ -0.0001587100000000, 0.0019680600000000, -0.0003705000000000 ] - [ -0.0001587100000000, -0.0019680600000000, -0.0003705000000000 ] - [ -0.0018231300000000, 0.0000000000000000, -0.0025083900000000 ] - [ 0.0000016700000000, 0.0007422200000000, -0.0002615300000000 ] - [ 0.0000016700000000, -0.0007422200000000, -0.0002615300000000 ] - [ -0.0007108700000000, 0.0087032500000000, -0.0059746300000000 ] - [ -0.0007108700000000, -0.0087032500000000, -0.0059746300000000 ] - [ -0.0001289000000000, 0.0000000000000000, -0.0003799900000000 ] - [ -0.0007780200000000, 0.0001598300000000, 0.0002955500000000 ] - [ -0.0007780200000000, -0.0001598300000000, 0.0002955500000000 ] - [ -0.0001803200000000, 0.0000000000000000, -0.0002734100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002131700000000, -0.0248068800000000, -0.0000513500000000 ] - [ -0.0005304700000000, 0.0015760800000000, -0.0001913200000000 ] - [ 0.0004284500000000, 0.0015682400000000, 0.0002481200000000 ] - [ -0.0000524600000000, -0.0003028400000000, 0.0000276600000000 ] - [ -0.0000752700000000, 0.0001428700000000, 0.0000690000000000 ] - [ -0.0000318800000000, 0.0001467800000000, -0.0000093800000000 ] - [ -0.0004336600000000, -0.0018921700000000, 0.0000019300000000 ] - [ -0.0006699800000000, 0.0002454700000000, -0.0001352200000000 ] - [ -0.0002235600000000, 0.0002451200000000, 0.0001321900000000 ] - [ -0.0004440800000000, -0.0000941300000000, 0.0000007700000000 ] - [ -0.0004992700000000, 0.0000444300000000, 0.0000360700000000 ] - [ -0.0003931500000000, 0.0000450000000000, -0.0000378300000000 ] - [ 0.0040884200000000, 0.0027934100000000, -0.0027135300000000 ] - [ -0.0035716800000000, 0.0028303400000000, 0.0027375200000000 ] - [ 0.0002815500000000, 0.0004466200000000, -0.0000129000000000 ] - [ 0.0004498800000000, -0.0000845300000000, 0.0001312000000000 ] - [ 0.0001105800000000, -0.0000895300000000, -0.0001572700000000 ] - [ 0.0002815000000000, 0.0001570300000000, -0.0000112900000000 ] - [ -0.0000615800000000, -0.0009730500000000, 0.0000411400000000 ] - [ -0.0000306000000000, 0.0003350600000000, -0.0002435700000000 ] - [ -0.0000859400000000, 0.0003355700000000, 0.0003170100000000 ] - [ -0.0000593100000000, -0.0019013900000000, 0.0000232500000000 ] - [ -0.0003290000000000, 0.0005604600000000, 0.0002799200000000 ] - [ 0.0002133600000000, 0.0005615400000000, -0.0002080200000000 ] - [ 0.0002847300000000, 0.0029947300000000, 0.0041499300000000 ] - [ -0.0008960200000000, 0.0030279700000000, -0.0051655300000000 ] - [ -0.0003026800000000, 0.0003523100000000, -0.0004721700000000 ] - [ 0.0001953100000000, -0.0000863800000000, -0.0006625300000000 ] - [ -0.0007998700000000, -0.0000927300000000, -0.0002883500000000 ] - [ -0.0003029700000000, 0.0001845100000000, -0.0004753500000000 ] - [ -0.0004773000000000, -0.0000902000000000, 0.0002356000000000 ] - [ 0.0003719200000000, -0.0000955700000000, -0.0001799300000000 ] - [ -0.0000485200000000, 0.0002014200000000, 0.0000301700000000 ] - [ -0.0001211700000000, -0.0000143300000000, -0.0000933300000000 ] - [ 0.0000225600000000, -0.0000171000000000, 0.0001542000000000 ] - [ -0.0000546700000000, 0.0000491600000000, 0.0000288100000000 ] - [ -0.0026372300000000, 0.0005831900000000, 0.0011882900000000 ] - [ 0.0017648500000000, 0.0005831200000000, -0.0011953900000000 ] - [ -0.0004467400000000, 0.0003541100000000, -0.0000005100000000 ] - [ -0.0006431600000000, -0.0000894600000000, -0.0003919400000000 ] - [ -0.0002504100000000, -0.0000904300000000, 0.0003912800000000 ] - [ -0.0004426000000000, 0.0001652800000000, 0.0000030900000000 ] - [ 0.0002793400000000, -0.0010995800000000, -0.0000145500000000 ] - [ 0.0006467200000000, 0.0005163500000000, 0.0000738900000000 ] - [ -0.0000865900000000, 0.0005179600000000, -0.0001015900000000 ] - [ 0.0002814000000000, -0.0001672100000000, -0.0000118400000000 ] - [ 0.0003209500000000, 0.0000846100000000, -0.0000326800000000 ] - [ 0.0002426500000000, 0.0000833200000000, 0.0000101500000000 ] - [ -0.0001065000000000, -0.0000717300000000, 0.0001181600000000 ] - [ -0.0000124900000000, -0.0000732200000000, -0.0000447900000000 ] - [ -0.0000569700000000, 0.0001562900000000, 0.0000340400000000 ] - [ -0.0002711600000000, -0.0000950100000000, -0.0003341600000000 ] - [ 0.0001561600000000, -0.0000959900000000, 0.0004019900000000 ] - [ -0.0000572600000000, 0.0001926900000000, 0.0000353700000000 ] - [ -0.0003053000000000, -0.0003298400000000, -0.0004717400000000 ] - [ -0.0002383100000000, 0.0001555500000000, -0.0005405400000000 ] - [ -0.0003632700000000, 0.0001594600000000, -0.0004120400000000 ] - [ -0.0003031600000000, -0.0003159400000000, -0.0004736200000000 ] - [ -0.0001246600000000, 0.0001643400000000, -0.0002169200000000 ] - [ -0.0004772900000000, 0.0001625000000000, -0.0007313500000000 ] - [ -0.0010131200000000, 0.0041624700000000, 0.0002650500000000 ] - [ -0.0000221100000000, -0.0009473500000000, -0.0001469900000000 ] - [ -0.0021151900000000, -0.0009351700000000, 0.0007259200000000 ] - [ -0.0010741300000000, 0.0001630600000000, 0.0002869600000000 ] - [ -0.0009668100000000, -0.0001378500000000, 0.0004270700000000 ] - [ -0.0011703100000000, -0.0001427400000000, 0.0001544900000000 ] - [ 0.0001766900000000, 0.0009968000000000, 0.0008674700000000 ] - [ 0.0001850300000000, 0.0010153700000000, 0.0006943100000000 ] - [ 0.0001784100000000, -0.0011596900000000, 0.0007825500000000 ] - [ 0.0001372500000000, 0.0009147400000000, 0.0006404200000000 ] - [ 0.0002189800000000, 0.0009315900000000, 0.0009211400000000 ] - [ 0.0001836300000000, -0.0009260800000000, 0.0007805700000000 ] - [ 0.0041744000000000, -0.0021321600000000, 0.0043831100000000 ] - [ -0.0027910900000000, -0.0015950100000000, -0.0035350500000000 ] - [ 0.0006650500000000, -0.0010461900000000, 0.0004214700000000 ] - [ 0.0006510000000000, 0.0001203200000000, 0.0004959600000000 ] - [ 0.0006799100000000, 0.0001324200000000, 0.0003523400000000 ] - [ 0.0006610800000000, -0.0002485200000000, 0.0004209200000000 ] - [ -0.0001436400000000, 0.0037465700000000, -0.0001840000000000 ] - [ 0.0003339600000000, -0.0007778900000000, 0.0007589500000000 ] - [ -0.0006465900000000, -0.0007805800000000, -0.0012519900000000 ] - [ -0.0001570100000000, 0.0004381200000000, -0.0002494000000000 ] - [ 0.0000525000000000, -0.0002520500000000, -0.0003704500000000 ] - [ -0.0003669400000000, -0.0002580400000000, -0.0001237900000000 ] - [ 0.0019823700000000, -0.0000389400000000, -0.0020687900000000 ] - [ 0.0002553000000000, -0.0000317800000000, 0.0010495900000000 ] - [ 0.0011114200000000, -0.0003858300000000, -0.0005121400000000 ] - [ 0.0004811700000000, 0.0001798000000000, 0.0017335800000000 ] - [ 0.0017573100000000, 0.0001777500000000, -0.0027843400000000 ] - [ 0.0011184900000000, -0.0008264100000000, -0.0005103700000000 ] - [ 0.0013842900000000, 0.0003418000000000, 0.0011526000000000 ] - [ -0.0035494800000000, 0.0003453300000000, -0.0005678800000000 ] - [ -0.0010762400000000, -0.0008044400000000, 0.0002966100000000 ] - [ -0.0010280600000000, 0.0001088800000000, 0.0003792100000000 ] - [ -0.0011181400000000, 0.0001106000000000, 0.0002089100000000 ] - [ -0.0010742500000000, -0.0002210800000000, 0.0002890400000000 ] - [ 0.0001851700000000, 0.0081466200000000, 0.0007876800000000 ] - [ -0.0002912800000000, -0.0033457600000000, -0.0002442800000000 ] - [ 0.0006504300000000, -0.0033364800000000, 0.0018029700000000 ] - [ 0.0001814400000000, 0.0012417000000000, 0.0007805800000000 ] - [ 0.0000734100000000, -0.0006348700000000, 0.0008675300000000 ] - [ 0.0002847900000000, -0.0006352100000000, 0.0006933700000000 ] - [ 0.0006565700000000, 0.0005299000000000, 0.0004247100000000 ] - [ 0.0006626500000000, -0.0002881300000000, 0.0004208800000000 ] - [ 0.0006648300000000, -0.0002913600000000, 0.0004248500000000 ] - [ 0.0006640100000000, 0.0002119000000000, 0.0004243400000000 ] - [ 0.0006284800000000, -0.0000889100000000, 0.0003067800000000 ] - [ 0.0006966200000000, -0.0000929400000000, 0.0005365500000000 ] - [ 0.0002267400000000, 0.0001269600000000, -0.0005922000000000 ] - [ -0.0005455000000000, 0.0001340300000000, 0.0000844700000000 ] - [ -0.0001612400000000, -0.0002935800000000, -0.0002480100000000 ] - [ 0.0000179900000000, 0.0004408500000000, -0.0000812200000000 ] - [ -0.0003380500000000, 0.0004461800000000, -0.0004271300000000 ] - [ -0.0001551500000000, -0.0007697000000000, -0.0002506600000000 ] - [ 0.0011140800000000, 0.0001983500000000, -0.0005172200000000 ] - [ 0.0012077800000000, -0.0001133700000000, -0.0003240300000000 ] - [ 0.0010283200000000, -0.0001065700000000, -0.0007038000000000 ] - [ 0.0011196800000000, 0.0005008700000000, -0.0005159500000000 ] - [ 0.0008639800000000, -0.0002368200000000, -0.0005913600000000 ] - [ 0.0013681900000000, -0.0002411700000000, -0.0004344500000000 ] - [ -0.0001459100000000, -0.0005338500000000, -0.0003156900000000 ] - [ -0.0007922300000000, 0.0005231400000000, 0.0001185000000000 ] - [ 0.0004801000000000, 0.0005305900000000, -0.0007373700000000 ] - [ -0.0001481800000000, 0.0000405600000000, -0.0003004500000000 ] - [ -0.0005531500000000, 0.0002438600000000, -0.0010768000000000 ] - [ 0.0002377900000000, 0.0002520300000000, 0.0004573800000000 ] - [ -0.0073179400000000, 0.0015742700000000, -0.0123872000000000 ] - [ 0.0070740700000000, 0.0015823800000000, 0.0118558600000000 ] - [ -0.0001515500000000, 0.0043148300000000, -0.0003135400000000 ] - [ -0.0010782500000000, -0.0004809400000000, 0.0002468200000000 ] - [ 0.0007753300000000, -0.0004910100000000, -0.0008622400000000 ] - [ -0.0001481300000000, 0.0009501600000000, -0.0003109200000000 ]- atom: 1 displacement: [ -0.0033530628758559, 0.0000000000000000, 0.0094210917281681 ] forces: - [ 0.0193470100000000, 0.0000000000000000, -0.0431646800000000 ] - [ -0.0000482400000000, 0.0000474800000000, -0.0002997800000000 ] - [ -0.0000482400000000, -0.0000474800000000, -0.0002997800000000 ] - [ -0.0004116800000000, 0.0000000000000000, 0.0011552300000000 ] - [ -0.0001215600000000, -0.0000433800000000, 0.0004236800000000 ] - [ -0.0001215600000000, 0.0000433800000000, 0.0004236800000000 ] - [ 0.0009598700000000, 0.0000000000000000, -0.0034921100000000 ] - [ -0.0003366500000000, -0.0000016700000000, -0.0004677300000000 ] - [ -0.0003366500000000, 0.0000016700000000, -0.0004677300000000 ] - [ -0.0006387400000000, 0.0000000000000000, 0.0010793200000000 ] - [ -0.0005348200000000, 0.0000084200000000, 0.0004545500000000 ] - [ -0.0005348200000000, -0.0000084200000000, 0.0004545500000000 ] - [ -0.0008615200000000, -0.0038175400000000, 0.0002452700000000 ] - [ -0.0008615200000000, 0.0038175400000000, 0.0002452700000000 ] - [ 0.0003426500000000, 0.0000000000000000, -0.0000618400000000 ] - [ 0.0000289300000000, 0.0004100200000000, 0.0004620400000000 ] - [ 0.0000289300000000, -0.0004100200000000, 0.0004620400000000 ] - [ 0.0002273100000000, 0.0000000000000000, 0.0000481700000000 ] - [ -0.0018542100000000, 0.0000000000000000, 0.0034762700000000 ] - [ -0.0000781900000000, -0.0002925900000000, -0.0000475600000000 ] - [ -0.0000781900000000, 0.0002925900000000, -0.0000475600000000 ] - [ -0.0015583800000000, 0.0000000000000000, 0.0062572700000000 ] - [ -0.0000265600000000, 0.0003287500000000, 0.0000152800000000 ] - [ -0.0000265600000000, -0.0003287500000000, 0.0000152800000000 ] - [ 0.0000037700000000, 0.0041725300000000, 0.0003133700000000 ] - [ 0.0000037700000000, -0.0041725300000000, 0.0003133700000000 ] - [ -0.0003373000000000, 0.0000000000000000, -0.0006908000000000 ] - [ -0.0003497100000000, -0.0003417800000000, 0.0002857900000000 ] - [ -0.0003497100000000, 0.0003417800000000, 0.0002857900000000 ] - [ -0.0002448400000000, 0.0000000000000000, -0.0002768600000000 ] - [ -0.0003275500000000, -0.0003405200000000, -0.0005482700000000 ] - [ -0.0003275500000000, 0.0003405200000000, -0.0005482700000000 ] - [ -0.0001143700000000, 0.0000000000000000, -0.0001700500000000 ] - [ 0.0001949200000000, 0.0000912400000000, 0.0007204700000000 ] - [ 0.0001949200000000, -0.0000912400000000, 0.0007204700000000 ] - [ -0.0000179700000000, 0.0000000000000000, 0.0002269600000000 ] - [ -0.0014505100000000, 0.0015262300000000, -0.0006083000000000 ] - [ -0.0014505100000000, -0.0015262300000000, -0.0006083000000000 ] - [ -0.0004321500000000, 0.0000000000000000, -0.0002263100000000 ] - [ -0.0004858700000000, -0.0000950700000000, 0.0007104500000000 ] - [ -0.0004858700000000, 0.0000950700000000, 0.0007104500000000 ] - [ -0.0004438600000000, 0.0000000000000000, 0.0002254300000000 ] - [ 0.0004054700000000, 0.0000000000000000, -0.0007010400000000 ] - [ 0.0002200000000000, 0.0000926600000000, -0.0000822300000000 ] - [ 0.0002200000000000, -0.0000926600000000, -0.0000822300000000 ] - [ 0.0004770300000000, 0.0000000000000000, 0.0005301900000000 ] - [ 0.0003397000000000, -0.0000379800000000, 0.0000970400000000 ] - [ 0.0003397000000000, 0.0000379800000000, 0.0000970400000000 ] - [ 0.0003056600000000, 0.0004177300000000, -0.0000193800000000 ] - [ 0.0003056600000000, -0.0004177300000000, -0.0000193800000000 ] - [ -0.0000089000000000, 0.0000000000000000, -0.0000157700000000 ] - [ -0.0001793900000000, -0.0001987700000000, 0.0001430300000000 ] - [ -0.0001793900000000, 0.0001987700000000, 0.0001430300000000 ] - [ -0.0001192200000000, 0.0000000000000000, 0.0000699300000000 ] - [ -0.0000859800000000, 0.0000000000000000, -0.0016425400000000 ] - [ -0.0002856600000000, -0.0000821400000000, -0.0008103900000000 ] - [ -0.0002856600000000, 0.0000821400000000, -0.0008103900000000 ] - [ 0.0001530800000000, 0.0000000000000000, 0.0007746300000000 ] - [ -0.0002815900000000, 0.0001849900000000, -0.0001601600000000 ] - [ -0.0002815900000000, -0.0001849900000000, -0.0001601600000000 ] - [ -0.0104350100000000, 0.0000000000000000, 0.0083397700000000 ] - [ -0.0012900500000000, -0.0004616800000000, 0.0006462300000000 ] - [ -0.0012900500000000, 0.0004616800000000, 0.0006462300000000 ] - [ 0.0004373900000000, 0.0000000000000000, -0.0025908900000000 ] - [ -0.0008645700000000, 0.0003931800000000, -0.0000710700000000 ] - [ -0.0008645700000000, -0.0003931800000000, -0.0000710700000000 ] - [ 0.0010480700000000, 0.0027936600000000, 0.0003126000000000 ] - [ 0.0010480700000000, -0.0027936600000000, 0.0003126000000000 ] - [ 0.0001928100000000, 0.0000000000000000, 0.0007985800000000 ] - [ -0.0003352400000000, -0.0032430000000000, -0.0002356000000000 ] - [ -0.0003352400000000, 0.0032430000000000, -0.0002356000000000 ] - [ 0.0001581400000000, 0.0000000000000000, 0.0007587800000000 ] - [ -0.0012463000000000, 0.0004800600000000, 0.0070062200000000 ] - [ -0.0012463000000000, -0.0004800600000000, 0.0070062200000000 ] - [ 0.0007100700000000, 0.0000000000000000, 0.0008524200000000 ] - [ 0.0007775400000000, -0.0000751400000000, -0.0007960000000000 ] - [ 0.0007775400000000, 0.0000751400000000, -0.0007960000000000 ] - [ 0.0006208500000000, 0.0000000000000000, -0.0000273900000000 ] - [ -0.0001098800000000, 0.0000000000000000, 0.0110088200000000 ] - [ -0.0000498900000000, 0.0004704300000000, 0.0003861300000000 ] - [ -0.0000498900000000, -0.0004704300000000, 0.0003861300000000 ] - [ 0.0001113200000000, 0.0000000000000000, -0.0034015000000000 ] - [ -0.0002229200000000, -0.0003404000000000, -0.0008698100000000 ] - [ -0.0002229200000000, 0.0003404000000000, -0.0008698100000000 ] - [ 0.0025683400000000, -0.0014644900000000, -0.0015927200000000 ] - [ 0.0025683400000000, 0.0014644900000000, -0.0015927200000000 ] - [ 0.0012116200000000, 0.0000000000000000, -0.0004232700000000 ] - [ 0.0003864200000000, 0.0017828400000000, -0.0012780100000000 ] - [ 0.0003864200000000, -0.0017828400000000, -0.0012780100000000 ] - [ 0.0009870500000000, 0.0000000000000000, -0.0005830900000000 ] - [ -0.0009032400000000, 0.0004823100000000, 0.0009800100000000 ] - [ -0.0009032400000000, -0.0004823100000000, 0.0009800100000000 ] - [ -0.0009913500000000, 0.0000000000000000, 0.0003891800000000 ] - [ -0.0013087000000000, -0.0002138200000000, -0.0001122600000000 ] - [ -0.0013087000000000, 0.0002138200000000, -0.0001122600000000 ] - [ -0.0011130200000000, 0.0000000000000000, 0.0001602500000000 ] - [ -0.0059388300000000, 0.0000000000000000, -0.0011171100000000 ] - [ 0.0001811100000000, -0.0002635900000000, 0.0009993100000000 ] - [ 0.0001811100000000, 0.0002635900000000, 0.0009993100000000 ] - [ 0.0005028500000000, 0.0000000000000000, 0.0003603400000000 ] - [ 0.0003327900000000, 0.0004684800000000, 0.0006668500000000 ] - [ 0.0003327900000000, -0.0004684800000000, 0.0006668500000000 ] - [ 0.0033387200000000, 0.0000000000000000, 0.0028644500000000 ] - [ 0.0008480100000000, -0.0002627500000000, 0.0010696100000000 ] - [ 0.0008480100000000, 0.0002627500000000, 0.0010696100000000 ] - [ 0.0003929800000000, 0.0000000000000000, -0.0004895500000000 ] - [ 0.0003767700000000, 0.0002594100000000, -0.0003631100000000 ] - [ 0.0003767700000000, -0.0002594100000000, -0.0003631100000000 ] - [ 0.0002151800000000, -0.0001768800000000, 0.0005473600000000 ] - [ 0.0002151800000000, 0.0001768800000000, 0.0005473600000000 ] - [ -0.0001060000000000, 0.0000000000000000, 0.0001610500000000 ] - [ -0.0007222000000000, 0.0006832500000000, -0.0013023600000000 ] - [ -0.0007222000000000, -0.0006832500000000, -0.0013023600000000 ] - [ -0.0001854500000000, 0.0000000000000000, -0.0006118000000000 ] - [ -0.0023596100000000, 0.0000000000000000, -0.0003128700000000 ] - [ 0.0008543300000000, 0.0003209000000000, -0.0002570900000000 ] - [ 0.0008543300000000, -0.0003209000000000, -0.0002570900000000 ] - [ 0.0007322600000000, 0.0000000000000000, -0.0008050500000000 ] - [ 0.0013981400000000, -0.0003582300000000, -0.0007698200000000 ] - [ 0.0013981400000000, 0.0003582300000000, -0.0007698200000000 ] - [ -0.0062203900000000, 0.0000000000000000, 0.0033844900000000 ] - [ -0.0002131100000000, 0.0018342500000000, -0.0004166500000000 ] - [ -0.0002131100000000, -0.0018342500000000, -0.0004166500000000 ] - [ 0.0032024600000000, 0.0000000000000000, 0.0070354900000000 ] - [ -0.0000364000000000, -0.0020397200000000, -0.0002686000000000 ] - [ -0.0000364000000000, 0.0020397200000000, -0.0002686000000000 ] - [ 0.0035118300000000, -0.0079708800000000, -0.0000097100000000 ] - [ 0.0035118300000000, 0.0079708800000000, -0.0000097100000000 ] - [ -0.0000937800000000, 0.0000000000000000, -0.0002790300000000 ] - [ -0.0013051800000000, 0.0006360800000000, 0.0006097100000000 ] - [ -0.0013051800000000, -0.0006360800000000, 0.0006097100000000 ] - [ -0.0001418900000000, 0.0000000000000000, -0.0002902000000000 ]- atom: 1 displacement: [ 0.0033530628758559, 0.0000000000000000, -0.0094210917281681 ] forces: - [ -0.0183747600000000, 0.0000000000000000, 0.0438585800000000 ] - [ -0.0000688200000000, -0.0000496100000000, 0.0003738600000000 ] - [ -0.0000688200000000, 0.0000496100000000, 0.0003738600000000 ] - [ 0.0002882600000000, 0.0000000000000000, -0.0010873600000000 ] - [ 0.0000003600000000, 0.0000425900000000, -0.0003511300000000 ] - [ 0.0000003600000000, -0.0000425900000000, -0.0003511300000000 ] - [ -0.0018249600000000, 0.0000000000000000, 0.0035036000000000 ] - [ -0.0005549500000000, 0.0000021200000000, 0.0004677500000000 ] - [ -0.0005549500000000, -0.0000021200000000, 0.0004677500000000 ] - [ -0.0002505000000000, 0.0000000000000000, -0.0010811000000000 ] - [ -0.0003570700000000, -0.0000086100000000, -0.0004571600000000 ] - [ -0.0003570700000000, 0.0000086100000000, -0.0004571600000000 ] - [ 0.0014104400000000, 0.0037865600000000, -0.0002713800000000 ] - [ 0.0014104400000000, -0.0037865600000000, -0.0002713800000000 ] - [ 0.0002151300000000, 0.0000000000000000, 0.0000457900000000 ] - [ 0.0005274100000000, -0.0004093900000000, -0.0004806600000000 ] - [ 0.0005274100000000, 0.0004093900000000, -0.0004806600000000 ] - [ 0.0003282400000000, 0.0000000000000000, -0.0000627100000000 ] - [ 0.0017622400000000, 0.0000000000000000, -0.0034833200000000 ] - [ -0.0000361800000000, 0.0002956600000000, 0.0001059600000000 ] - [ -0.0000361800000000, -0.0002956600000000, 0.0001059600000000 ] - [ 0.0014129200000000, 0.0000000000000000, -0.0060838000000000 ] - [ -0.0000878000000000, -0.0003261000000000, 0.0000377800000000 ] - [ -0.0000878000000000, 0.0003261000000000, 0.0000377800000000 ] - [ -0.0006031100000000, -0.0042111900000000, -0.0012762100000000 ] - [ -0.0006031100000000, 0.0042111900000000, -0.0012762100000000 ] - [ -0.0002467700000000, 0.0000000000000000, -0.0002725300000000 ] - [ -0.0002384700000000, 0.0003433300000000, -0.0012508000000000 ] - [ -0.0002384700000000, -0.0003433300000000, -0.0012508000000000 ] - [ -0.0003455200000000, 0.0000000000000000, -0.0006911900000000 ] - [ 0.0002077800000000, 0.0003409100000000, 0.0006229100000000 ] - [ 0.0002077800000000, -0.0003409100000000, 0.0006229100000000 ] - [ -0.0000024600000000, 0.0000000000000000, 0.0002404900000000 ] - [ -0.0003159200000000, -0.0000910300000000, -0.0006501600000000 ] - [ -0.0003159200000000, 0.0000910300000000, -0.0006501600000000 ] - [ -0.0001006500000000, 0.0000000000000000, -0.0001545400000000 ] - [ 0.0005625400000000, -0.0015360100000000, 0.0006197500000000 ] - [ 0.0005625400000000, 0.0015360100000000, 0.0006197500000000 ] - [ -0.0004594100000000, 0.0000000000000000, 0.0002265400000000 ] - [ -0.0004039000000000, 0.0000955400000000, -0.0007115600000000 ] - [ -0.0004039000000000, -0.0000955400000000, -0.0007115600000000 ] - [ -0.0004463400000000, 0.0000000000000000, -0.0002284700000000 ] - [ 0.0001495900000000, 0.0000000000000000, 0.0006835800000000 ] - [ 0.0003370800000000, -0.0000943100000000, 0.0000668700000000 ] - [ 0.0003370800000000, 0.0000943100000000, 0.0000668700000000 ] - [ 0.0000820800000000, 0.0000000000000000, -0.0005442200000000 ] - [ 0.0002190000000000, 0.0000385200000000, -0.0001113600000000 ] - [ 0.0002190000000000, -0.0000385200000000, -0.0001113600000000 ] - [ -0.0004185200000000, -0.0004184200000000, 0.0000757000000000 ] - [ -0.0004185200000000, 0.0004184200000000, 0.0000757000000000 ] - [ -0.0001035800000000, 0.0000000000000000, 0.0000734500000000 ] - [ 0.0000668500000000, 0.0001994400000000, -0.0000873100000000 ] - [ 0.0000668500000000, -0.0001994400000000, -0.0000873100000000 ] - [ 0.0000062600000000, 0.0000000000000000, -0.0000131700000000 ] - [ -0.0004992000000000, 0.0000000000000000, 0.0006796800000000 ] - [ -0.0002970400000000, 0.0000834000000000, -0.0001533200000000 ] - [ -0.0002970400000000, -0.0000834000000000, -0.0001533200000000 ] - [ -0.0007405100000000, 0.0000000000000000, -0.0017418100000000 ] - [ -0.0003063600000000, -0.0001847700000000, -0.0008063300000000 ] - [ -0.0003063600000000, 0.0001847700000000, -0.0008063300000000 ] - [ 0.0075324300000000, 0.0000000000000000, -0.0074080200000000 ] - [ -0.0008535500000000, 0.0004598800000000, -0.0000615000000000 ] - [ -0.0008535500000000, -0.0004598800000000, -0.0000615000000000 ] - [ -0.0025647000000000, 0.0000000000000000, 0.0031677500000000 ] - [ -0.0012694100000000, -0.0003946500000000, 0.0006510900000000 ] - [ -0.0012694100000000, 0.0003946500000000, 0.0006510900000000 ] - [ -0.0006836900000000, -0.0028027300000000, 0.0012455300000000 ] - [ -0.0006836900000000, 0.0028027300000000, 0.0012455300000000 ] - [ 0.0001668300000000, 0.0000000000000000, 0.0007658300000000 ] - [ 0.0006981200000000, 0.0032398800000000, 0.0018018100000000 ] - [ 0.0006981200000000, -0.0032398800000000, 0.0018018100000000 ] - [ 0.0002039600000000, 0.0000000000000000, 0.0008007900000000 ] - [ 0.0025735300000000, -0.0004826300000000, -0.0061586700000000 ] - [ 0.0025735300000000, 0.0004826300000000, -0.0061586700000000 ] - [ 0.0006242100000000, 0.0000000000000000, -0.0000074000000000 ] - [ 0.0005568500000000, 0.0000724500000000, 0.0016469800000000 ] - [ 0.0005568500000000, -0.0000724500000000, 0.0016469800000000 ] - [ 0.0007138100000000, 0.0000000000000000, 0.0008758200000000 ] - [ -0.0005446900000000, 0.0000000000000000, -0.0123750000000000 ] - [ -0.0002698600000000, -0.0004722700000000, -0.0008935900000000 ] - [ -0.0002698600000000, 0.0004722700000000, -0.0008935900000000 ] - [ -0.0004216500000000, 0.0000000000000000, 0.0029107200000000 ] - [ -0.0000935500000000, 0.0003395300000000, 0.0003724400000000 ] - [ -0.0000935500000000, -0.0003395300000000, 0.0003724400000000 ] - [ -0.0003522000000000, 0.0014818200000000, 0.0005819900000000 ] - [ -0.0003522000000000, -0.0014818200000000, 0.0005819900000000 ] - [ 0.0010163400000000, 0.0000000000000000, -0.0006011000000000 ] - [ 0.0018313800000000, -0.0017666700000000, 0.0002492400000000 ] - [ 0.0018313800000000, 0.0017666700000000, 0.0002492400000000 ] - [ 0.0012444500000000, 0.0000000000000000, -0.0004383200000000 ] - [ -0.0012295500000000, -0.0004833400000000, -0.0003990100000000 ] - [ -0.0012295500000000, 0.0004833400000000, -0.0003990100000000 ] - [ -0.0011534800000000, 0.0000000000000000, 0.0001970000000000 ] - [ -0.0008331700000000, 0.0002148700000000, 0.0006935900000000 ] - [ -0.0008331700000000, -0.0002148700000000, 0.0006935900000000 ] - [ -0.0010292600000000, 0.0000000000000000, 0.0004186300000000 ] - [ 0.0062707300000000, 0.0000000000000000, 0.0027643000000000 ] - [ 0.0001788100000000, 0.0002680700000000, 0.0005664900000000 ] - [ 0.0001788100000000, -0.0002680700000000, 0.0005664900000000 ] - [ -0.0001467000000000, 0.0000000000000000, 0.0012046400000000 ] - [ 0.0000244500000000, -0.0004741100000000, 0.0008940100000000 ] - [ 0.0000244500000000, 0.0004741100000000, 0.0008940100000000 ] - [ -0.0020067900000000, 0.0000000000000000, -0.0020292300000000 ] - [ 0.0004848100000000, 0.0002597600000000, -0.0002262200000000 ] - [ 0.0004848100000000, -0.0002597600000000, -0.0002262200000000 ] - [ 0.0009419600000000, 0.0000000000000000, 0.0013403100000000 ] - [ 0.0009579900000000, -0.0002596800000000, 0.0012108700000000 ] - [ 0.0009579900000000, 0.0002596800000000, 0.0012108700000000 ] - [ -0.0005403100000000, 0.0001758000000000, -0.0010542200000000 ] - [ -0.0005403100000000, -0.0001758000000000, -0.0010542200000000 ] - [ -0.0002192500000000, 0.0000000000000000, -0.0006705700000000 ] - [ 0.0003980800000000, -0.0006846200000000, 0.0008013400000000 ] - [ 0.0003980800000000, 0.0006846200000000, 0.0008013400000000 ] - [ -0.0001322400000000, 0.0000000000000000, 0.0001126900000000 ] - [ 0.0045933600000000, 0.0000000000000000, -0.0007046500000000 ] - [ 0.0013740700000000, -0.0003230600000000, -0.0007665500000000 ] - [ 0.0013740700000000, 0.0003230600000000, -0.0007665500000000 ] - [ 0.0015029200000000, 0.0000000000000000, -0.0002187000000000 ] - [ 0.0008336600000000, 0.0003621900000000, -0.0002547200000000 ] - [ 0.0008336600000000, -0.0003621900000000, -0.0002547200000000 ] - [ 0.0058880700000000, 0.0000000000000000, -0.0039956100000000 ] - [ -0.0000955700000000, -0.0018342400000000, -0.0002092500000000 ] - [ -0.0000955700000000, 0.0018342400000000, -0.0002092500000000 ] - [ -0.0035194400000000, 0.0000000000000000, -0.0076999300000000 ] - [ -0.0002752100000000, 0.0020413600000000, -0.0003531100000000 ] - [ -0.0002752100000000, -0.0020413600000000, -0.0003531100000000 ] - [ -0.0037905500000000, 0.0079635500000000, -0.0006618000000000 ] - [ -0.0037905500000000, -0.0079635500000000, -0.0006618000000000 ] - [ -0.0002130400000000, 0.0000000000000000, -0.0003479900000000 ] - [ 0.0010130400000000, -0.0006376100000000, -0.0012390500000000 ] - [ 0.0010130400000000, 0.0006376100000000, -0.0012390500000000 ] - [ -0.0001608900000000, 0.0000000000000000, -0.0003312200000000 ]- atom: 7 displacement: [ 0.0099999834948202, 0.0000000000000000, 0.0000181687457952 ] forces: - [ 0.0064273900000000, 0.0000000000000000, 0.0038260200000000 ] - [ -0.0001200300000000, 0.0002223400000000, 0.0001315600000000 ] - [ -0.0001200300000000, -0.0002223400000000, 0.0001315600000000 ] - [ 0.0004192000000000, 0.0000000000000000, 0.0000038100000000 ] - [ -0.0000132900000000, 0.0000537500000000, -0.0000402200000000 ] - [ -0.0000132900000000, -0.0000537500000000, -0.0000402200000000 ] - [ -0.0211816100000000, 0.0000000000000000, -0.0103458700000000 ] - [ -0.0006934100000000, -0.0000019600000000, 0.0001141600000000 ] - [ -0.0006934100000000, 0.0000019600000000, 0.0001141600000000 ] - [ -0.0011035700000000, 0.0000000000000000, -0.0006391200000000 ] - [ -0.0004239500000000, -0.0000001100000000, -0.0001586600000000 ] - [ -0.0004239500000000, 0.0000001100000000, -0.0001586600000000 ] - [ 0.0000231800000000, -0.0012002600000000, 0.0012006200000000 ] - [ 0.0000231800000000, 0.0012002600000000, 0.0012006200000000 ] - [ 0.0002347700000000, 0.0000000000000000, 0.0000082800000000 ] - [ 0.0004666400000000, -0.0003889000000000, -0.0001594700000000 ] - [ 0.0004666400000000, 0.0003889000000000, -0.0001594700000000 ] - [ 0.0003288700000000, 0.0000000000000000, -0.0000261100000000 ] - [ 0.0013100200000000, 0.0000000000000000, -0.0003465300000000 ] - [ 0.0000479500000000, 0.0000788700000000, 0.0000078800000000 ] - [ 0.0000479500000000, -0.0000788700000000, 0.0000078800000000 ] - [ 0.0002360300000000, 0.0000000000000000, 0.0002594900000000 ] - [ -0.0001341400000000, 0.0000724900000000, 0.0000398600000000 ] - [ -0.0001341400000000, -0.0000724900000000, 0.0000398600000000 ] - [ 0.0012642100000000, -0.0022070300000000, -0.0010030000000000 ] - [ 0.0012642100000000, 0.0022070300000000, -0.0010030000000000 ] - [ -0.0002462000000000, 0.0000000000000000, -0.0004543000000000 ] - [ -0.0004602200000000, -0.0001955200000000, -0.0005854900000000 ] - [ -0.0004602200000000, 0.0001955200000000, -0.0005854900000000 ] - [ -0.0003303100000000, 0.0000000000000000, -0.0004957900000000 ] - [ 0.0014916600000000, 0.0021932400000000, -0.0004751900000000 ] - [ 0.0014916600000000, -0.0021932400000000, -0.0004751900000000 ] - [ -0.0000123500000000, 0.0000000000000000, 0.0000667100000000 ] - [ -0.0002274000000000, 0.0001969800000000, -0.0000643900000000 ] - [ -0.0002274000000000, -0.0001969800000000, -0.0000643900000000 ] - [ -0.0000944900000000, 0.0000000000000000, 0.0000271800000000 ] - [ 0.0002024900000000, 0.0000007400000000, 0.0000036500000000 ] - [ 0.0002024900000000, -0.0000007400000000, 0.0000036500000000 ] - [ -0.0003968300000000, 0.0000000000000000, 0.0000063600000000 ] - [ -0.0002924500000000, 0.0000001700000000, 0.0001071600000000 ] - [ -0.0002924500000000, -0.0000001700000000, 0.0001071600000000 ] - [ -0.0004640400000000, 0.0000000000000000, 0.0000089300000000 ] - [ 0.0016461100000000, 0.0000000000000000, -0.0003821600000000 ] - [ 0.0003822900000000, -0.0000785500000000, -0.0000265600000000 ] - [ 0.0003822900000000, 0.0000785500000000, -0.0000265600000000 ] - [ 0.0005728700000000, 0.0000000000000000, 0.0002266500000000 ] - [ 0.0002007900000000, -0.0000729500000000, 0.0000047100000000 ] - [ 0.0002007900000000, 0.0000729500000000, 0.0000047100000000 ] - [ -0.0002942000000000, 0.0012070200000000, 0.0012404000000000 ] - [ -0.0002942000000000, -0.0012070200000000, 0.0012404000000000 ] - [ -0.0000999400000000, 0.0000000000000000, 0.0000425900000000 ] - [ 0.0001332500000000, 0.0003884400000000, -0.0001239100000000 ] - [ 0.0001332500000000, -0.0003884400000000, -0.0001239100000000 ] - [ -0.0000026400000000, 0.0000000000000000, 0.0000102200000000 ] - [ 0.0060738500000000, 0.0000000000000000, 0.0032407200000000 ] - [ -0.0003520900000000, -0.0002209200000000, -0.0003909700000000 ] - [ -0.0003520900000000, 0.0002209200000000, -0.0003909700000000 ] - [ 0.0001866200000000, 0.0000000000000000, -0.0005169600000000 ] - [ -0.0002490700000000, -0.0000549100000000, -0.0005618000000000 ] - [ -0.0002490700000000, 0.0000549100000000, -0.0005618000000000 ] - [ 0.0099611300000000, 0.0000000000000000, 0.0027618900000000 ] - [ -0.0006584500000000, -0.0000799300000000, 0.0000788600000000 ] - [ -0.0006584500000000, 0.0000799300000000, 0.0000788600000000 ] - [ -0.0019460600000000, 0.0000000000000000, 0.0025744200000000 ] - [ -0.0011921200000000, -0.0001362700000000, 0.0004159100000000 ] - [ -0.0011921200000000, 0.0001362700000000, 0.0004159100000000 ] - [ 0.0012090600000000, -0.0010312000000000, 0.0016554200000000 ] - [ 0.0012090600000000, 0.0010312000000000, 0.0016554200000000 ] - [ 0.0002527400000000, 0.0000000000000000, 0.0008082700000000 ] - [ 0.0012176500000000, 0.0010325700000000, 0.0016521900000000 ] - [ 0.0012176500000000, -0.0010325700000000, 0.0016521900000000 ] - [ 0.0002552800000000, 0.0000000000000000, 0.0008067000000000 ] - [ -0.0008699500000000, 0.0009139000000000, -0.0010379700000000 ] - [ -0.0008699500000000, -0.0009139000000000, -0.0010379700000000 ] - [ 0.0006492900000000, 0.0000000000000000, 0.0003221500000000 ] - [ 0.0003798100000000, 0.0001404400000000, 0.0004695600000000 ] - [ 0.0003798100000000, -0.0001404400000000, 0.0004695600000000 ] - [ 0.0006314400000000, 0.0000000000000000, 0.0004614200000000 ] - [ -0.0009100400000000, 0.0000000000000000, 0.0080981200000000 ] - [ -0.0001412200000000, -0.0003796900000000, -0.0001646200000000 ] - [ -0.0001412200000000, 0.0003796900000000, -0.0001646200000000 ] - [ 0.0003572900000000, 0.0000000000000000, -0.0012384100000000 ] - [ -0.0000070500000000, 0.0001240400000000, -0.0000288300000000 ] - [ -0.0000070500000000, -0.0001240400000000, -0.0000288300000000 ] - [ -0.0003735200000000, 0.0005549000000000, -0.0001926600000000 ] - [ -0.0003735200000000, -0.0005549000000000, -0.0001926600000000 ] - [ 0.0009388600000000, 0.0000000000000000, -0.0004630500000000 ] - [ 0.0010369600000000, 0.0002311900000000, -0.0009209300000000 ] - [ 0.0010369600000000, -0.0002311900000000, -0.0009209300000000 ] - [ 0.0011987500000000, 0.0000000000000000, -0.0005384800000000 ] - [ -0.0025609100000000, -0.0005556200000000, 0.0006068600000000 ] - [ -0.0025609100000000, 0.0005556200000000, 0.0006068600000000 ] - [ -0.0012478700000000, 0.0000000000000000, 0.0003408100000000 ] - [ -0.0011536600000000, -0.0002329200000000, -0.0001195300000000 ] - [ -0.0011536600000000, 0.0002329200000000, -0.0001195300000000 ] - [ -0.0009908500000000, 0.0000000000000000, 0.0002615400000000 ] - [ -0.0004082400000000, 0.0000000000000000, 0.0004865000000000 ] - [ -0.0000009400000000, -0.0001672600000000, 0.0006793400000000 ] - [ -0.0000009400000000, 0.0001672600000000, 0.0006793400000000 ] - [ -0.0004081900000000, 0.0000000000000000, 0.0004891100000000 ] - [ -0.0000017200000000, 0.0001640000000000, 0.0006800800000000 ] - [ -0.0000017200000000, -0.0001640000000000, 0.0006800800000000 ] - [ -0.0005673200000000, 0.0000000000000000, 0.0089166200000000 ] - [ 0.0006839800000000, 0.0003780800000000, 0.0005107400000000 ] - [ 0.0006839800000000, -0.0003780800000000, 0.0005107400000000 ] - [ 0.0011882700000000, 0.0000000000000000, -0.0005655000000000 ] - [ 0.0008214600000000, -0.0001246900000000, 0.0006457400000000 ] - [ 0.0008214600000000, 0.0001246900000000, 0.0006457400000000 ] - [ -0.0016905200000000, -0.0009069800000000, -0.0017012300000000 ] - [ -0.0016905200000000, 0.0009069800000000, -0.0017012300000000 ] - [ -0.0001824000000000, 0.0000000000000000, -0.0003557500000000 ] - [ -0.0004490800000000, -0.0001406000000000, -0.0002077500000000 ] - [ -0.0004490800000000, 0.0001406000000000, -0.0002077500000000 ] - [ -0.0001975500000000, 0.0000000000000000, -0.0002157200000000 ] - [ 0.0120981800000000, 0.0000000000000000, 0.0017960100000000 ] - [ 0.0015259600000000, 0.0000810100000000, -0.0007252100000000 ] - [ 0.0015259600000000, -0.0000810100000000, -0.0007252100000000 ] - [ 0.0002467000000000, 0.0000000000000000, 0.0017632500000000 ] - [ 0.0009904700000000, 0.0001389100000000, -0.0003854700000000 ] - [ 0.0009904700000000, -0.0001389100000000, -0.0003854700000000 ] - [ -0.0087069800000000, 0.0000000000000000, -0.0118448700000000 ] - [ -0.0003725100000000, -0.0008697400000000, -0.0004009400000000 ] - [ -0.0003725100000000, 0.0008697400000000, -0.0004009400000000 ] - [ -0.0087974500000000, 0.0000000000000000, -0.0118063800000000 ] - [ -0.0003765100000000, 0.0008676300000000, -0.0003974600000000 ] - [ -0.0003765100000000, -0.0008676300000000, -0.0003974600000000 ] - [ 0.0013467400000000, -0.0001173100000000, 0.0006382300000000 ] - [ 0.0013467400000000, 0.0001173100000000, 0.0006382300000000 ] - [ -0.0001239000000000, 0.0000000000000000, -0.0003299900000000 ] - [ 0.0013467700000000, 0.0001179300000000, 0.0006286600000000 ] - [ 0.0013467700000000, -0.0001179300000000, 0.0006286600000000 ] - [ -0.0001206100000000, 0.0000000000000000, -0.0003274500000000 ]- atom: 7 displacement: [ -0.0099999834948202, 0.0000000000000000, -0.0000181687457952 ] forces: - [ -0.0064278000000000, 0.0000000000000000, -0.0036913400000000 ] - [ 0.0000002600000000, -0.0002213200000000, -0.0000548300000000 ] - [ 0.0000002600000000, 0.0002213200000000, -0.0000548300000000 ] - [ -0.0005410700000000, 0.0000000000000000, 0.0000697900000000 ] - [ -0.0001041600000000, -0.0000548000000000, 0.0001161300000000 ] - [ -0.0001041600000000, 0.0000548000000000, 0.0001161300000000 ] - [ 0.0202623000000000, 0.0000000000000000, 0.0103210300000000 ] - [ -0.0001984600000000, -0.0000015900000000, -0.0001133800000000 ] - [ -0.0001984600000000, 0.0000015900000000, -0.0001133800000000 ] - [ 0.0002121500000000, 0.0000000000000000, 0.0006389000000000 ] - [ -0.0004677400000000, -0.0000002100000000, 0.0001590000000000 ] - [ -0.0004677400000000, 0.0000002100000000, 0.0001590000000000 ] - [ 0.0005208100000000, 0.0012060100000000, -0.0012181000000000 ] - [ 0.0005208100000000, -0.0012060100000000, -0.0012181000000000 ] - [ 0.0003229600000000, 0.0000000000000000, -0.0000199900000000 ] - [ 0.0000907000000000, 0.0003884800000000, 0.0001458700000000 ] - [ 0.0000907000000000, -0.0003884800000000, 0.0001458700000000 ] - [ 0.0002257200000000, 0.0000000000000000, 0.0000125900000000 ] - [ -0.0014229800000000, 0.0000000000000000, 0.0004054300000000 ] - [ -0.0001588700000000, -0.0000784800000000, 0.0000506200000000 ] - [ -0.0001588700000000, 0.0000784800000000, 0.0000506200000000 ] - [ -0.0003495700000000, 0.0000000000000000, -0.0002030700000000 ] - [ 0.0000205300000000, -0.0000720800000000, 0.0000175900000000 ] - [ 0.0000205300000000, 0.0000720800000000, 0.0000175900000000 ] - [ -0.0018446600000000, 0.0021946500000000, 0.0000314400000000 ] - [ -0.0018446600000000, -0.0021946500000000, 0.0000314400000000 ] - [ -0.0003399600000000, 0.0000000000000000, -0.0005110400000000 ] - [ -0.0001271100000000, 0.0001968200000000, -0.0003792200000000 ] - [ -0.0001271100000000, -0.0001968200000000, -0.0003792200000000 ] - [ -0.0002576200000000, 0.0000000000000000, -0.0004708600000000 ] - [ -0.0016158700000000, -0.0022059600000000, 0.0005591500000000 ] - [ -0.0016158700000000, 0.0022059600000000, 0.0005591500000000 ] - [ -0.0001042500000000, 0.0000000000000000, 0.0000060800000000 ] - [ 0.0001063600000000, -0.0001957500000000, 0.0001394800000000 ] - [ 0.0001063600000000, 0.0001957500000000, 0.0001394800000000 ] - [ -0.0000223600000000, 0.0000000000000000, 0.0000499500000000 ] - [ -0.0010948200000000, -0.0000002800000000, -0.0000029500000000 ] - [ -0.0010948200000000, 0.0000002800000000, -0.0000029500000000 ] - [ -0.0004949900000000, 0.0000000000000000, -0.0000061800000000 ] - [ -0.0005985700000000, 0.0000001700000000, -0.0001068700000000 ] - [ -0.0005985700000000, -0.0000001700000000, -0.0001068700000000 ] - [ -0.0004284200000000, 0.0000000000000000, -0.0000099100000000 ] - [ -0.0010871000000000, 0.0000000000000000, 0.0003692100000000 ] - [ 0.0001760900000000, 0.0000788400000000, 0.0000143600000000 ] - [ 0.0001760900000000, -0.0000788400000000, 0.0000143600000000 ] - [ -0.0000133200000000, 0.0000000000000000, -0.0002376800000000 ] - [ 0.0003553600000000, 0.0000722700000000, -0.0000178500000000 ] - [ 0.0003553600000000, -0.0000722700000000, -0.0000178500000000 ] - [ 0.0001961100000000, -0.0012013300000000, -0.0011790600000000 ] - [ 0.0001961100000000, 0.0012013300000000, -0.0011790600000000 ] - [ -0.0000113100000000, 0.0000000000000000, 0.0000161000000000 ] - [ -0.0002450200000000, -0.0003880100000000, 0.0001821600000000 ] - [ -0.0002450200000000, 0.0003880100000000, 0.0001821600000000 ] - [ -0.0001084700000000, 0.0000000000000000, 0.0000467000000000 ] - [ -0.0067796600000000, 0.0000000000000000, -0.0042651900000000 ] - [ -0.0002315200000000, 0.0002231100000000, -0.0005739400000000 ] - [ -0.0002315200000000, -0.0002231100000000, -0.0005739400000000 ] - [ -0.0007736700000000, 0.0000000000000000, -0.0004471800000000 ] - [ -0.0003387500000000, 0.0000535000000000, -0.0004029600000000 ] - [ -0.0003387500000000, -0.0000535000000000, -0.0004029600000000 ] - [ -0.0120480300000000, 0.0000000000000000, -0.0020259300000000 ] - [ -0.0014838600000000, 0.0000801900000000, 0.0005074300000000 ] - [ -0.0014838600000000, -0.0000801900000000, 0.0005074300000000 ] - [ -0.0001994400000000, 0.0000000000000000, -0.0019855600000000 ] - [ -0.0009436100000000, 0.0001363600000000, 0.0001637700000000 ] - [ -0.0009436100000000, -0.0001363600000000, 0.0001637700000000 ] - [ -0.0008552600000000, 0.0010336500000000, -0.0000923200000000 ] - [ -0.0008552600000000, -0.0010336500000000, -0.0000923200000000 ] - [ 0.0001049700000000, 0.0000000000000000, 0.0007564200000000 ] - [ -0.0008498000000000, -0.0010288700000000, -0.0000910100000000 ] - [ -0.0008498000000000, 0.0010288700000000, -0.0000910100000000 ] - [ 0.0001068100000000, 0.0000000000000000, 0.0007538800000000 ] - [ 0.0021962400000000, -0.0009077700000000, 0.0018742800000000 ] - [ 0.0021962400000000, 0.0009077700000000, 0.0018742800000000 ] - [ 0.0006873300000000, 0.0000000000000000, 0.0005289800000000 ] - [ 0.0009534100000000, -0.0001423900000000, 0.0003811700000000 ] - [ 0.0009534100000000, 0.0001423900000000, 0.0003811700000000 ] - [ 0.0007027900000000, 0.0000000000000000, 0.0003874400000000 ] - [ 0.0009650100000000, 0.0000000000000000, -0.0087042200000000 ] - [ -0.0001782800000000, 0.0003781900000000, -0.0003389500000000 ] - [ -0.0001782800000000, -0.0003781900000000, -0.0003389500000000 ] - [ -0.0006812200000000, 0.0000000000000000, 0.0007382500000000 ] - [ -0.0003121500000000, -0.0001244500000000, -0.0004702200000000 ] - [ -0.0003121500000000, 0.0001244500000000, -0.0004702200000000 ] - [ 0.0026010600000000, -0.0005553600000000, -0.0008279300000000 ] - [ 0.0026010600000000, 0.0005553600000000, -0.0008279300000000 ] - [ 0.0012908400000000, 0.0000000000000000, -0.0005591900000000 ] - [ 0.0011979500000000, -0.0002334200000000, -0.0001023200000000 ] - [ 0.0011979500000000, 0.0002334200000000, -0.0001023200000000 ] - [ 0.0010347600000000, 0.0000000000000000, -0.0004823000000000 ] - [ 0.0004146800000000, 0.0005542500000000, -0.0000274900000000 ] - [ 0.0004146800000000, -0.0005542500000000, -0.0000274900000000 ] - [ -0.0008960200000000, 0.0000000000000000, 0.0002469800000000 ] - [ -0.0009905100000000, 0.0002318900000000, 0.0007016600000000 ] - [ -0.0009905100000000, -0.0002318900000000, 0.0007016600000000 ] - [ -0.0011532600000000, 0.0000000000000000, 0.0003178700000000 ] - [ 0.0007690100000000, 0.0000000000000000, 0.0010745700000000 ] - [ 0.0003613100000000, 0.0001651200000000, 0.0008825200000000 ] - [ 0.0003613100000000, -0.0001651200000000, 0.0008825200000000 ] - [ 0.0007674700000000, 0.0000000000000000, 0.0010745500000000 ] - [ 0.0003603300000000, -0.0001660000000000, 0.0008827700000000 ] - [ 0.0003603300000000, 0.0001660000000000, 0.0008827700000000 ] - [ 0.0015320100000000, 0.0000000000000000, -0.0079662600000000 ] - [ 0.0006466500000000, -0.0003802000000000, 0.0003363900000000 ] - [ 0.0006466500000000, 0.0003802000000000, 0.0003363900000000 ] - [ 0.0001479800000000, 0.0000000000000000, 0.0014108300000000 ] - [ 0.0005144000000000, 0.0001248300000000, 0.0002032400000000 ] - [ 0.0005144000000000, -0.0001248300000000, 0.0002032400000000 ] - [ 0.0013754600000000, 0.0009115100000000, 0.0012071600000000 ] - [ 0.0013754600000000, -0.0009115100000000, 0.0012071600000000 ] - [ -0.0001422100000000, 0.0000000000000000, -0.0001484200000000 ] - [ 0.0001264000000000, 0.0001408200000000, -0.0002946500000000 ] - [ 0.0001264000000000, -0.0001408200000000, -0.0002946500000000 ] - [ -0.0001222300000000, 0.0000000000000000, -0.0002865500000000 ] - [ -0.0099237200000000, 0.0000000000000000, -0.0029746900000000 ] - [ 0.0007017400000000, -0.0000818000000000, -0.0002974100000000 ] - [ 0.0007017400000000, 0.0000818000000000, -0.0002974100000000 ] - [ 0.0019889300000000, 0.0000000000000000, -0.0027923700000000 ] - [ 0.0012396400000000, -0.0001337400000000, -0.0006387900000000 ] - [ 0.0012396400000000, 0.0001337400000000, -0.0006387900000000 ] - [ 0.0084709900000000, 0.0000000000000000, 0.0111937800000000 ] - [ 0.0000669900000000, 0.0008684600000000, -0.0002239000000000 ] - [ 0.0000669900000000, -0.0008684600000000, -0.0002239000000000 ] - [ 0.0084157100000000, 0.0000000000000000, 0.0112140800000000 ] - [ 0.0000646200000000, -0.0008679100000000, -0.0002211800000000 ] - [ 0.0000646200000000, 0.0008679100000000, -0.0002211800000000 ] - [ -0.0016521100000000, 0.0001179800000000, -0.0012504500000000 ] - [ -0.0016521100000000, -0.0001179800000000, -0.0012504500000000 ] - [ -0.0001848100000000, 0.0000000000000000, -0.0002975500000000 ] - [ -0.0016521500000000, -0.0001147000000000, -0.0012573800000000 ] - [ -0.0016521500000000, 0.0001147000000000, -0.0012573800000000 ] - [ -0.0001818700000000, 0.0000000000000000, -0.0002940000000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000675500000000, -0.0018921100000000, 0.0000184400000000 ] - [ 0.0001140500000000, 0.0002469100000000, 0.0000891900000000 ] - [ -0.0002149400000000, 0.0002415700000000, -0.0000349900000000 ] - [ -0.0000502300000000, -0.0000961600000000, 0.0000250900000000 ] - [ 0.0000039700000000, 0.0000417900000000, 0.0000401600000000 ] - [ -0.0001065200000000, 0.0000476700000000, 0.0000157600000000 ] - [ -0.0004430100000000, -0.0243778300000000, 0.0000005800000000 ] - [ -0.0004464100000000, 0.0012207900000000, -0.0000002700000000 ] - [ -0.0004442900000000, 0.0012055400000000, 0.0000004600000000 ] - [ -0.0004450900000000, -0.0001668700000000, 0.0000000200000000 ] - [ -0.0004460700000000, 0.0000807100000000, -0.0000005500000000 ] - [ -0.0004476600000000, 0.0000811500000000, -0.0000031600000000 ] - [ -0.0012227700000000, 0.0010170800000000, -0.0028946100000000 ] - [ 0.0017944300000000, 0.0010193700000000, 0.0029141100000000 ] - [ 0.0002762300000000, 0.0004127900000000, -0.0000143700000000 ] - [ 0.0000975100000000, -0.0000972200000000, 0.0000629800000000 ] - [ 0.0004615800000000, -0.0001024200000000, -0.0000819900000000 ] - [ 0.0002800900000000, 0.0001791100000000, -0.0000037900000000 ] - [ -0.0000601400000000, -0.0000636700000000, 0.0000341600000000 ] - [ 0.0000549400000000, 0.0001012400000000, -0.0000201000000000 ] - [ -0.0001678100000000, 0.0001026700000000, 0.0000818600000000 ] - [ -0.0000593500000000, -0.0000365300000000, 0.0000318400000000 ] - [ 0.0000404800000000, 0.0000744700000000, 0.0001734100000000 ] - [ -0.0001438600000000, 0.0000807500000000, -0.0000992500000000 ] - [ -0.0024983500000000, 0.0005858300000000, 0.0003620600000000 ] - [ 0.0019113100000000, 0.0005800400000000, -0.0013235800000000 ] - [ -0.0003005500000000, 0.0003561500000000, -0.0004706400000000 ] - [ -0.0004079700000000, -0.0000870400000000, -0.0006150200000000 ] - [ -0.0001927600000000, -0.0000948600000000, -0.0003343100000000 ] - [ -0.0003012800000000, 0.0001650900000000, -0.0004743400000000 ] - [ 0.0021337600000000, 0.0005865500000000, -0.0008124600000000 ] - [ -0.0022664700000000, 0.0005780800000000, 0.0008754600000000 ] - [ -0.0000514800000000, 0.0003534900000000, 0.0000303400000000 ] - [ 0.0000624600000000, -0.0000891800000000, 0.0001675500000000 ] - [ -0.0001627000000000, -0.0000940800000000, -0.0001111800000000 ] - [ -0.0000548800000000, 0.0001665600000000, 0.0000273800000000 ] - [ -0.0004425200000000, -0.0000787900000000, -0.0000001900000000 ] - [ -0.0004436100000000, -0.0000812600000000, 0.0000007500000000 ] - [ -0.0004475500000000, 0.0001156800000000, 0.0000001600000000 ] - [ -0.0004488900000000, -0.0000275400000000, -0.0000038400000000 ] - [ -0.0004461800000000, -0.0000284100000000, -0.0000002400000000 ] - [ -0.0004421600000000, 0.0000594700000000, 0.0000024700000000 ] - [ 0.0002832600000000, -0.0000644900000000, -0.0000122600000000 ] - [ 0.0001660100000000, 0.0001003200000000, 0.0000451900000000 ] - [ 0.0003873200000000, 0.0001032300000000, -0.0000618600000000 ] - [ 0.0002807200000000, -0.0000328400000000, -0.0000052700000000 ] - [ 0.0001822400000000, 0.0000765500000000, -0.0001435500000000 ] - [ 0.0003759200000000, 0.0000748000000000, 0.0001312200000000 ] - [ 0.0014407600000000, 0.0010151400000000, 0.0029158300000000 ] - [ -0.0015770100000000, 0.0010159000000000, -0.0028909000000000 ] - [ -0.0000547200000000, 0.0004126300000000, 0.0000308300000000 ] - [ 0.0001240400000000, -0.0000998400000000, -0.0000422800000000 ] - [ -0.0002407600000000, -0.0001014100000000, 0.0001056700000000 ] - [ -0.0000566500000000, 0.0001815500000000, 0.0000357200000000 ] - [ -0.0002876100000000, -0.0018932700000000, -0.0004655600000000 ] - [ -0.0004663600000000, 0.0002432000000000, -0.0005354400000000 ] - [ -0.0001396000000000, 0.0002479900000000, -0.0004154100000000 ] - [ -0.0003017200000000, -0.0000953400000000, -0.0004714400000000 ] - [ -0.0003580100000000, 0.0000451300000000, -0.0004849200000000 ] - [ -0.0002447200000000, 0.0000438300000000, -0.0004623700000000 ] - [ -0.0010899800000000, 0.0072642100000000, 0.0002796400000000 ] - [ -0.0010979500000000, -0.0007932200000000, -0.0002812500000000 ] - [ -0.0010422000000000, -0.0007787000000000, 0.0008536300000000 ] - [ -0.0010775200000000, 0.0003706600000000, 0.0002887300000000 ] - [ -0.0011505600000000, -0.0002195500000000, 0.0003722300000000 ] - [ -0.0009846900000000, -0.0002253800000000, 0.0002081800000000 ] - [ -0.0002643900000000, 0.0004240100000000, 0.0021093700000000 ] - [ 0.0006321400000000, 0.0004477700000000, -0.0005630000000000 ] - [ 0.0001786800000000, -0.0010059000000000, 0.0007810300000000 ] - [ 0.0006215500000000, 0.0004255300000000, -0.0005409200000000 ] - [ -0.0002688100000000, 0.0004493600000000, 0.0021185500000000 ] - [ 0.0001825400000000, -0.0010044400000000, 0.0007808100000000 ] - [ 0.0019233900000000, -0.0000473900000000, 0.0013865300000000 ] - [ -0.0006131700000000, -0.0000362700000000, -0.0005460600000000 ] - [ 0.0006637900000000, -0.0003328100000000, 0.0004208100000000 ] - [ 0.0006885700000000, 0.0000921900000000, 0.0004488300000000 ] - [ 0.0006396000000000, 0.0001066300000000, 0.0003987100000000 ] - [ 0.0006591900000000, -0.0002137200000000, 0.0004186600000000 ] - [ -0.0001396100000000, 0.0068032000000000, -0.0002690800000000 ] - [ -0.0004973600000000, -0.0006598800000000, 0.0000856600000000 ] - [ 0.0001805400000000, -0.0006582100000000, -0.0005770600000000 ] - [ -0.0001599400000000, 0.0003513400000000, -0.0002507200000000 ] - [ -0.0001981900000000, -0.0002106100000000, -0.0004008900000000 ] - [ -0.0001150700000000, -0.0002194600000000, -0.0000903600000000 ] - [ 0.0009530900000000, 0.0002010700000000, -0.0006923400000000 ] - [ 0.0012889400000000, 0.0002099300000000, -0.0003324200000000 ] - [ 0.0011108200000000, -0.0002716000000000, -0.0005123700000000 ] - [ 0.0011534500000000, 0.0002169600000000, -0.0003267200000000 ] - [ 0.0010807600000000, 0.0002177200000000, -0.0007096600000000 ] - [ 0.0011144500000000, -0.0002843200000000, -0.0005094800000000 ] - [ -0.0009021000000000, 0.0002036100000000, 0.0004741900000000 ] - [ -0.0012470300000000, 0.0002060200000000, 0.0001145000000000 ] - [ -0.0010717600000000, -0.0002703900000000, 0.0002940100000000 ] - [ -0.0011110200000000, 0.0002103400000000, 0.0001034300000000 ] - [ -0.0010338900000000, 0.0002161000000000, 0.0004855900000000 ] - [ -0.0010722900000000, -0.0002764600000000, 0.0002897400000000 ] - [ 0.0001813600000000, 0.0008750400000000, 0.0007817600000000 ] - [ 0.0001193500000000, -0.0004503500000000, 0.0006705100000000 ] - [ 0.0002402900000000, -0.0004554300000000, 0.0008888500000000 ] - [ 0.0001807500000000, 0.0008705600000000, 0.0007808600000000 ] - [ 0.0002375900000000, -0.0004489800000000, 0.0008915000000000 ] - [ 0.0001217200000000, -0.0004515100000000, 0.0006699700000000 ] - [ 0.0006437700000000, 0.0067855200000000, 0.0004448000000000 ] - [ 0.0010043400000000, -0.0006574600000000, 0.0000851500000000 ] - [ 0.0003267700000000, -0.0006588000000000, 0.0007507200000000 ] - [ 0.0006644000000000, 0.0003537200000000, 0.0004173700000000 ] - [ 0.0007078000000000, -0.0002145300000000, 0.0005737000000000 ] - [ 0.0006156800000000, -0.0002183000000000, 0.0002705900000000 ] - [ -0.0014159300000000, -0.0000449100000000, -0.0012123100000000 ] - [ 0.0011140700000000, -0.0000338800000000, 0.0007130000000000 ] - [ -0.0001576900000000, -0.0003343100000000, -0.0002443200000000 ] - [ -0.0001839800000000, 0.0000983900000000, -0.0002822800000000 ] - [ -0.0001323900000000, 0.0001031100000000, -0.0002232100000000 ] - [ -0.0001539500000000, -0.0002157000000000, -0.0002480900000000 ] - [ 0.0011386500000000, 0.0072707000000000, -0.0004995700000000 ] - [ 0.0011450400000000, -0.0007935300000000, 0.0000652100000000 ] - [ 0.0010886800000000, -0.0007798400000000, -0.0010840200000000 ] - [ 0.0011157000000000, 0.0003694600000000, -0.0005114700000000 ] - [ 0.0011992800000000, -0.0002202200000000, -0.0005920100000000 ] - [ 0.0010327100000000, -0.0002232600000000, -0.0004331400000000 ] - [ -0.0001358800000000, -0.0052298800000000, -0.0003602700000000 ] - [ -0.0004741400000000, 0.0013850000000000, 0.0005150800000000 ] - [ 0.0001615300000000, 0.0013899200000000, -0.0011246700000000 ] - [ -0.0001719200000000, -0.0052266500000000, -0.0002588800000000 ] - [ 0.0001634300000000, 0.0013819300000000, -0.0011383800000000 ] - [ -0.0004715600000000, 0.0013846800000000, 0.0005107600000000 ] - [ -0.0004413300000000, -0.0003737500000000, -0.0012271800000000 ] - [ 0.0001401600000000, -0.0003813600000000, 0.0006184900000000 ] - [ -0.0001518600000000, 0.0007158200000000, -0.0003137500000000 ] - [ 0.0001327100000000, -0.0003658900000000, 0.0006148400000000 ] - [ -0.0004408600000000, -0.0003802900000000, -0.0012367000000000 ] - [ -0.0001491100000000, 0.0007069600000000, -0.0003119800000000 ]- atom: 7 displacement: [ -0.0033530628758559, 0.0000000000000000, 0.0094210917281681 ] forces: - [ 0.0010680300000000, 0.0000000000000000, -0.0035538400000000 ] - [ 0.0000237200000000, 0.0000504800000000, -0.0004398600000000 ] - [ 0.0000237200000000, -0.0000504800000000, -0.0004398600000000 ] - [ -0.0002891300000000, 0.0000000000000000, 0.0011050500000000 ] - [ -0.0001374000000000, -0.0000526900000000, 0.0004966500000000 ] - [ -0.0001374000000000, 0.0000526900000000, 0.0004966500000000 ] - [ -0.0031392300000000, 0.0000000000000000, -0.0507305000000000 ] - [ -0.0002545400000000, -0.0000019500000000, -0.0007451200000000 ] - [ -0.0002545400000000, 0.0000019500000000, -0.0007451200000000 ] - [ -0.0008304800000000, 0.0000000000000000, 0.0013317100000000 ] - [ -0.0006041900000000, -0.0000002500000000, 0.0006318700000000 ] - [ -0.0006041900000000, 0.0000002500000000, 0.0006318700000000 ] - [ 0.0017954800000000, -0.0022213800000000, 0.0005866600000000 ] - [ 0.0017954800000000, 0.0022213800000000, 0.0005866600000000 ] - [ 0.0003868900000000, 0.0000000000000000, -0.0000743400000000 ] - [ -0.0002584800000000, 0.0003164000000000, 0.0003655900000000 ] - [ -0.0002584800000000, -0.0003164000000000, 0.0003655900000000 ] - [ 0.0001757400000000, 0.0000000000000000, 0.0000572700000000 ] - [ -0.0012690900000000, 0.0000000000000000, 0.0004194400000000 ] - [ -0.0001912800000000, -0.0001389800000000, -0.0000548000000000 ] - [ -0.0001912800000000, 0.0001389800000000, -0.0000548000000000 ] - [ 0.0007398000000000, 0.0000000000000000, 0.0011097000000000 ] - [ 0.0000760600000000, 0.0001415000000000, 0.0001248000000000 ] - [ 0.0000760600000000, -0.0001415000000000, 0.0001248000000000 ] - [ -0.0017172200000000, 0.0018630800000000, -0.0012431600000000 ] - [ -0.0017172200000000, -0.0018630800000000, -0.0012431600000000 ] - [ -0.0003828500000000, 0.0000000000000000, -0.0007468200000000 ] - [ 0.0000174700000000, -0.0003021800000000, 0.0003522300000000 ] - [ 0.0000174700000000, 0.0003021800000000, 0.0003522300000000 ] - [ -0.0002150000000000, 0.0000000000000000, -0.0002289300000000 ] - [ -0.0014818500000000, -0.0018636000000000, -0.0007283200000000 ] - [ -0.0014818500000000, 0.0018636000000000, -0.0007283200000000 ] - [ -0.0001496400000000, 0.0000000000000000, -0.0002278300000000 ] - [ 0.0002490500000000, 0.0003028600000000, 0.0008710900000000 ] - [ 0.0002490500000000, -0.0003028600000000, 0.0008710900000000 ] - [ 0.0000219800000000, 0.0000000000000000, 0.0002923100000000 ] - [ -0.0006598000000000, -0.0000004100000000, -0.0005999400000000 ] - [ -0.0006598000000000, 0.0000004100000000, -0.0005999400000000 ] - [ -0.0004553700000000, 0.0000000000000000, -0.0002599100000000 ] - [ -0.0003977000000000, 0.0000004600000000, 0.0005452600000000 ] - [ -0.0003977000000000, -0.0000004600000000, 0.0005452600000000 ] - [ -0.0004317900000000, 0.0000000000000000, 0.0002607900000000 ] - [ -0.0009329500000000, 0.0000000000000000, 0.0003853200000000 ] - [ 0.0001424800000000, 0.0001387600000000, -0.0000913900000000 ] - [ 0.0001424800000000, -0.0001387600000000, -0.0000913900000000 ] - [ 0.0010743000000000, 0.0000000000000000, 0.0010773800000000 ] - [ 0.0004106000000000, -0.0001417300000000, 0.0000905800000000 ] - [ 0.0004106000000000, 0.0001417300000000, 0.0000905800000000 ] - [ 0.0014566100000000, 0.0022167200000000, 0.0006270500000000 ] - [ 0.0014566100000000, -0.0022167200000000, 0.0006270500000000 ] - [ 0.0000533500000000, 0.0000000000000000, -0.0000389900000000 ] - [ -0.0005947300000000, -0.0003144500000000, 0.0004010300000000 ] - [ -0.0005947300000000, 0.0003144500000000, 0.0004010300000000 ] - [ -0.0001587400000000, 0.0000000000000000, 0.0000927200000000 ] - [ 0.0008663900000000, 0.0000000000000000, -0.0040669500000000 ] - [ -0.0002093600000000, -0.0000514200000000, -0.0009602700000000 ] - [ -0.0002093600000000, 0.0000514200000000, -0.0009602700000000 ] - [ -0.0005220100000000, 0.0000000000000000, 0.0005841400000000 ] - [ -0.0003726400000000, 0.0000513000000000, -0.0000236500000000 ] - [ -0.0003726400000000, -0.0000513000000000, -0.0000236500000000 ] - [ 0.0004382100000000, 0.0000000000000000, 0.0088274800000000 ] - [ -0.0014962500000000, -0.0006174800000000, 0.0006499600000000 ] - [ -0.0014962500000000, 0.0006174800000000, 0.0006499600000000 ] - [ 0.0001667900000000, 0.0000000000000000, -0.0017117800000000 ] - [ -0.0005669900000000, 0.0004918200000000, -0.0001578000000000 ] - [ -0.0005669900000000, -0.0004918200000000, -0.0001578000000000 ] - [ 0.0007782200000000, 0.0037427300000000, -0.0008654700000000 ] - [ 0.0007782200000000, -0.0037427300000000, -0.0008654700000000 ] - [ 0.0001908700000000, 0.0000000000000000, 0.0007584900000000 ] - [ 0.0007723900000000, -0.0037319800000000, -0.0008585900000000 ] - [ 0.0007723900000000, 0.0037319800000000, -0.0008585900000000 ] - [ 0.0001918400000000, 0.0000000000000000, 0.0007555300000000 ] - [ 0.0005293400000000, 0.0001042400000000, 0.0021079300000000 ] - [ 0.0005293400000000, -0.0001042400000000, 0.0021079300000000 ] - [ 0.0006962800000000, 0.0000000000000000, 0.0009586100000000 ] - [ 0.0005339000000000, -0.0000627800000000, -0.0005850700000000 ] - [ 0.0005339000000000, 0.0000627800000000, -0.0005850700000000 ] - [ 0.0006323700000000, 0.0000000000000000, -0.0001074200000000 ] - [ 0.0056213200000000, 0.0000000000000000, -0.0000023800000000 ] - [ 0.0001226700000000, 0.0005529300000000, 0.0005387600000000 ] - [ 0.0001226700000000, -0.0005529300000000, 0.0005387600000000 ] - [ -0.0002734800000000, 0.0000000000000000, -0.0030203000000000 ] - [ -0.0004474900000000, -0.0004494700000000, -0.0011506400000000 ] - [ -0.0004474900000000, 0.0004494700000000, -0.0011506400000000 ] - [ 0.0022674300000000, -0.0006353400000000, -0.0006830400000000 ] - [ 0.0022674300000000, 0.0006353400000000, -0.0006830400000000 ] - [ 0.0013115400000000, 0.0000000000000000, -0.0004213600000000 ] - [ 0.0001507700000000, 0.0006782900000000, -0.0010347600000000 ] - [ 0.0001507700000000, -0.0006782900000000, -0.0010347600000000 ] - [ 0.0009235600000000, 0.0000000000000000, -0.0006215600000000 ] - [ 0.0000826700000000, 0.0006342100000000, 0.0001196600000000 ] - [ 0.0000826700000000, -0.0006342100000000, 0.0001196600000000 ] - [ -0.0008744300000000, 0.0000000000000000, 0.0003834500000000 ] - [ -0.0020335100000000, -0.0006798000000000, -0.0002335200000000 ] - [ -0.0020335100000000, 0.0006798000000000, -0.0002335200000000 ] - [ -0.0012635400000000, 0.0000000000000000, 0.0001787400000000 ] - [ -0.0002086700000000, 0.0000000000000000, 0.0006615000000000 ] - [ 0.0002005700000000, -0.0003236000000000, 0.0007841900000000 ] - [ 0.0002005700000000, 0.0003236000000000, 0.0007841900000000 ] - [ -0.0002080600000000, 0.0000000000000000, 0.0006587900000000 ] - [ 0.0001999200000000, 0.0003258200000000, 0.0007831800000000 ] - [ 0.0001999200000000, -0.0003258200000000, 0.0007831800000000 ] - [ 0.0063487700000000, 0.0000000000000000, 0.0007764700000000 ] - [ 0.0009509200000000, -0.0005534500000000, 0.0012182300000000 ] - [ 0.0009509200000000, 0.0005534500000000, 0.0012182300000000 ] - [ 0.0005592200000000, 0.0000000000000000, -0.0023469900000000 ] - [ 0.0003813400000000, 0.0004485700000000, -0.0004754700000000 ] - [ 0.0003813400000000, -0.0004485700000000, -0.0004754700000000 ] - [ -0.0003030800000000, -0.0001068400000000, 0.0014276600000000 ] - [ -0.0003030800000000, 0.0001068400000000, 0.0014276600000000 ] - [ -0.0001332400000000, 0.0000000000000000, 0.0002815400000000 ] - [ -0.0002940300000000, 0.0000615500000000, -0.0012595900000000 ] - [ -0.0002940300000000, -0.0000615500000000, -0.0012595900000000 ] - [ -0.0001941100000000, 0.0000000000000000, -0.0007817200000000 ] - [ 0.0023156600000000, 0.0000000000000000, 0.0074207400000000 ] - [ 0.0006908100000000, 0.0006164800000000, -0.0001551500000000 ] - [ 0.0006908100000000, -0.0006164800000000, -0.0001551500000000 ] - [ 0.0023543400000000, 0.0000000000000000, -0.0025083300000000 ] - [ 0.0016186100000000, -0.0004913400000000, -0.0009608600000000 ] - [ 0.0016186100000000, 0.0004913400000000, -0.0009608600000000 ] - [ -0.0081905500000000, 0.0000000000000000, 0.0235682200000000 ] - [ -0.0001817700000000, 0.0029955500000000, -0.0002471800000000 ] - [ -0.0001817700000000, -0.0029955500000000, -0.0002471800000000 ] - [ -0.0080805400000000, 0.0000000000000000, 0.0232878300000000 ] - [ -0.0001847200000000, -0.0029848200000000, -0.0002449800000000 ] - [ -0.0001847200000000, 0.0029848200000000, -0.0002449800000000 ] - [ 0.0000473900000000, -0.0007553700000000, -0.0002555100000000 ] - [ 0.0000473900000000, 0.0007553700000000, -0.0002555100000000 ] - [ -0.0001281600000000, 0.0000000000000000, -0.0003092800000000 ] - [ 0.0000485300000000, 0.0007593600000000, -0.0002513700000000 ] - [ 0.0000485300000000, -0.0007593600000000, -0.0002513700000000 ] - [ -0.0001260200000000, 0.0000000000000000, -0.0003077100000000 ]- atom: 7 displacement: [ 0.0033530628758559, 0.0000000000000000, -0.0094210917281681 ] forces: - [ -0.0012238400000000, 0.0000000000000000, 0.0036180800000000 ] - [ -0.0001424300000000, -0.0000511400000000, 0.0005155900000000 ] - [ -0.0001424300000000, 0.0000511400000000, 0.0005155900000000 ] - [ 0.0001681500000000, 0.0000000000000000, -0.0010299100000000 ] - [ 0.0000190100000000, 0.0000512100000000, -0.0004208400000000 ] - [ 0.0000190100000000, -0.0000512100000000, -0.0004208400000000 ] - [ 0.0022564700000000, 0.0000000000000000, 0.0507505400000000 ] - [ -0.0006377600000000, -0.0000016600000000, 0.0007453400000000 ] - [ -0.0006377600000000, 0.0000016600000000, 0.0007453400000000 ] - [ -0.0000612300000000, 0.0000000000000000, -0.0013324500000000 ] - [ -0.0002877000000000, 0.0000002400000000, -0.0006318300000000 ] - [ -0.0002877000000000, -0.0000002400000000, -0.0006318300000000 ] - [ -0.0012356600000000, 0.0022189000000000, -0.0006072900000000 ] - [ -0.0012356600000000, -0.0022189000000000, -0.0006072900000000 ] - [ 0.0001697600000000, 0.0000000000000000, 0.0000613700000000 ] - [ 0.0008177200000000, -0.0003157500000000, -0.0003795200000000 ] - [ 0.0008177200000000, 0.0003157500000000, -0.0003795200000000 ] - [ 0.0003792700000000, 0.0000000000000000, -0.0000721800000000 ] - [ 0.0011570600000000, 0.0000000000000000, -0.0003629500000000 ] - [ 0.0000785800000000, 0.0001388400000000, 0.0001142300000000 ] - [ 0.0000785800000000, -0.0001388400000000, 0.0001142300000000 ] - [ -0.0008519600000000, 0.0000000000000000, -0.0010530000000000 ] - [ -0.0001900600000000, -0.0001408100000000, -0.0000698400000000 ] - [ -0.0001900600000000, 0.0001408100000000, -0.0000698400000000 ] - [ 0.0011327600000000, -0.0018664400000000, 0.0002850300000000 ] - [ 0.0011327600000000, 0.0018664400000000, 0.0002850300000000 ] - [ -0.0002034800000000, 0.0000000000000000, -0.0002185400000000 ] - [ -0.0006020000000000, 0.0003034500000000, -0.0013165700000000 ] - [ -0.0006020000000000, -0.0003034500000000, -0.0013165700000000 ] - [ -0.0003740200000000, 0.0000000000000000, -0.0007383700000000 ] - [ 0.0013639200000000, 0.0018594200000000, 0.0007980500000000 ] - [ 0.0013639200000000, -0.0018594200000000, 0.0007980500000000 ] - [ 0.0000299800000000, 0.0000000000000000, 0.0003004700000000 ] - [ -0.0003724400000000, -0.0003016100000000, -0.0007983700000000 ] - [ -0.0003724400000000, 0.0003016100000000, -0.0007983700000000 ] - [ -0.0001393300000000, 0.0000000000000000, -0.0002155100000000 ] - [ -0.0002329000000000, 0.0000000800000000, 0.0005998900000000 ] - [ -0.0002329000000000, -0.0000000800000000, 0.0005998900000000 ] - [ -0.0004359100000000, 0.0000000000000000, 0.0002595200000000 ] - [ -0.0004939800000000, 0.0000001100000000, -0.0005452000000000 ] - [ -0.0004939800000000, -0.0000001100000000, -0.0005452000000000 ] - [ -0.0004610200000000, 0.0000000000000000, -0.0002623300000000 ] - [ 0.0014904700000000, 0.0000000000000000, -0.0003960500000000 ] - [ 0.0004141600000000, -0.0001384100000000, 0.0000775800000000 ] - [ 0.0004141600000000, 0.0001384100000000, 0.0000775800000000 ] - [ -0.0005174000000000, 0.0000000000000000, -0.0010893100000000 ] - [ 0.0001446800000000, 0.0001413400000000, -0.0001028800000000 ] - [ 0.0001446800000000, -0.0001413400000000, -0.0001028800000000 ] - [ -0.0015729200000000, -0.0022183800000000, -0.0005624200000000 ] - [ -0.0015729200000000, 0.0022183800000000, -0.0005624200000000 ] - [ -0.0001650100000000, 0.0000000000000000, 0.0000968600000000 ] - [ 0.0004805800000000, 0.0003166200000000, -0.0003424800000000 ] - [ 0.0004805800000000, -0.0003166200000000, -0.0003424800000000 ] - [ 0.0000462600000000, 0.0000000000000000, -0.0000360000000000 ] - [ -0.0014175500000000, 0.0000000000000000, 0.0031111000000000 ] - [ -0.0003753300000000, 0.0000521200000000, -0.0000041700000000 ] - [ -0.0003753300000000, -0.0000521200000000, -0.0000041700000000 ] - [ -0.0000650900000000, 0.0000000000000000, -0.0015505100000000 ] - [ -0.0002167000000000, -0.0000527200000000, -0.0009419400000000 ] - [ -0.0002167000000000, 0.0000527200000000, -0.0009419400000000 ] - [ -0.0023001600000000, 0.0000000000000000, -0.0076978700000000 ] - [ -0.0006473700000000, 0.0006165600000000, -0.0000632800000000 ] - [ -0.0006473700000000, -0.0006165600000000, -0.0000632800000000 ] - [ -0.0023107600000000, 0.0000000000000000, 0.0022895100000000 ] - [ -0.0015710500000000, -0.0004935400000000, 0.0007371300000000 ] - [ -0.0015710500000000, 0.0004935400000000, 0.0007371300000000 ] - [ -0.0004156400000000, -0.0037365600000000, 0.0024192900000000 ] - [ -0.0004156400000000, 0.0037365600000000, 0.0024192900000000 ] - [ 0.0001679500000000, 0.0000000000000000, 0.0008069300000000 ] - [ -0.0004139600000000, 0.0037390100000000, 0.0024273800000000 ] - [ -0.0004139600000000, -0.0037390100000000, 0.0024273800000000 ] - [ 0.0001693200000000, 0.0000000000000000, 0.0008042300000000 ] - [ 0.0008088500000000, -0.0001049600000000, -0.0012583800000000 ] - [ 0.0008088500000000, 0.0001049600000000, -0.0012583800000000 ] - [ 0.0006397600000000, 0.0000000000000000, -0.0001079200000000 ] - [ 0.0007989600000000, 0.0000608700000000, 0.0014338500000000 ] - [ 0.0007989600000000, -0.0000608700000000, 0.0014338500000000 ] - [ 0.0007012900000000, 0.0000000000000000, 0.0009548400000000 ] - [ -0.0057686000000000, 0.0000000000000000, -0.0006412900000000 ] - [ -0.0004446100000000, -0.0005534000000000, -0.0010452800000000 ] - [ -0.0004446100000000, 0.0005534000000000, -0.0010452800000000 ] - [ -0.0000537800000000, 0.0000000000000000, 0.0025203600000000 ] - [ 0.0001263800000000, 0.0004475200000000, 0.0006502100000000 ] - [ 0.0001263800000000, -0.0004475200000000, 0.0006502100000000 ] - [ -0.0000428100000000, 0.0006351800000000, -0.0003398800000000 ] - [ -0.0000428100000000, -0.0006351800000000, -0.0003398800000000 ] - [ 0.0009177900000000, 0.0000000000000000, -0.0006014100000000 ] - [ 0.0020785600000000, -0.0006799800000000, 0.0000124100000000 ] - [ 0.0020785600000000, 0.0006799800000000, 0.0000124100000000 ] - [ 0.0013079700000000, 0.0000000000000000, -0.0003992600000000 ] - [ -0.0022236400000000, -0.0006346500000000, 0.0004614400000000 ] - [ -0.0022236400000000, 0.0006346500000000, 0.0004614400000000 ] - [ -0.0012694900000000, 0.0000000000000000, 0.0002041600000000 ] - [ -0.0001062500000000, 0.0006786800000000, 0.0008138900000000 ] - [ -0.0001062500000000, -0.0006786800000000, 0.0008138900000000 ] - [ -0.0008788000000000, 0.0000000000000000, 0.0004002000000000 ] - [ 0.0005689400000000, 0.0000000000000000, 0.0009011100000000 ] - [ 0.0001598700000000, 0.0003248700000000, 0.0007786300000000 ] - [ 0.0001598700000000, -0.0003248700000000, 0.0007786300000000 ] - [ 0.0005681800000000, 0.0000000000000000, 0.0009026600000000 ] - [ 0.0001586000000000, -0.0003244900000000, 0.0007775300000000 ] - [ 0.0001586000000000, 0.0003244900000000, 0.0007775300000000 ] - [ -0.0051841500000000, 0.0000000000000000, 0.0002119800000000 ] - [ 0.0003822600000000, 0.0005512400000000, -0.0003674500000000 ] - [ 0.0003822600000000, -0.0005512400000000, -0.0003674500000000 ] - [ 0.0007796000000000, 0.0000000000000000, 0.0031914700000000 ] - [ 0.0009554100000000, -0.0004500700000000, 0.0013250500000000 ] - [ 0.0009554100000000, 0.0004500700000000, 0.0013250500000000 ] - [ -0.0000238600000000, 0.0001048100000000, -0.0019336800000000 ] - [ -0.0000238600000000, -0.0001048100000000, -0.0019336800000000 ] - [ -0.0001917300000000, 0.0000000000000000, -0.0007875600000000 ] - [ -0.0000282200000000, -0.0000614400000000, 0.0007583100000000 ] - [ -0.0000282200000000, 0.0000614400000000, 0.0007583100000000 ] - [ -0.0001257800000000, 0.0000000000000000, 0.0002801200000000 ] - [ -0.0003641100000000, 0.0000000000000000, -0.0089891800000000 ] - [ 0.0015389700000000, -0.0006174800000000, -0.0008695300000000 ] - [ 0.0015389700000000, 0.0006174800000000, -0.0008695300000000 ] - [ -0.0001212200000000, 0.0000000000000000, 0.0014887100000000 ] - [ 0.0006127000000000, 0.0004938800000000, -0.0000635100000000 ] - [ 0.0006127000000000, -0.0004938800000000, -0.0000635100000000 ] - [ 0.0077820300000000, 0.0000000000000000, -0.0238734600000000 ] - [ -0.0001244100000000, -0.0029849500000000, -0.0003807300000000 ] - [ -0.0001244100000000, 0.0029849500000000, -0.0003807300000000 ] - [ 0.0078724400000000, 0.0000000000000000, -0.0242264300000000 ] - [ -0.0001266600000000, 0.0029946400000000, -0.0003714100000000 ] - [ -0.0001266600000000, -0.0029946400000000, -0.0003714100000000 ] - [ -0.0003549200000000, 0.0007571200000000, -0.0003687400000000 ] - [ -0.0003549200000000, -0.0007571200000000, -0.0003687400000000 ] - [ -0.0001807200000000, 0.0000000000000000, -0.0003180400000000 ] - [ -0.0003536600000000, -0.0007556900000000, -0.0003667900000000 ] - [ -0.0003536600000000, 0.0007556900000000, -0.0003667900000000 ] - [ -0.0001776100000000, 0.0000000000000000, -0.0003123600000000 ]- atom: 13 displacement: [ 0.0099999834948202, 0.0000000000000000, 0.0000181687457952 ] forces: - [ -0.0005785900000000, 0.0038324300000000, -0.0013582800000000 ] - [ -0.0001799800000000, 0.0000000000000000, 0.0000584700000000 ] - [ -0.0005785900000000, -0.0038324300000000, -0.0013582800000000 ] - [ -0.0003075800000000, 0.0001682000000000, -0.0003176400000000 ] - [ -0.0000686500000000, 0.0000000000000000, -0.0000211900000000 ] - [ -0.0003075800000000, -0.0001682000000000, -0.0003176400000000 ] - [ -0.0006888000000000, -0.0015124400000000, 0.0015232600000000 ] - [ -0.0004893900000000, 0.0000000000000000, 0.0001004400000000 ] - [ -0.0006888000000000, 0.0015124400000000, 0.0015232600000000 ] - [ -0.0002561800000000, -0.0001825400000000, -0.0005017700000000 ] - [ -0.0003939200000000, 0.0000000000000000, -0.0000895400000000 ] - [ -0.0002561800000000, 0.0001825400000000, -0.0005017700000000 ] - [ -0.0381905800000000, 0.0000000000000000, -0.0065311800000000 ] - [ 0.0000062200000000, -0.0004319300000000, -0.0000718600000000 ] - [ 0.0000062200000000, 0.0004319300000000, -0.0000718600000000 ] - [ 0.0001051100000000, 0.0000000000000000, -0.0002274900000000 ] - [ 0.0002828700000000, -0.0000105000000000, -0.0000751400000000 ] - [ 0.0002828700000000, 0.0000105000000000, -0.0000751400000000 ] - [ -0.0000885700000000, 0.0002192100000000, -0.0002321700000000 ] - [ -0.0000454400000000, 0.0000000000000000, 0.0000073200000000 ] - [ -0.0000885700000000, -0.0002192100000000, -0.0002321700000000 ] - [ -0.0018417300000000, 0.0023439600000000, 0.0008574700000000 ] - [ -0.0001834700000000, 0.0000000000000000, -0.0000066700000000 ] - [ -0.0018417300000000, -0.0023439600000000, 0.0008574700000000 ] - [ -0.0010003500000000, 0.0000000000000000, -0.0026464900000000 ] - [ -0.0003634800000000, 0.0000238800000000, -0.0005282300000000 ] - [ -0.0003634800000000, -0.0000238800000000, -0.0005282300000000 ] - [ -0.0028338200000000, 0.0000000000000000, -0.0029513100000000 ] - [ -0.0005473100000000, -0.0002709500000000, -0.0005394200000000 ] - [ -0.0005473100000000, 0.0002709500000000, -0.0005394200000000 ] - [ 0.0025990600000000, 0.0000000000000000, 0.0011138300000000 ] - [ 0.0002245700000000, -0.0003686500000000, 0.0000745500000000 ] - [ 0.0002245700000000, 0.0003686500000000, 0.0000745500000000 ] - [ 0.0001644300000000, 0.0000000000000000, 0.0003243900000000 ] - [ -0.0000075400000000, -0.0000434600000000, 0.0001185500000000 ] - [ -0.0000075400000000, 0.0000434600000000, 0.0001185500000000 ] - [ 0.0009222400000000, 0.0000000000000000, -0.0007975500000000 ] - [ -0.0003429800000000, 0.0001082200000000, -0.0001068300000000 ] - [ -0.0003429800000000, -0.0001082200000000, -0.0001068300000000 ] - [ -0.0001548000000000, 0.0000000000000000, 0.0009496300000000 ] - [ -0.0005223900000000, 0.0000933500000000, 0.0001150700000000 ] - [ -0.0005223900000000, -0.0000933500000000, 0.0001150700000000 ] - [ 0.0013839500000000, 0.0002179000000000, 0.0000677300000000 ] - [ 0.0004004600000000, 0.0000000000000000, 0.0000220000000000 ] - [ 0.0013839500000000, -0.0002179000000000, 0.0000677300000000 ] - [ 0.0003745000000000, 0.0000746100000000, 0.0001111300000000 ] - [ 0.0002602300000000, 0.0000000000000000, 0.0000255100000000 ] - [ 0.0003745000000000, -0.0000746100000000, 0.0001111300000000 ] - [ 0.0000972100000000, 0.0000000000000000, 0.0004208400000000 ] - [ -0.0000579200000000, -0.0000588800000000, 0.0001070400000000 ] - [ -0.0000579200000000, 0.0000588800000000, 0.0001070400000000 ] - [ 0.0020566800000000, 0.0000000000000000, -0.0002016700000000 ] - [ 0.0002416700000000, -0.0002381700000000, 0.0000678300000000 ] - [ 0.0002416700000000, 0.0002381700000000, 0.0000678300000000 ] - [ -0.0000354400000000, 0.0000468200000000, -0.0000055600000000 ] - [ -0.0002800700000000, 0.0000000000000000, -0.0004271200000000 ] - [ -0.0000354400000000, -0.0000468200000000, -0.0000055600000000 ] - [ 0.0004535200000000, 0.0002135400000000, -0.0003457500000000 ] - [ -0.0001841700000000, 0.0000000000000000, -0.0005099800000000 ] - [ 0.0004535200000000, -0.0002135400000000, -0.0003457500000000 ] - [ 0.0050203700000000, 0.0019479300000000, 0.0004890000000000 ] - [ -0.0007685100000000, 0.0000000000000000, 0.0002177200000000 ] - [ 0.0050203700000000, -0.0019479300000000, 0.0004890000000000 ] - [ -0.0011697600000000, -0.0000400000000000, 0.0006853800000000 ] - [ -0.0011384100000000, 0.0000000000000000, 0.0003677900000000 ] - [ -0.0011697600000000, 0.0000400000000000, 0.0006853800000000 ] - [ -0.0064132500000000, 0.0000000000000000, 0.0053486400000000 ] - [ 0.0001610300000000, 0.0008907000000000, 0.0008307200000000 ] - [ 0.0001610300000000, -0.0008907000000000, 0.0008307200000000 ] - [ 0.0003336100000000, 0.0000000000000000, 0.0008163600000000 ] - [ 0.0002289900000000, -0.0000870400000000, 0.0008061300000000 ] - [ 0.0002289900000000, 0.0000870400000000, 0.0008061300000000 ] - [ 0.0011111700000000, 0.0000000000000000, 0.0003719500000000 ] - [ 0.0011872800000000, -0.0002838800000000, 0.0005904800000000 ] - [ 0.0011872800000000, 0.0002838800000000, 0.0005904800000000 ] - [ 0.0011935500000000, 0.0000000000000000, 0.0003129200000000 ] - [ 0.0008262600000000, 0.0000401500000000, 0.0006382500000000 ] - [ 0.0008262600000000, -0.0000401500000000, 0.0006382500000000 ] - [ 0.0007237400000000, -0.0004562000000000, 0.0004000500000000 ] - [ -0.0000779300000000, 0.0000000000000000, -0.0002064900000000 ] - [ 0.0007237400000000, 0.0004562000000000, 0.0004000500000000 ] - [ 0.0008871100000000, 0.0009949400000000, 0.0010315100000000 ] - [ 0.0000296800000000, 0.0000000000000000, -0.0000679800000000 ] - [ 0.0008871100000000, -0.0009949400000000, 0.0010315100000000 ] - [ 0.0003982600000000, 0.0000000000000000, 0.0005735800000000 ] - [ 0.0010053500000000, -0.0000977400000000, -0.0003934800000000 ] - [ 0.0010053500000000, 0.0000977400000000, -0.0003934800000000 ] - [ 0.0061541900000000, 0.0000000000000000, -0.0010463300000000 ] - [ 0.0018434600000000, -0.0001828500000000, -0.0005250900000000 ] - [ 0.0018434600000000, 0.0001828500000000, -0.0005250900000000 ] - [ -0.0048872700000000, 0.0000000000000000, -0.0000114100000000 ] - [ -0.0018004700000000, -0.0002149300000000, 0.0004967900000000 ] - [ -0.0018004700000000, 0.0002149300000000, 0.0004967900000000 ] - [ -0.0010750100000000, 0.0000000000000000, -0.0001657900000000 ] - [ -0.0010144300000000, -0.0000445300000000, 0.0001729500000000 ] - [ -0.0010144300000000, 0.0000445300000000, 0.0001729500000000 ] - [ -0.0009544400000000, -0.0034223000000000, 0.0001466600000000 ] - [ 0.0001838700000000, 0.0000000000000000, 0.0007864400000000 ] - [ -0.0009544400000000, 0.0034223000000000, 0.0001466600000000 ] - [ 0.0000795500000000, -0.0003449700000000, 0.0007631900000000 ] - [ 0.0001648400000000, 0.0000000000000000, 0.0007773900000000 ] - [ 0.0000795500000000, 0.0003449700000000, 0.0007631900000000 ] - [ -0.0006320200000000, 0.0015149200000000, -0.0002373200000000 ] - [ 0.0004453300000000, 0.0000000000000000, 0.0002695900000000 ] - [ -0.0006320200000000, -0.0015149200000000, -0.0002373200000000 ] - [ 0.0004419600000000, -0.0000712200000000, 0.0003519600000000 ] - [ 0.0005948100000000, 0.0000000000000000, 0.0003551700000000 ] - [ 0.0004419600000000, 0.0000712200000000, 0.0003519600000000 ] - [ -0.0009652100000000, 0.0000000000000000, -0.0007209800000000 ] - [ -0.0003716100000000, 0.0000813700000000, -0.0005098500000000 ] - [ -0.0003716100000000, -0.0000813700000000, -0.0005098500000000 ] - [ -0.0016824300000000, 0.0000000000000000, -0.0009204000000000 ] - [ -0.0005498600000000, -0.0002931300000000, -0.0005790100000000 ] - [ -0.0005498600000000, 0.0002931300000000, -0.0005790100000000 ] - [ 0.0013836500000000, 0.0001307500000000, -0.0010452600000000 ] - [ 0.0011945900000000, 0.0000000000000000, -0.0006110500000000 ] - [ 0.0013836500000000, -0.0001307500000000, -0.0010452600000000 ] - [ -0.0005053200000000, 0.0011275800000000, 0.0000386300000000 ] - [ 0.0007977800000000, 0.0000000000000000, -0.0004212800000000 ] - [ -0.0005053200000000, -0.0011275800000000, 0.0000386300000000 ] - [ 0.0054253600000000, -0.0145043900000000, -0.0038060400000000 ] - [ -0.0000804300000000, 0.0000000000000000, -0.0003626600000000 ] - [ 0.0054253600000000, 0.0145043900000000, -0.0038060400000000 ] - [ -0.0005539600000000, -0.0000539900000000, -0.0004981500000000 ] - [ -0.0001525700000000, 0.0000000000000000, -0.0002612400000000 ] - [ -0.0005539600000000, 0.0000539900000000, -0.0004981500000000 ] - [ 0.0242801400000000, 0.0000000000000000, 0.0098459700000000 ] - [ -0.0003113900000000, 0.0024558700000000, -0.0003780700000000 ] - [ -0.0003113900000000, -0.0024558700000000, -0.0003780700000000 ] - [ 0.0005953500000000, 0.0000000000000000, -0.0001291800000000 ] - [ -0.0000981000000000, 0.0002829000000000, -0.0002949000000000 ] - [ -0.0000981000000000, -0.0002829000000000, -0.0002949000000000 ]- atom: 13 displacement: [ -0.0099999834948202, 0.0000000000000000, -0.0000181687457952 ] forces: - [ 0.0004457300000000, -0.0038155800000000, 0.0014177900000000 ] - [ 0.0000622400000000, 0.0000000000000000, 0.0000137300000000 ] - [ 0.0004457300000000, 0.0038155800000000, 0.0014177900000000 ] - [ 0.0001879700000000, -0.0001705000000000, 0.0003887800000000 ] - [ -0.0000482300000000, 0.0000000000000000, 0.0000957000000000 ] - [ 0.0001879700000000, 0.0001705000000000, 0.0003887800000000 ] - [ -0.0001909100000000, 0.0015143900000000, -0.0015216300000000 ] - [ -0.0004021300000000, 0.0000000000000000, -0.0001005500000000 ] - [ -0.0001909100000000, -0.0015143900000000, -0.0015216300000000 ] - [ -0.0006351400000000, 0.0001831500000000, 0.0005031700000000 ] - [ -0.0004988000000000, 0.0000000000000000, 0.0000887600000000 ] - [ -0.0006351400000000, -0.0001831500000000, 0.0005031700000000 ] - [ 0.0381965500000000, 0.0000000000000000, 0.0064359100000000 ] - [ 0.0005495500000000, 0.0004288400000000, 0.0000554500000000 ] - [ 0.0005495500000000, -0.0004288400000000, 0.0000554500000000 ] - [ 0.0004552400000000, 0.0000000000000000, 0.0002129300000000 ] - [ 0.0002740400000000, 0.0000103600000000, 0.0000614200000000 ] - [ 0.0002740400000000, -0.0000103600000000, 0.0000614200000000 ] - [ -0.0000268800000000, -0.0002185800000000, 0.0002933200000000 ] - [ -0.0000706100000000, 0.0000000000000000, 0.0000521100000000 ] - [ -0.0000268800000000, 0.0002185800000000, 0.0002933200000000 ] - [ 0.0017074700000000, -0.0023613300000000, -0.0008071900000000 ] - [ 0.0000699000000000, 0.0000000000000000, 0.0000643100000000 ] - [ 0.0017074700000000, 0.0023613300000000, -0.0008071900000000 ] - [ 0.0004041400000000, 0.0000000000000000, 0.0016862400000000 ] - [ -0.0002260100000000, -0.0000252800000000, -0.0004335900000000 ] - [ -0.0002260100000000, 0.0000252800000000, -0.0004335900000000 ] - [ 0.0022654600000000, 0.0000000000000000, 0.0019790300000000 ] - [ -0.0000412800000000, 0.0002692100000000, -0.0004257600000000 ] - [ -0.0000412800000000, -0.0002692100000000, -0.0004257600000000 ] - [ -0.0027398000000000, 0.0000000000000000, -0.0010508200000000 ] - [ -0.0003430100000000, 0.0003701900000000, -0.0000009800000000 ] - [ -0.0003430100000000, -0.0003701900000000, -0.0000009800000000 ] - [ -0.0002849900000000, 0.0000000000000000, -0.0002526200000000 ] - [ -0.0001124000000000, 0.0000422000000000, -0.0000441100000000 ] - [ -0.0001124000000000, -0.0000422000000000, -0.0000441100000000 ] - [ -0.0018149200000000, 0.0000000000000000, 0.0007984400000000 ] - [ -0.0005504800000000, -0.0001075600000000, 0.0001059600000000 ] - [ -0.0005504800000000, 0.0001075600000000, 0.0001059600000000 ] - [ -0.0007385900000000, 0.0000000000000000, -0.0009519000000000 ] - [ -0.0003689900000000, -0.0000931700000000, -0.0001143200000000 ] - [ -0.0003689900000000, 0.0000931700000000, -0.0001143200000000 ] - [ -0.0008273600000000, -0.0002178000000000, -0.0000821000000000 ] - [ 0.0001581200000000, 0.0000000000000000, -0.0000353900000000 ] - [ -0.0008273600000000, 0.0002178000000000, -0.0000821000000000 ] - [ 0.0001829700000000, -0.0000732000000000, -0.0001267500000000 ] - [ 0.0002991600000000, 0.0000000000000000, -0.0000387900000000 ] - [ 0.0001829700000000, 0.0000732000000000, -0.0001267500000000 ] - [ -0.0002118000000000, 0.0000000000000000, -0.0003636500000000 ] - [ -0.0000543500000000, 0.0000600500000000, -0.0000480200000000 ] - [ -0.0000543500000000, -0.0000600500000000, -0.0000480200000000 ] - [ -0.0021713100000000, 0.0000000000000000, 0.0002612000000000 ] - [ -0.0003541000000000, 0.0002399300000000, -0.0000078300000000 ] - [ -0.0003541000000000, -0.0002399300000000, -0.0000078300000000 ] - [ -0.0005520900000000, -0.0000480100000000, -0.0009598600000000 ] - [ -0.0003070700000000, 0.0000000000000000, -0.0005370000000000 ] - [ -0.0005520900000000, 0.0000480100000000, -0.0009598600000000 ] - [ -0.0010402100000000, -0.0002145400000000, -0.0006146000000000 ] - [ -0.0004048700000000, 0.0000000000000000, -0.0004546100000000 ] - [ -0.0010402100000000, 0.0002145400000000, -0.0006146000000000 ] - [ -0.0071823000000000, -0.0019422000000000, 0.0000925200000000 ] - [ -0.0013751500000000, 0.0000000000000000, 0.0003657800000000 ] - [ -0.0071823000000000, 0.0019422000000000, 0.0000925200000000 ] - [ -0.0009714000000000, 0.0000412300000000, -0.0001049700000000 ] - [ -0.0009985200000000, 0.0000000000000000, 0.0002101100000000 ] - [ -0.0009714000000000, -0.0000412300000000, -0.0001049700000000 ] - [ 0.0065461000000000, 0.0000000000000000, -0.0037444800000000 ] - [ 0.0001952600000000, -0.0008876300000000, 0.0007329200000000 ] - [ 0.0001952600000000, 0.0008876300000000, 0.0007329200000000 ] - [ 0.0000256200000000, 0.0000000000000000, 0.0007469500000000 ] - [ 0.0001314300000000, 0.0000885500000000, 0.0007546000000000 ] - [ 0.0001314300000000, -0.0000885500000000, 0.0007546000000000 ] - [ 0.0007268100000000, 0.0000000000000000, 0.0001981800000000 ] - [ 0.0001479900000000, 0.0002836100000000, 0.0002574400000000 ] - [ 0.0001479900000000, -0.0002836100000000, 0.0002574400000000 ] - [ 0.0001383200000000, 0.0000000000000000, 0.0005339700000000 ] - [ 0.0005053700000000, -0.0000372400000000, 0.0002072400000000 ] - [ 0.0005053700000000, 0.0000372400000000, 0.0002072400000000 ] - [ -0.0010397700000000, 0.0004563600000000, -0.0009044600000000 ] - [ -0.0002434300000000, 0.0000000000000000, -0.0002960500000000 ] - [ -0.0010397700000000, -0.0004563600000000, -0.0009044600000000 ] - [ -0.0012142800000000, -0.0009983700000000, -0.0015276400000000 ] - [ -0.0003481500000000, 0.0000000000000000, -0.0004264100000000 ] - [ -0.0012142800000000, 0.0009983700000000, -0.0015276400000000 ] - [ 0.0018296900000000, 0.0000000000000000, -0.0015940100000000 ] - [ 0.0012222300000000, 0.0000968300000000, -0.0006281700000000 ] - [ 0.0012222300000000, -0.0000968300000000, -0.0006281700000000 ] - [ -0.0038268100000000, 0.0000000000000000, 0.0001902100000000 ] - [ 0.0003896900000000, 0.0001823400000000, -0.0004964100000000 ] - [ 0.0003896900000000, -0.0001823400000000, -0.0004964100000000 ] - [ 0.0027506500000000, 0.0000000000000000, 0.0005990300000000 ] - [ -0.0003433200000000, 0.0002110700000000, 0.0000858500000000 ] - [ -0.0003433200000000, -0.0002110700000000, 0.0000858500000000 ] - [ -0.0010646000000000, 0.0000000000000000, 0.0007511200000000 ] - [ -0.0011264300000000, 0.0000412300000000, 0.0004062300000000 ] - [ -0.0011264300000000, -0.0000412300000000, 0.0004062300000000 ] - [ 0.0013110300000000, 0.0034167200000000, 0.0014086700000000 ] - [ 0.0001779900000000, 0.0000000000000000, 0.0007770600000000 ] - [ 0.0013110300000000, -0.0034167200000000, 0.0014086700000000 ] - [ 0.0002814600000000, 0.0003450900000000, 0.0007995900000000 ] - [ 0.0001939900000000, 0.0000000000000000, 0.0007852600000000 ] - [ 0.0002814600000000, -0.0003450900000000, 0.0007995900000000 ] - [ 0.0019618000000000, -0.0015277300000000, 0.0010827600000000 ] - [ 0.0008840600000000, 0.0000000000000000, 0.0005735100000000 ] - [ 0.0019618000000000, 0.0015277300000000, 0.0010827600000000 ] - [ 0.0008891200000000, 0.0000731700000000, 0.0004940700000000 ] - [ 0.0007387100000000, 0.0000000000000000, 0.0004880300000000 ] - [ 0.0008891200000000, -0.0000731700000000, 0.0004940700000000 ] - [ 0.0006478700000000, 0.0000000000000000, 0.0002219800000000 ] - [ 0.0000496300000000, -0.0000797500000000, 0.0000110300000000 ] - [ 0.0000496300000000, 0.0000797500000000, 0.0000110300000000 ] - [ 0.0013706700000000, 0.0000000000000000, 0.0004142900000000 ] - [ 0.0002304900000000, 0.0002929500000000, 0.0000799600000000 ] - [ 0.0002304900000000, -0.0002929500000000, 0.0000799600000000 ] - [ 0.0008434800000000, -0.0001342200000000, 0.0000216700000000 ] - [ 0.0010329000000000, 0.0000000000000000, -0.0004086700000000 ] - [ 0.0008434800000000, 0.0001342200000000, 0.0000216700000000 ] - [ 0.0027379900000000, -0.0011325000000000, -0.0010666000000000 ] - [ 0.0014295400000000, 0.0000000000000000, -0.0006007300000000 ] - [ 0.0027379900000000, 0.0011325000000000, -0.0010666000000000 ] - [ -0.0057377800000000, 0.0146214200000000, 0.0032179800000000 ] - [ -0.0002271400000000, 0.0000000000000000, -0.0002613600000000 ] - [ -0.0057377800000000, -0.0146214200000000, 0.0032179800000000 ] - [ 0.0002482600000000, 0.0000529400000000, -0.0001200100000000 ] - [ -0.0001573700000000, 0.0000000000000000, -0.0003572400000000 ] - [ 0.0002482600000000, -0.0000529400000000, -0.0001200100000000 ] - [ -0.0242557500000000, 0.0000000000000000, -0.0103133000000000 ] - [ -0.0000004800000000, -0.0024475400000000, -0.0002463300000000 ] - [ -0.0000004800000000, 0.0024475400000000, -0.0002463300000000 ] - [ -0.0009068400000000, 0.0000000000000000, -0.0004953300000000 ] - [ -0.0002074000000000, -0.0002832400000000, -0.0003275800000000 ] - [ -0.0002074000000000, 0.0002832400000000, -0.0003275800000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0037522100000000, 0.0028270900000000, -0.0026745700000000 ] - [ -0.0000559700000000, 0.0004491500000000, 0.0000316200000000 ] - [ -0.0038201700000000, 0.0027934700000000, 0.0027014400000000 ] - [ 0.0002027100000000, -0.0000893500000000, 0.0005554400000000 ] - [ -0.0000550300000000, 0.0001570000000000, 0.0000318200000000 ] - [ -0.0003039400000000, -0.0000849400000000, -0.0004947300000000 ] - [ -0.0016499000000000, 0.0010202600000000, -0.0027924100000000 ] - [ -0.0004466500000000, 0.0004132500000000, -0.0000010300000000 ] - [ 0.0007499500000000, 0.0010175100000000, 0.0027759000000000 ] - [ -0.0008352000000000, -0.0001002000000000, 0.0001961300000000 ] - [ -0.0004458100000000, 0.0001804500000000, -0.0000003600000000 ] - [ -0.0000587900000000, -0.0000991100000000, -0.0001978700000000 ] - [ 0.0004270300000000, -0.0297447600000000, 0.0000345100000000 ] - [ 0.0007087700000000, 0.0017332200000000, 0.0001637300000000 ] - [ -0.0001514600000000, 0.0017306700000000, -0.0001860800000000 ] - [ 0.0002792700000000, -0.0003133800000000, -0.0000128200000000 ] - [ 0.0002906200000000, 0.0001576900000000, 0.0000150000000000 ] - [ 0.0002689100000000, 0.0001586600000000, -0.0000334600000000 ] - [ 0.0001630400000000, -0.0001057000000000, -0.0000052000000000 ] - [ -0.0000536200000000, 0.0001838400000000, 0.0000370000000000 ] - [ -0.0002785800000000, -0.0001055400000000, 0.0000739900000000 ] - [ 0.0023011100000000, 0.0034651100000000, 0.0047529100000000 ] - [ -0.0000551900000000, 0.0005031200000000, 0.0000331000000000 ] - [ -0.0023887200000000, 0.0034262700000000, -0.0046223500000000 ] - [ -0.0003038800000000, -0.0009746400000000, -0.0004726200000000 ] - [ -0.0001305600000000, 0.0003343000000000, -0.0007314200000000 ] - [ -0.0004637800000000, 0.0003363000000000, -0.0002221900000000 ] - [ -0.0002943100000000, -0.0018979100000000, -0.0004905500000000 ] - [ -0.0002007700000000, 0.0005596500000000, -0.0000953900000000 ] - [ -0.0004021800000000, 0.0005602500000000, -0.0008595400000000 ] - [ -0.0000525000000000, -0.0010991600000000, 0.0000316400000000 ] - [ -0.0003748400000000, 0.0005168600000000, -0.0001805200000000 ] - [ 0.0002684200000000, 0.0005170000000000, 0.0002446200000000 ] - [ -0.0000522600000000, -0.0001688200000000, 0.0000303000000000 ] - [ -0.0000599800000000, 0.0000834400000000, 0.0000714600000000 ] - [ -0.0000525800000000, 0.0000862600000000, -0.0000072600000000 ] - [ -0.0004440300000000, -0.0000631000000000, 0.0000015800000000 ] - [ -0.0003652300000000, 0.0001019500000000, -0.0001184100000000 ] - [ -0.0005262400000000, 0.0001025000000000, 0.0001191900000000 ] - [ -0.0004480100000000, -0.0000341100000000, -0.0000044200000000 ] - [ -0.0003738100000000, 0.0000769500000000, 0.0001754400000000 ] - [ -0.0005144900000000, 0.0000775500000000, -0.0001736400000000 ] - [ 0.0000604900000000, -0.0001669000000000, 0.0000919100000000 ] - [ 0.0002792400000000, 0.0003069600000000, -0.0000102200000000 ] - [ 0.0005003700000000, -0.0001634800000000, -0.0001119700000000 ] - [ 0.0002036100000000, -0.0000743400000000, -0.0000948000000000 ] - [ 0.0002765400000000, 0.0001461500000000, -0.0000100100000000 ] - [ 0.0003566000000000, -0.0000774800000000, 0.0000759200000000 ] - [ -0.0000582600000000, -0.0003966400000000, 0.0000305100000000 ] - [ -0.0001167400000000, 0.0001955600000000, -0.0000927000000000 ] - [ 0.0000040200000000, 0.0001940100000000, 0.0001551100000000 ] - [ -0.0000589300000000, -0.0003738400000000, 0.0000310200000000 ] - [ -0.0002976700000000, 0.0001970300000000, 0.0001643600000000 ] - [ 0.0001807500000000, 0.0001978500000000, -0.0000966800000000 ] - [ -0.0005124700000000, -0.0000750000000000, -0.0009942100000000 ] - [ -0.0002970300000000, 0.0001558800000000, -0.0004775800000000 ] - [ -0.0000912500000000, -0.0000704200000000, 0.0000380800000000 ] - [ -0.0003481100000000, -0.0000972100000000, -0.0002834400000000 ] - [ -0.0002984800000000, 0.0001924300000000, -0.0004783800000000 ] - [ -0.0002521000000000, -0.0000948700000000, -0.0006707200000000 ] - [ 0.0040095800000000, -0.0020598100000000, -0.0009675700000000 ] - [ -0.0010704300000000, -0.0011896000000000, 0.0002894800000000 ] - [ -0.0061915400000000, -0.0026240800000000, 0.0015024500000000 ] - [ -0.0009842000000000, 0.0001476000000000, 0.0002316800000000 ] - [ -0.0010671600000000, -0.0002724600000000, 0.0002860100000000 ] - [ -0.0011604900000000, 0.0001417300000000, 0.0003511800000000 ] - [ 0.0001737900000000, 0.0087491000000000, 0.0007816200000000 ] - [ 0.0011829900000000, -0.0033592300000000, 0.0001555600000000 ] - [ -0.0008214800000000, -0.0033524400000000, 0.0014070200000000 ] - [ 0.0001783400000000, 0.0013452400000000, 0.0007833000000000 ] - [ 0.0002181100000000, -0.0006886900000000, 0.0009306300000000 ] - [ 0.0001451300000000, -0.0006883100000000, 0.0006303200000000 ] - [ 0.0006498500000000, 0.0067251500000000, 0.0004279600000000 ] - [ -0.0001271800000000, -0.0008669300000000, 0.0004754700000000 ] - [ 0.0014535100000000, -0.0008718400000000, 0.0003677200000000 ] - [ 0.0006642200000000, 0.0004559100000000, 0.0004237600000000 ] - [ 0.0005402200000000, -0.0002459300000000, 0.0000924100000000 ] - [ 0.0007842100000000, -0.0002531100000000, 0.0007503900000000 ] - [ -0.0006030800000000, -0.0000404900000000, 0.0015031900000000 ] - [ -0.0001585300000000, -0.0004260000000000, -0.0002453200000000 ] - [ 0.0002841000000000, -0.0000425700000000, -0.0019989400000000 ] - [ 0.0006754300000000, 0.0000807300000000, -0.0026983200000000 ] - [ -0.0001578000000000, -0.0008255000000000, -0.0002438800000000 ] - [ -0.0009883300000000, 0.0000749000000000, 0.0021827600000000 ] - [ 0.0011184200000000, 0.0002709100000000, -0.0005121100000000 ] - [ 0.0009841500000000, -0.0001662400000000, -0.0003824500000000 ] - [ 0.0012419500000000, -0.0001637700000000, -0.0006413900000000 ] - [ 0.0011094700000000, 0.0073536200000000, -0.0005326800000000 ] - [ 0.0003325400000000, -0.0010368400000000, -0.0010111200000000 ] - [ 0.0018961100000000, -0.0010308000000000, -0.0000148500000000 ] - [ -0.0010667700000000, 0.0006599300000000, 0.0002944600000000 ] - [ -0.0009629500000000, -0.0003845300000000, 0.0001730900000000 ] - [ -0.0011826300000000, -0.0003824400000000, 0.0004126600000000 ] - [ -0.0010705500000000, 0.0002266500000000, 0.0002962600000000 ] - [ -0.0010664800000000, -0.0001203800000000, 0.0002741200000000 ] - [ -0.0010765400000000, -0.0001141800000000, 0.0003069600000000 ] - [ -0.0010200800000000, 0.0006513100000000, 0.0004352300000000 ] - [ 0.0001800500000000, -0.0014380100000000, 0.0007807500000000 ] - [ 0.0013715000000000, 0.0006310800000000, 0.0011235700000000 ] - [ 0.0001772300000000, 0.0003708900000000, 0.0007969400000000 ] - [ 0.0001795100000000, -0.0007533100000000, 0.0007815000000000 ] - [ 0.0001843400000000, 0.0003696400000000, 0.0007637500000000 ] - [ 0.0032692600000000, 0.0003502400000000, 0.0011191700000000 ] - [ 0.0006645400000000, -0.0008383800000000, 0.0004192500000000 ] - [ -0.0019256800000000, 0.0003424700000000, -0.0002642700000000 ] - [ 0.0007330600000000, 0.0001390900000000, 0.0003953700000000 ] - [ 0.0006654100000000, -0.0002759000000000, 0.0004185100000000 ] - [ 0.0005945100000000, 0.0001344100000000, 0.0004545400000000 ] - [ -0.0001570300000000, 0.0005494300000000, -0.0002544200000000 ] - [ -0.0000311300000000, -0.0002685400000000, 0.0000689400000000 ] - [ -0.0002876100000000, -0.0002768400000000, -0.0005680800000000 ] - [ -0.0001538600000000, 0.0004152800000000, -0.0002523700000000 ] - [ -0.0003347900000000, -0.0002508300000000, -0.0004130600000000 ] - [ 0.0000200000000000, -0.0002570800000000, -0.0000824000000000 ] - [ 0.0012694100000000, 0.0001217600000000, 0.0002036700000000 ] - [ 0.0011138300000000, -0.0003223800000000, -0.0005081800000000 ] - [ 0.0009667600000000, 0.0001266000000000, -0.0012336400000000 ] - [ 0.0012611700000000, 0.0005152000000000, -0.0005412200000000 ] - [ 0.0011148800000000, -0.0008807000000000, -0.0005102900000000 ] - [ 0.0009741300000000, 0.0005123000000000, -0.0004863500000000 ] - [ -0.0145434500000000, 0.0024449100000000, 0.0063211900000000 ] - [ -0.0001537900000000, 0.0044926900000000, -0.0003132200000000 ] - [ 0.0141294800000000, 0.0024323400000000, -0.0069027500000000 ] - [ -0.0005266900000000, -0.0005271600000000, -0.0014132100000000 ] - [ -0.0001566600000000, 0.0010438500000000, -0.0003082500000000 ] - [ 0.0002159200000000, -0.0005283200000000, 0.0007912500000000 ] - [ -0.0002067400000000, -0.0057159800000000, -0.0003188400000000 ] - [ 0.0008528800000000, 0.0014870100000000, 0.0000814600000000 ] - [ -0.0011527100000000, 0.0014949400000000, -0.0007047500000000 ] - [ -0.0001573900000000, -0.0005868500000000, -0.0003082300000000 ] - [ -0.0000773200000000, 0.0002919100000000, -0.0003592400000000 ] - [ -0.0002230400000000, 0.0002928600000000, -0.0002603300000000 ]- atom: 13 displacement: [ -0.0033530628758559, 0.0000000000000000, 0.0094210917281681 ] forces: - [ -0.0013489500000000, -0.0038397800000000, 0.0002465000000000 ] - [ -0.0000385200000000, 0.0000000000000000, -0.0000326000000000 ] - [ -0.0013489500000000, 0.0038397800000000, 0.0002465000000000 ] - [ -0.0001330600000000, 0.0000788000000000, 0.0005690800000000 ] - [ -0.0000883000000000, 0.0000000000000000, 0.0000984300000000 ] - [ -0.0001330600000000, -0.0000788000000000, 0.0005690800000000 ] - [ 0.0007706700000000, -0.0022234900000000, 0.0004991000000000 ] - [ -0.0004183600000000, 0.0000000000000000, -0.0000953000000000 ] - [ 0.0007706700000000, 0.0022234900000000, 0.0004991000000000 ] - [ -0.0006550400000000, 0.0001289100000000, 0.0004897200000000 ] - [ -0.0004806000000000, 0.0000000000000000, 0.0000881400000000 ] - [ -0.0006550400000000, -0.0001289100000000, 0.0004897200000000 ] - [ 0.0067968300000000, 0.0000000000000000, -0.0309285100000000 ] - [ 0.0003094300000000, -0.0000207500000000, 0.0000225400000000 ] - [ 0.0003094300000000, 0.0000207500000000, 0.0000225400000000 ] - [ 0.0001319000000000, 0.0000000000000000, 0.0003119600000000 ] - [ 0.0002130800000000, -0.0000195300000000, 0.0001097300000000 ] - [ 0.0002130800000000, 0.0000195300000000, 0.0001097300000000 ] - [ -0.0002939900000000, -0.0001098200000000, 0.0003214700000000 ] - [ -0.0000829100000000, 0.0000000000000000, 0.0000353500000000 ] - [ -0.0002939900000000, 0.0001098200000000, 0.0003214700000000 ] - [ 0.0013295900000000, 0.0036363800000000, 0.0006582700000000 ] - [ -0.0000478100000000, 0.0000000000000000, 0.0000266700000000 ] - [ 0.0013295900000000, -0.0036363800000000, 0.0006582700000000 ] - [ -0.0022787300000000, 0.0000000000000000, 0.0029057000000000 ] - [ -0.0003587700000000, -0.0002722100000000, -0.0005713800000000 ] - [ -0.0003587700000000, 0.0002722100000000, -0.0005713800000000 ] - [ -0.0012632900000000, 0.0000000000000000, 0.0059253700000000 ] - [ -0.0001808800000000, 0.0003229300000000, -0.0004647200000000 ] - [ -0.0001808800000000, -0.0003229300000000, -0.0004647200000000 ] - [ -0.0004983100000000, 0.0000000000000000, -0.0008588900000000 ] - [ -0.0000903500000000, 0.0000364700000000, -0.0000277500000000 ] - [ -0.0000903500000000, -0.0000364700000000, -0.0000277500000000 ] - [ 0.0000479700000000, 0.0000000000000000, 0.0005403200000000 ] - [ -0.0000358200000000, 0.0000344200000000, 0.0001277900000000 ] - [ -0.0000358200000000, -0.0000344200000000, 0.0001277900000000 ] - [ -0.0012605400000000, 0.0000000000000000, 0.0005353300000000 ] - [ -0.0004995400000000, -0.0000866700000000, -0.0000537200000000 ] - [ -0.0004995400000000, 0.0000866700000000, -0.0000537200000000 ] - [ -0.0003259600000000, 0.0000000000000000, 0.0008414600000000 ] - [ -0.0004088300000000, 0.0000982600000000, 0.0000625800000000 ] - [ -0.0004088300000000, -0.0000982600000000, 0.0000625800000000 ] - [ -0.0000203500000000, -0.0001714700000000, -0.0003296900000000 ] - [ 0.0002651900000000, 0.0000000000000000, -0.0000204600000000 ] - [ -0.0000203500000000, 0.0001714700000000, -0.0003296900000000 ] - [ 0.0003573700000000, 0.0000556600000000, 0.0001954300000000 ] - [ 0.0003164800000000, 0.0000000000000000, 0.0000167600000000 ] - [ 0.0003573700000000, -0.0000556600000000, 0.0001954300000000 ] - [ 0.0002573500000000, 0.0000000000000000, 0.0003939700000000 ] - [ 0.0000173800000000, -0.0000956100000000, 0.0000352400000000 ] - [ 0.0000173800000000, 0.0000956100000000, 0.0000352400000000 ] - [ -0.0009788100000000, 0.0000000000000000, -0.0000633600000000 ] - [ -0.0001210300000000, 0.0002039300000000, -0.0000154500000000 ] - [ -0.0001210300000000, -0.0002039300000000, -0.0000154500000000 ] - [ -0.0002459300000000, -0.0000924400000000, -0.0006387300000000 ] - [ -0.0002758600000000, 0.0000000000000000, -0.0005367600000000 ] - [ -0.0002459300000000, 0.0000924400000000, -0.0006387300000000 ] - [ -0.0003744800000000, 0.0002753600000000, -0.0003511100000000 ] - [ -0.0002872200000000, 0.0000000000000000, -0.0004155900000000 ] - [ -0.0003744800000000, -0.0002753600000000, -0.0003511100000000 ] - [ -0.0035481800000000, -0.0001704500000000, 0.0068992700000000 ] - [ -0.0011641700000000, 0.0000000000000000, 0.0003836600000000 ] - [ -0.0035481800000000, 0.0001704500000000, 0.0068992700000000 ] - [ -0.0007559300000000, 0.0000356200000000, -0.0004264300000000 ] - [ -0.0009580200000000, 0.0000000000000000, 0.0001803700000000 ] - [ -0.0007559300000000, -0.0000356200000000, -0.0004264300000000 ] - [ 0.0064244600000000, 0.0000000000000000, 0.0030314000000000 ] - [ 0.0000094000000000, -0.0001617600000000, 0.0010341200000000 ] - [ 0.0000094000000000, 0.0001617600000000, 0.0010341200000000 ] - [ 0.0001017100000000, 0.0000000000000000, 0.0000352500000000 ] - [ 0.0001235600000000, 0.0003982200000000, 0.0005732700000000 ] - [ 0.0001235600000000, -0.0003982200000000, 0.0005732700000000 ] - [ 0.0034063800000000, 0.0000000000000000, 0.0087413300000000 ] - [ 0.0006909200000000, 0.0001751600000000, 0.0007272500000000 ] - [ 0.0006909200000000, -0.0001751600000000, 0.0007272500000000 ] - [ 0.0006512500000000, 0.0000000000000000, -0.0008896000000000 ] - [ 0.0005922200000000, -0.0001180600000000, 0.0000920900000000 ] - [ 0.0005922200000000, 0.0001180600000000, 0.0000920900000000 ] - [ -0.0001127600000000, 0.0013296300000000, -0.0018612600000000 ] - [ -0.0001383400000000, 0.0000000000000000, -0.0001640400000000 ] - [ -0.0001127600000000, -0.0013296300000000, -0.0018612600000000 ] - [ 0.0004515100000000, -0.0017863800000000, -0.0007448600000000 ] - [ -0.0001572700000000, 0.0000000000000000, -0.0002954900000000 ] - [ 0.0004515100000000, 0.0017863800000000, -0.0007448600000000 ] - [ 0.0018549400000000, 0.0000000000000000, -0.0015111100000000 ] - [ 0.0013485400000000, 0.0001395000000000, -0.0006476400000000 ] - [ 0.0013485400000000, -0.0001395000000000, -0.0006476400000000 ] - [ -0.0036584300000000, 0.0000000000000000, 0.0090326400000000 ] - [ 0.0009305100000000, -0.0001589600000000, -0.0002906300000000 ] - [ 0.0009305100000000, 0.0001589600000000, -0.0002906300000000 ] - [ 0.0020059500000000, 0.0000000000000000, 0.0011838600000000 ] - [ -0.0009803500000000, -0.0000566400000000, 0.0004033800000000 ] - [ -0.0009803500000000, 0.0000566400000000, 0.0004033800000000 ] - [ -0.0012466200000000, 0.0000000000000000, -0.0002003500000000 ] - [ -0.0011726900000000, 0.0000126100000000, 0.0001955400000000 ] - [ -0.0011726900000000, -0.0000126100000000, 0.0001955400000000 ] - [ -0.0000757200000000, 0.0001975700000000, 0.0022138200000000 ] - [ 0.0001732800000000, 0.0000000000000000, 0.0008436000000000 ] - [ -0.0000757200000000, -0.0001975700000000, 0.0022138200000000 ] - [ 0.0002226400000000, 0.0000349700000000, 0.0005578100000000 ] - [ 0.0001968400000000, 0.0000000000000000, 0.0007230100000000 ] - [ 0.0002226400000000, -0.0000349700000000, 0.0005578100000000 ] - [ 0.0006175300000000, -0.0003533500000000, 0.0013081000000000 ] - [ 0.0007053600000000, 0.0000000000000000, 0.0005354000000000 ] - [ 0.0006175300000000, 0.0003533500000000, 0.0013081000000000 ] - [ 0.0005789600000000, -0.0000668600000000, -0.0001284100000000 ] - [ 0.0006063600000000, 0.0000000000000000, 0.0002573400000000 ] - [ 0.0005789600000000, 0.0000668600000000, -0.0001284100000000 ] - [ -0.0000294700000000, 0.0000000000000000, -0.0003664600000000 ] - [ -0.0001420200000000, 0.0000246400000000, -0.0001441800000000 ] - [ -0.0001420200000000, -0.0000246400000000, -0.0001441800000000 ] - [ -0.0019644900000000, 0.0000000000000000, -0.0009994500000000 ] - [ -0.0000684200000000, -0.0000592700000000, -0.0002578500000000 ] - [ -0.0000684200000000, 0.0000592700000000, -0.0002578500000000 ] - [ 0.0006696800000000, 0.0002631000000000, -0.0008492000000000 ] - [ 0.0010267700000000, 0.0000000000000000, -0.0004597700000000 ] - [ 0.0006696800000000, -0.0002631000000000, -0.0008492000000000 ] - [ 0.0019201800000000, -0.0007947200000000, -0.0005490900000000 ] - [ 0.0011248900000000, 0.0000000000000000, -0.0005166600000000 ] - [ 0.0019201800000000, 0.0007947200000000, -0.0005490900000000 ] - [ -0.0038495200000000, 0.0096841200000000, -0.0025078900000000 ] - [ -0.0002251700000000, 0.0000000000000000, -0.0003142200000000 ] - [ -0.0038495200000000, -0.0096841200000000, -0.0025078900000000 ] - [ 0.0002769400000000, -0.0004488100000000, 0.0014545800000000 ] - [ -0.0001701700000000, 0.0000000000000000, -0.0002857800000000 ] - [ 0.0002769400000000, 0.0004488100000000, 0.0014545800000000 ] - [ 0.0013279800000000, 0.0000000000000000, -0.0133582000000000 ] - [ -0.0002070300000000, -0.0000802900000000, -0.0005001500000000 ] - [ -0.0002070300000000, 0.0000802900000000, -0.0005001500000000 ] - [ -0.0005009900000000, 0.0000000000000000, 0.0009247200000000 ] - [ -0.0001922500000000, -0.0000638200000000, -0.0000762900000000 ] - [ -0.0001922500000000, 0.0000638200000000, -0.0000762900000000 ]- atom: 13 displacement: [ 0.0033530628758559, 0.0000000000000000, -0.0094210917281681 ] forces: - [ 0.0012436800000000, 0.0038681300000000, -0.0001586300000000 ] - [ -0.0000755400000000, 0.0000000000000000, 0.0001062500000000 ] - [ 0.0012436800000000, -0.0038681300000000, -0.0001586300000000 ] - [ 0.0000191700000000, -0.0000800700000000, -0.0004978200000000 ] - [ -0.0000264900000000, 0.0000000000000000, -0.0000265700000000 ] - [ 0.0000191700000000, 0.0000800700000000, -0.0004978200000000 ] - [ -0.0016751400000000, 0.0022383800000000, -0.0004879100000000 ] - [ -0.0004728500000000, 0.0000000000000000, 0.0000975700000000 ] - [ -0.0016751400000000, -0.0022383800000000, -0.0004879100000000 ] - [ -0.0002386800000000, -0.0001292500000000, -0.0004904500000000 ] - [ -0.0004109700000000, 0.0000000000000000, -0.0000896000000000 ] - [ -0.0002386800000000, 0.0001292500000000, -0.0004904500000000 ] - [ -0.0067053500000000, 0.0000000000000000, 0.0305541000000000 ] - [ 0.0002468600000000, 0.0000168300000000, -0.0000380300000000 ] - [ 0.0002468600000000, -0.0000168300000000, -0.0000380300000000 ] - [ 0.0004313300000000, 0.0000000000000000, -0.0003255400000000 ] - [ 0.0003454200000000, 0.0000205400000000, -0.0001238700000000 ] - [ 0.0003454200000000, -0.0000205400000000, -0.0001238700000000 ] - [ 0.0001832800000000, 0.0001098200000000, -0.0002604700000000 ] - [ -0.0000325300000000, 0.0000000000000000, 0.0000240100000000 ] - [ 0.0001832800000000, -0.0001098200000000, -0.0002604700000000 ] - [ -0.0014255500000000, -0.0036242800000000, -0.0006113200000000 ] - [ -0.0000651000000000, 0.0000000000000000, 0.0000331500000000 ] - [ -0.0014255500000000, 0.0036242800000000, -0.0006113200000000 ] - [ 0.0017314900000000, 0.0000000000000000, -0.0039168000000000 ] - [ -0.0002314000000000, 0.0002750500000000, -0.0003859700000000 ] - [ -0.0002314000000000, -0.0002750500000000, -0.0003859700000000 ] - [ 0.0006551600000000, 0.0000000000000000, -0.0067703800000000 ] - [ -0.0004084700000000, -0.0003217700000000, -0.0004993600000000 ] - [ -0.0004084700000000, 0.0003217700000000, -0.0004993600000000 ] - [ 0.0003846400000000, 0.0000000000000000, 0.0009296200000000 ] - [ -0.0000248300000000, -0.0000387800000000, 0.0001027400000000 ] - [ -0.0000248300000000, 0.0000387800000000, 0.0001027400000000 ] - [ -0.0001665500000000, 0.0000000000000000, -0.0004710200000000 ] - [ -0.0000809700000000, -0.0000355200000000, -0.0000553000000000 ] - [ -0.0000809700000000, 0.0000355200000000, -0.0000553000000000 ] - [ 0.0003666600000000, 0.0000000000000000, -0.0005305700000000 ] - [ -0.0003931100000000, 0.0000867900000000, 0.0000557100000000 ] - [ -0.0003931100000000, -0.0000867900000000, 0.0000557100000000 ] - [ -0.0005667600000000, 0.0000000000000000, -0.0008456600000000 ] - [ -0.0004819300000000, -0.0000979400000000, -0.0000626300000000 ] - [ -0.0004819300000000, 0.0000979400000000, -0.0000626300000000 ] - [ 0.0005779500000000, 0.0001710900000000, 0.0003147100000000 ] - [ 0.0002932300000000, 0.0000000000000000, 0.0000077700000000 ] - [ 0.0005779500000000, -0.0001710900000000, 0.0003147100000000 ] - [ 0.0001991300000000, -0.0000541300000000, -0.0002124500000000 ] - [ 0.0002433200000000, 0.0000000000000000, -0.0000294100000000 ] - [ 0.0001991300000000, 0.0000541300000000, -0.0002124500000000 ] - [ -0.0003751400000000, 0.0000000000000000, -0.0003331200000000 ] - [ -0.0001310400000000, 0.0000973900000000, 0.0000261700000000 ] - [ -0.0001310400000000, -0.0000973900000000, 0.0000261700000000 ] - [ 0.0008702300000000, 0.0000000000000000, 0.0001234100000000 ] - [ 0.0000086600000000, -0.0002036300000000, 0.0000758400000000 ] - [ 0.0000086600000000, 0.0002036300000000, 0.0000758400000000 ] - [ -0.0003439600000000, 0.0000904700000000, -0.0003185500000000 ] - [ -0.0003163200000000, 0.0000000000000000, -0.0004247000000000 ] - [ -0.0003439600000000, -0.0000904700000000, -0.0003185500000000 ] - [ -0.0002161500000000, -0.0002757500000000, -0.0006120500000000 ] - [ -0.0003049600000000, 0.0000000000000000, -0.0005487000000000 ] - [ -0.0002161500000000, 0.0002757500000000, -0.0006120500000000 ] - [ 0.0014061300000000, 0.0001802800000000, -0.0063140100000000 ] - [ -0.0009790200000000, 0.0000000000000000, 0.0001992100000000 ] - [ 0.0014061300000000, -0.0001802800000000, -0.0063140100000000 ] - [ -0.0013865200000000, -0.0000342200000000, 0.0010103200000000 ] - [ -0.0011802300000000, 0.0000000000000000, 0.0003987500000000 ] - [ -0.0013865200000000, 0.0000342200000000, 0.0010103200000000 ] - [ -0.0061531300000000, 0.0000000000000000, -0.0013555200000000 ] - [ 0.0003487300000000, 0.0001674300000000, 0.0005333500000000 ] - [ 0.0003487300000000, -0.0001674300000000, 0.0005333500000000 ] - [ 0.0002587600000000, 0.0000000000000000, 0.0015373300000000 ] - [ 0.0002386700000000, -0.0004028100000000, 0.0009898600000000 ] - [ 0.0002386700000000, 0.0004028100000000, 0.0009898600000000 ] - [ -0.0016725900000000, 0.0000000000000000, -0.0081719500000000 ] - [ 0.0006425700000000, -0.0001742500000000, 0.0001163900000000 ] - [ 0.0006425700000000, 0.0001742500000000, 0.0001163900000000 ] - [ 0.0006760000000000, 0.0000000000000000, 0.0017337000000000 ] - [ 0.0007379300000000, 0.0001188600000000, 0.0007549200000000 ] - [ 0.0007379300000000, -0.0001188600000000, 0.0007549200000000 ] - [ -0.0002103900000000, -0.0013493300000000, 0.0013772000000000 ] - [ -0.0001832600000000, 0.0000000000000000, -0.0003392300000000 ] - [ -0.0002103900000000, 0.0013493300000000, 0.0013772000000000 ] - [ -0.0007611900000000, 0.0017701200000000, 0.0002488000000000 ] - [ -0.0001606600000000, 0.0000000000000000, -0.0001967000000000 ] - [ -0.0007611900000000, -0.0017701200000000, 0.0002488000000000 ] - [ 0.0003687200000000, 0.0000000000000000, 0.0004897900000000 ] - [ 0.0008752000000000, -0.0001417400000000, -0.0003728700000000 ] - [ 0.0008752000000000, 0.0001417400000000, -0.0003728700000000 ] - [ 0.0061029400000000, 0.0000000000000000, -0.0096149100000000 ] - [ 0.0013012100000000, 0.0001588100000000, -0.0007282700000000 ] - [ 0.0013012100000000, -0.0001588100000000, -0.0007282700000000 ] - [ -0.0041471400000000, 0.0000000000000000, -0.0005985100000000 ] - [ -0.0011640000000000, 0.0000553300000000, 0.0001795200000000 ] - [ -0.0011640000000000, -0.0000553300000000, 0.0001795200000000 ] - [ -0.0008908600000000, 0.0000000000000000, 0.0007862800000000 ] - [ -0.0009661100000000, -0.0000165800000000, 0.0003842300000000 ] - [ -0.0009661100000000, 0.0000165800000000, 0.0003842300000000 ] - [ 0.0004394300000000, -0.0002018900000000, -0.0006517800000000 ] - [ 0.0001883100000000, 0.0000000000000000, 0.0007207800000000 ] - [ 0.0004394300000000, 0.0002018900000000, -0.0006517800000000 ] - [ 0.0001381400000000, -0.0000355500000000, 0.0010042600000000 ] - [ 0.0001627600000000, 0.0000000000000000, 0.0008410400000000 ] - [ 0.0001381400000000, 0.0000355500000000, 0.0010042600000000 ] - [ 0.0007035400000000, 0.0003550000000000, -0.0004646100000000 ] - [ 0.0006239000000000, 0.0000000000000000, 0.0003055000000000 ] - [ 0.0007035400000000, -0.0003550000000000, -0.0004646100000000 ] - [ 0.0007530700000000, 0.0000677100000000, 0.0009780900000000 ] - [ 0.0007276600000000, 0.0000000000000000, 0.0005883700000000 ] - [ 0.0007530700000000, -0.0000677100000000, 0.0009780900000000 ] - [ -0.0002888700000000, 0.0000000000000000, -0.0001387300000000 ] - [ -0.0001795500000000, -0.0000218100000000, -0.0003567000000000 ] - [ -0.0001795500000000, 0.0000218100000000, -0.0003567000000000 ] - [ 0.0016458100000000, 0.0000000000000000, 0.0004970200000000 ] - [ -0.0002495200000000, 0.0000609700000000, -0.0002358500000000 ] - [ -0.0002495200000000, -0.0000609700000000, -0.0002358500000000 ] - [ 0.0015641100000000, -0.0002687400000000, -0.0001734600000000 ] - [ 0.0012008200000000, 0.0000000000000000, -0.0005589800000000 ] - [ 0.0015641100000000, 0.0002687400000000, -0.0001734600000000 ] - [ 0.0003105700000000, 0.0007956800000000, -0.0004714400000000 ] - [ 0.0011026300000000, 0.0000000000000000, -0.0005030200000000 ] - [ 0.0003105700000000, -0.0007956800000000, -0.0004714400000000 ] - [ 0.0035443800000000, -0.0096668200000000, 0.0018252400000000 ] - [ -0.0000813200000000, 0.0000000000000000, -0.0003084400000000 ] - [ 0.0035443800000000, 0.0096668200000000, 0.0018252400000000 ] - [ -0.0005921800000000, 0.0004548900000000, -0.0020891300000000 ] - [ -0.0001390400000000, 0.0000000000000000, -0.0003314000000000 ] - [ -0.0005921800000000, -0.0004548900000000, -0.0020891300000000 ] - [ -0.0017387500000000, 0.0000000000000000, 0.0127267600000000 ] - [ -0.0001020900000000, 0.0000781600000000, -0.0001238100000000 ] - [ -0.0001020900000000, -0.0000781600000000, -0.0001238100000000 ] - [ 0.0001921300000000, 0.0000000000000000, -0.0015430100000000 ] - [ -0.0001115700000000, 0.0000647800000000, -0.0005445800000000 ] - [ -0.0001115700000000, -0.0000647800000000, -0.0005445800000000 ]- atom: 19 displacement: [ 0.0099999834948202, 0.0000000000000000, 0.0000181687457952 ] forces: - [ -0.0007567600000000, 0.0000000000000000, -0.0021292000000000 ] - [ -0.0001272700000000, -0.0000244000000000, -0.0000109500000000 ] - [ -0.0001272700000000, 0.0000244000000000, -0.0000109500000000 ] - [ -0.0026164800000000, 0.0000000000000000, -0.0024313500000000 ] - [ -0.0003116200000000, 0.0002689000000000, -0.0000195500000000 ] - [ -0.0003116200000000, -0.0002689000000000, -0.0000195500000000 ] - [ 0.0009241000000000, 0.0000000000000000, -0.0008002100000000 ] - [ -0.0003413600000000, -0.0001077100000000, -0.0001058300000000 ] - [ -0.0003413600000000, 0.0001077100000000, -0.0001058300000000 ] - [ -0.0001536300000000, 0.0000000000000000, 0.0009508100000000 ] - [ -0.0005222000000000, -0.0000933300000000, 0.0001143300000000 ] - [ -0.0005222000000000, 0.0000933300000000, 0.0001143300000000 ] - [ 0.0002479000000000, 0.0002184200000000, -0.0002702300000000 ] - [ 0.0002479000000000, -0.0002184200000000, -0.0002702300000000 ] - [ 0.0002923800000000, 0.0000000000000000, -0.0000294800000000 ] - [ -0.0014853100000000, 0.0023620000000000, 0.0008302900000000 ] - [ -0.0014853100000000, -0.0023620000000000, 0.0008302900000000 ] - [ 0.0001524400000000, 0.0000000000000000, -0.0000420300000000 ] - [ -0.0379978900000000, 0.0000000000000000, -0.0064376100000000 ] - [ -0.0003263500000000, 0.0004289700000000, -0.0000338100000000 ] - [ -0.0003263500000000, -0.0004289700000000, -0.0000338100000000 ] - [ -0.0002316100000000, 0.0000000000000000, -0.0001897800000000 ] - [ -0.0000509100000000, 0.0000103900000000, -0.0000399400000000 ] - [ -0.0000509100000000, -0.0000103900000000, -0.0000399400000000 ] - [ -0.0008028100000000, 0.0038168900000000, -0.0018651300000000 ] - [ -0.0008028100000000, -0.0038168900000000, -0.0018651300000000 ] - [ -0.0004143700000000, 0.0000000000000000, -0.0004584600000000 ] - [ -0.0005416500000000, 0.0001698200000000, -0.0008343500000000 ] - [ -0.0005416500000000, -0.0001698200000000, -0.0008343500000000 ] - [ -0.0003052700000000, 0.0000000000000000, -0.0005406500000000 ] - [ 0.0002013800000000, 0.0000479000000000, 0.0005144800000000 ] - [ 0.0002013800000000, -0.0000479000000000, 0.0005144800000000 ] - [ -0.0000452000000000, 0.0000000000000000, 0.0000900400000000 ] - [ 0.0006904200000000, 0.0002140300000000, 0.0001698200000000 ] - [ 0.0006904200000000, -0.0002140300000000, 0.0001698200000000 ] - [ 0.0000523800000000, 0.0000000000000000, 0.0000089000000000 ] - [ -0.0006978800000000, -0.0015140200000000, 0.0015214600000000 ] - [ -0.0006978800000000, 0.0015140200000000, 0.0015214600000000 ] - [ -0.0004890600000000, 0.0000000000000000, 0.0000995800000000 ] - [ -0.0002565200000000, -0.0001838000000000, -0.0005033100000000 ] - [ -0.0002565200000000, 0.0001838000000000, -0.0005033100000000 ] - [ -0.0003927000000000, 0.0000000000000000, -0.0000896800000000 ] - [ 0.0004329300000000, 0.0000000000000000, 0.0003850700000000 ] - [ 0.0002765400000000, 0.0000588100000000, 0.0000695900000000 ] - [ 0.0002765400000000, -0.0000588100000000, 0.0000695900000000 ] - [ 0.0023946000000000, 0.0000000000000000, -0.0002368400000000 ] - [ 0.0005762100000000, 0.0002398400000000, 0.0000303700000000 ] - [ 0.0005762100000000, -0.0002398400000000, 0.0000303700000000 ] - [ 0.0010504000000000, 0.0002186900000000, 0.0001045500000000 ] - [ 0.0010504000000000, -0.0002186900000000, 0.0001045500000000 ] - [ 0.0000651100000000, 0.0000000000000000, 0.0000572100000000 ] - [ 0.0000396100000000, 0.0000741300000000, 0.0001475500000000 ] - [ 0.0000396100000000, -0.0000741300000000, 0.0001475500000000 ] - [ -0.0000750400000000, 0.0000000000000000, 0.0000612200000000 ] - [ 0.0023790300000000, 0.0000000000000000, 0.0006011500000000 ] - [ -0.0000097600000000, 0.0003709800000000, -0.0004436700000000 ] - [ -0.0000097600000000, -0.0003709800000000, -0.0004436700000000 ] - [ -0.0000698000000000, 0.0000000000000000, -0.0001929100000000 ] - [ -0.0002416900000000, 0.0000428300000000, -0.0003999700000000 ] - [ -0.0002416900000000, -0.0000428300000000, -0.0003999700000000 ] - [ -0.0017853500000000, 0.0000000000000000, 0.0013745800000000 ] - [ -0.0011790300000000, 0.0000958800000000, 0.0004087300000000 ] - [ -0.0011790300000000, -0.0000958800000000, 0.0004087300000000 ] - [ 0.0038825100000000, 0.0000000000000000, -0.0003854200000000 ] - [ -0.0003434900000000, 0.0001830100000000, 0.0002760600000000 ] - [ -0.0003434900000000, -0.0001830100000000, 0.0002760600000000 ] - [ 0.0000795200000000, -0.0003456000000000, 0.0007615200000000 ] - [ 0.0000795200000000, 0.0003456000000000, 0.0007615200000000 ] - [ 0.0001654500000000, 0.0000000000000000, 0.0007780000000000 ] - [ -0.0009506000000000, -0.0034137000000000, 0.0001526700000000 ] - [ -0.0009506000000000, 0.0034137000000000, 0.0001526700000000 ] - [ 0.0001836700000000, 0.0000000000000000, 0.0007846000000000 ] - [ 0.0015465300000000, -0.0004572700000000, 0.0010780000000000 ] - [ 0.0015465300000000, 0.0004572700000000, 0.0010780000000000 ] - [ 0.0007502000000000, 0.0000000000000000, 0.0004680900000000 ] - [ 0.0017216000000000, 0.0009968300000000, 0.0017004800000000 ] - [ 0.0017216000000000, -0.0009968300000000, 0.0017004800000000 ] - [ 0.0008552900000000, 0.0000000000000000, 0.0006020600000000 ] - [ -0.0002454300000000, 0.0000000000000000, -0.0000170100000000 ] - [ 0.0003576600000000, 0.0002831500000000, -0.0000862000000000 ] - [ 0.0003576600000000, -0.0002831500000000, -0.0000862000000000 ] - [ 0.0003674000000000, 0.0000000000000000, -0.0003619400000000 ] - [ 0.0000013000000000, -0.0000379800000000, -0.0000347300000000 ] - [ 0.0000013000000000, 0.0000379800000000, -0.0000347300000000 ] - [ 0.0072269600000000, 0.0019410600000000, -0.0003123500000000 ] - [ 0.0072269600000000, -0.0019410600000000, -0.0003123500000000 ] - [ 0.0014169900000000, 0.0000000000000000, -0.0005856200000000 ] - [ 0.0010157800000000, -0.0000404400000000, -0.0001163600000000 ] - [ 0.0010157800000000, 0.0000404400000000, -0.0001163600000000 ] - [ 0.0010458500000000, 0.0000000000000000, -0.0004312900000000 ] - [ -0.0007995300000000, 0.0001315500000000, -0.0002430800000000 ] - [ -0.0007995300000000, -0.0001315500000000, -0.0002430800000000 ] - [ -0.0009896700000000, 0.0000000000000000, 0.0001917100000000 ] - [ -0.0026929500000000, 0.0011314100000000, 0.0008445300000000 ] - [ -0.0026929500000000, -0.0011314100000000, 0.0008445300000000 ] - [ -0.0013855200000000, 0.0000000000000000, 0.0003793200000000 ] - [ 0.0003350600000000, 0.0000000000000000, 0.0008159400000000 ] - [ 0.0002299700000000, 0.0000887400000000, 0.0008069100000000 ] - [ 0.0002299700000000, -0.0000887400000000, 0.0008069100000000 ] - [ -0.0061970400000000, 0.0000000000000000, 0.0053297200000000 ] - [ 0.0001658100000000, -0.0008882900000000, 0.0008297300000000 ] - [ 0.0001658100000000, 0.0008882900000000, 0.0008297300000000 ] - [ -0.0001406200000000, 0.0000000000000000, -0.0000486700000000 ] - [ 0.0004552600000000, -0.0000816700000000, 0.0001614000000000 ] - [ 0.0004552600000000, 0.0000816700000000, 0.0001614000000000 ] - [ -0.0008648800000000, 0.0000000000000000, -0.0002433900000000 ] - [ 0.0002766200000000, 0.0002933800000000, 0.0000945100000000 ] - [ 0.0002766200000000, -0.0002933800000000, 0.0000945100000000 ] - [ -0.0014558800000000, 0.0015271400000000, -0.0009081500000000 ] - [ -0.0014558800000000, -0.0015271400000000, -0.0009081500000000 ] - [ -0.0003794200000000, 0.0000000000000000, -0.0004032500000000 ] - [ -0.0003838200000000, -0.0000724800000000, -0.0003217000000000 ] - [ -0.0003838200000000, 0.0000724800000000, -0.0003217000000000 ] - [ -0.0002301800000000, 0.0000000000000000, -0.0003160800000000 ] - [ -0.0027046200000000, 0.0000000000000000, -0.0008209700000000 ] - [ 0.0003870300000000, 0.0002101400000000, -0.0003058200000000 ] - [ 0.0003870300000000, -0.0002101400000000, -0.0003058200000000 ] - [ 0.0011112400000000, 0.0000000000000000, -0.0009712300000000 ] - [ 0.0011711400000000, 0.0000445300000000, -0.0006294200000000 ] - [ 0.0011711400000000, -0.0000445300000000, -0.0006294200000000 ] - [ 0.0005975100000000, 0.0000000000000000, -0.0001256500000000 ] - [ -0.0000982100000000, -0.0002829200000000, -0.0002949300000000 ] - [ -0.0000982100000000, 0.0002829200000000, -0.0002949300000000 ] - [ 0.0239597100000000, 0.0000000000000000, 0.0097073200000000 ] - [ -0.0003078000000000, -0.0024471800000000, -0.0003797900000000 ] - [ -0.0003078000000000, 0.0024471800000000, -0.0003797900000000 ] - [ -0.0005543000000000, -0.0000527100000000, -0.0005016800000000 ] - [ -0.0005543000000000, 0.0000527100000000, -0.0005016800000000 ] - [ -0.0001516500000000, 0.0000000000000000, -0.0002653000000000 ] - [ 0.0054315700000000, -0.0146133400000000, -0.0038414500000000 ] - [ 0.0054315700000000, 0.0146133400000000, -0.0038414500000000 ] - [ -0.0000782300000000, 0.0000000000000000, -0.0003604100000000 ]- atom: 19 displacement: [ -0.0099999834948202, 0.0000000000000000, -0.0000181687457952 ] forces: - [ 0.0006513900000000, 0.0000000000000000, 0.0021987500000000 ] - [ 0.0000099800000000, 0.0000235600000000, 0.0000863400000000 ] - [ 0.0000099800000000, -0.0000235600000000, 0.0000863400000000 ] - [ 0.0024787700000000, 0.0000000000000000, 0.0025151500000000 ] - [ 0.0001950700000000, -0.0002705700000000, 0.0000958500000000 ] - [ 0.0001950700000000, 0.0002705700000000, 0.0000958500000000 ] - [ -0.0018114900000000, 0.0000000000000000, 0.0008002600000000 ] - [ -0.0005501900000000, 0.0001087300000000, 0.0001068700000000 ] - [ -0.0005501900000000, -0.0001087300000000, 0.0001068700000000 ] - [ -0.0007378600000000, 0.0000000000000000, -0.0009503600000000 ] - [ -0.0003687500000000, 0.0000932500000000, -0.0001144700000000 ] - [ -0.0003687500000000, -0.0000932500000000, -0.0001144700000000 ] - [ 0.0003080300000000, -0.0002188300000000, 0.0002569200000000 ] - [ 0.0003080300000000, 0.0002188300000000, 0.0002569200000000 ] - [ 0.0002650500000000, 0.0000000000000000, 0.0000168800000000 ] - [ 0.0020627600000000, -0.0023441200000000, -0.0008339000000000 ] - [ 0.0020627600000000, 0.0023441200000000, -0.0008339000000000 ] - [ 0.0004031300000000, 0.0000000000000000, 0.0000298100000000 ] - [ 0.0384419600000000, 0.0000000000000000, 0.0066086500000000 ] - [ 0.0002181200000000, -0.0004323800000000, 0.0000933700000000 ] - [ 0.0002181200000000, 0.0004323800000000, 0.0000933700000000 ] - [ 0.0001206700000000, 0.0000000000000000, 0.0002481000000000 ] - [ -0.0000602300000000, -0.0000100600000000, 0.0000963500000000 ] - [ -0.0000602300000000, 0.0000100600000000, 0.0000963500000000 ] - [ 0.0002277200000000, -0.0038314600000000, 0.0009131700000000 ] - [ 0.0002277200000000, 0.0038314600000000, 0.0009131700000000 ] - [ -0.0001719200000000, 0.0000000000000000, -0.0005062800000000 ] - [ -0.0000445600000000, -0.0001684000000000, -0.0001297600000000 ] - [ -0.0000445600000000, 0.0001684000000000, -0.0001297600000000 ] - [ -0.0002842100000000, 0.0000000000000000, -0.0004253800000000 ] - [ -0.0003182600000000, -0.0000486700000000, -0.0004354300000000 ] - [ -0.0003182600000000, 0.0000486700000000, -0.0004354300000000 ] - [ -0.0000748900000000, 0.0000000000000000, -0.0000179900000000 ] - [ -0.0008089500000000, -0.0002127700000000, -0.0000989200000000 ] - [ -0.0008089500000000, 0.0002127700000000, -0.0000989200000000 ] - [ -0.0001681600000000, 0.0000000000000000, 0.0000669900000000 ] - [ -0.0002071700000000, 0.0015124100000000, -0.0015227400000000 ] - [ -0.0002071700000000, -0.0015124100000000, -0.0015227400000000 ] - [ -0.0004013000000000, 0.0000000000000000, -0.0001007800000000 ] - [ -0.0006355400000000, 0.0001832100000000, 0.0005013700000000 ] - [ -0.0006355400000000, -0.0001832100000000, 0.0005013700000000 ] - [ -0.0004996200000000, 0.0000000000000000, 0.0000882100000000 ] - [ 0.0001231000000000, 0.0000000000000000, -0.0003961000000000 ] - [ 0.0002798300000000, -0.0000594600000000, -0.0000841500000000 ] - [ 0.0002798300000000, 0.0000594600000000, -0.0000841500000000 ] - [ -0.0018353100000000, 0.0000000000000000, 0.0002219900000000 ] - [ -0.0000211000000000, -0.0002380900000000, -0.0000429600000000 ] - [ -0.0000211000000000, 0.0002380900000000, -0.0000429600000000 ] - [ -0.0011597600000000, -0.0002194400000000, -0.0000465200000000 ] - [ -0.0011597600000000, 0.0002194400000000, -0.0000465200000000 ] - [ -0.0001767900000000, 0.0000000000000000, 0.0000005200000000 ] - [ -0.0001509000000000, -0.0000730500000000, -0.0000897300000000 ] - [ -0.0001509000000000, 0.0000730500000000, -0.0000897300000000 ] - [ -0.0000354800000000, 0.0000000000000000, -0.0000049700000000 ] - [ -0.0029497900000000, 0.0000000000000000, -0.0015593500000000 ] - [ -0.0005763800000000, -0.0003673600000000, -0.0005212100000000 ] - [ -0.0005763800000000, 0.0003673600000000, -0.0005212100000000 ] - [ -0.0005156300000000, 0.0000000000000000, -0.0007727100000000 ] - [ -0.0003469100000000, -0.0000436500000000, -0.0005657800000000 ] - [ -0.0003469100000000, 0.0000436500000000, -0.0005657800000000 ] - [ -0.0003588100000000, 0.0000000000000000, -0.0007902200000000 ] - [ -0.0009640000000000, -0.0000977800000000, 0.0001755400000000 ] - [ -0.0009640000000000, 0.0000977800000000, 0.0001755400000000 ] - [ -0.0061255000000000, 0.0000000000000000, 0.0007977400000000 ] - [ -0.0017968300000000, -0.0001827300000000, 0.0003031000000000 ] - [ -0.0017968300000000, 0.0001827300000000, 0.0003031000000000 ] - [ 0.0002814300000000, 0.0003440700000000, 0.0007980000000000 ] - [ 0.0002814300000000, -0.0003440700000000, 0.0007980000000000 ] - [ 0.0001939700000000, 0.0000000000000000, 0.0007870400000000 ] - [ 0.0013155200000000, 0.0034196200000000, 0.0014160900000000 ] - [ 0.0013155200000000, -0.0034196200000000, 0.0014160900000000 ] - [ 0.0001778000000000, 0.0000000000000000, 0.0007759200000000 ] - [ -0.0002172000000000, 0.0004539400000000, -0.0002278100000000 ] - [ -0.0002172000000000, -0.0004539400000000, -0.0002278100000000 ] - [ 0.0005854800000000, 0.0000000000000000, 0.0003813800000000 ] - [ -0.0003808600000000, -0.0009943500000000, -0.0008563000000000 ] - [ -0.0003808600000000, 0.0009943500000000, -0.0008563000000000 ] - [ 0.0004782900000000, 0.0000000000000000, 0.0002451200000000 ] - [ -0.0005894800000000, 0.0000000000000000, -0.0002152000000000 ] - [ -0.0006817000000000, -0.0002845000000000, -0.0004188200000000 ] - [ -0.0006817000000000, 0.0002845000000000, -0.0004188200000000 ] - [ -0.0006886300000000, 0.0000000000000000, -0.0001429500000000 ] - [ -0.0003208000000000, 0.0000379100000000, -0.0004659700000000 ] - [ -0.0003208000000000, -0.0000379100000000, -0.0004659700000000 ] - [ -0.0049792800000000, -0.0019500500000000, -0.0007082900000000 ] - [ -0.0049792800000000, 0.0019500500000000, -0.0007082900000000 ] - [ 0.0008116600000000, 0.0000000000000000, -0.0004369200000000 ] - [ 0.0012150000000000, 0.0000405000000000, -0.0009070500000000 ] - [ 0.0012150000000000, -0.0000405000000000, -0.0009070500000000 ] - [ 0.0011866100000000, 0.0000000000000000, -0.0005903400000000 ] - [ -0.0013419800000000, -0.0001326700000000, 0.0008230800000000 ] - [ -0.0013419800000000, 0.0001326700000000, 0.0008230800000000 ] - [ -0.0011546300000000, 0.0000000000000000, 0.0003966300000000 ] - [ 0.0005490100000000, -0.0011268100000000, -0.0002584300000000 ] - [ 0.0005490100000000, 0.0011268100000000, -0.0002584300000000 ] - [ -0.0007555200000000, 0.0000000000000000, 0.0001999900000000 ] - [ 0.0000251300000000, 0.0000000000000000, 0.0007479600000000 ] - [ 0.0001311200000000, -0.0000880000000000, 0.0007558500000000 ] - [ 0.0001311200000000, 0.0000880000000000, 0.0007558500000000 ] - [ 0.0067853900000000, 0.0000000000000000, -0.0038095500000000 ] - [ 0.0001978000000000, 0.0008898300000000, 0.0007298000000000 ] - [ 0.0001978000000000, -0.0008898300000000, 0.0007298000000000 ] - [ 0.0014733800000000, 0.0000000000000000, 0.0008949400000000 ] - [ 0.0008781400000000, 0.0000775100000000, 0.0006861700000000 ] - [ 0.0008781400000000, -0.0000775100000000, 0.0006861700000000 ] - [ 0.0021894800000000, 0.0000000000000000, 0.0010946700000000 ] - [ 0.0010592000000000, -0.0002949400000000, 0.0007560800000000 ] - [ 0.0010592000000000, 0.0002949400000000, 0.0007560800000000 ] - [ 0.0011358700000000, -0.0015142200000000, 0.0004073900000000 ] - [ 0.0011358700000000, 0.0015142200000000, 0.0004073900000000 ] - [ 0.0000555800000000, 0.0000000000000000, -0.0001031900000000 ] - [ 0.0000607400000000, 0.0000719600000000, -0.0001801300000000 ] - [ 0.0000607400000000, -0.0000719600000000, -0.0001801300000000 ] - [ -0.0000886000000000, 0.0000000000000000, -0.0001856300000000 ] - [ 0.0049324000000000, 0.0000000000000000, -0.0002098900000000 ] - [ 0.0018428400000000, -0.0002151000000000, -0.0007168700000000 ] - [ 0.0018428400000000, 0.0002151000000000, -0.0007168700000000 ] - [ 0.0011214400000000, 0.0000000000000000, -0.0000535900000000 ] - [ 0.0010600800000000, -0.0000399000000000, -0.0003961200000000 ] - [ 0.0010600800000000, 0.0000399000000000, -0.0003961200000000 ] - [ -0.0009050100000000, 0.0000000000000000, -0.0004922000000000 ] - [ -0.0002085800000000, 0.0002838100000000, -0.0003280700000000 ] - [ -0.0002085800000000, -0.0002838100000000, -0.0003280700000000 ] - [ -0.0245972800000000, 0.0000000000000000, -0.0104793800000000 ] - [ 0.0000017700000000, 0.0024572400000000, -0.0002409300000000 ] - [ 0.0000017700000000, -0.0024572400000000, -0.0002409300000000 ] - [ 0.0002471700000000, 0.0000550900000000, -0.0001231300000000 ] - [ 0.0002471700000000, -0.0000550900000000, -0.0001231300000000 ] - [ -0.0001566100000000, 0.0000000000000000, -0.0003617300000000 ] - [ -0.0057341800000000, 0.0144981100000000, 0.0031865300000000 ] - [ -0.0057341800000000, -0.0144981100000000, 0.0031865300000000 ] - [ -0.0002244500000000, 0.0000000000000000, -0.0002607100000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000488300000000, -0.0009728400000000, 0.0000202700000000 ] - [ -0.0002196000000000, 0.0003363900000000, 0.0002845400000000 ] - [ 0.0001168200000000, 0.0003324300000000, -0.0002264100000000 ] - [ -0.0000555700000000, -0.0019018900000000, 0.0000426600000000 ] - [ -0.0001548900000000, 0.0005599800000000, -0.0003520800000000 ] - [ 0.0000468600000000, 0.0005619100000000, 0.0004117200000000 ] - [ -0.0004446300000000, -0.0000628200000000, -0.0000027100000000 ] - [ -0.0005250700000000, 0.0001017400000000, 0.0001191000000000 ] - [ -0.0003661800000000, 0.0001023800000000, -0.0001204600000000 ] - [ -0.0004457000000000, -0.0000349100000000, 0.0000015100000000 ] - [ -0.0005179600000000, 0.0000771800000000, -0.0001764300000000 ] - [ -0.0003751400000000, 0.0000777300000000, 0.0001737500000000 ] - [ 0.0005011300000000, -0.0001065900000000, -0.0000456800000000 ] - [ 0.0000634100000000, -0.0001048800000000, 0.0000286700000000 ] - [ 0.0002794700000000, 0.0001832800000000, -0.0000153600000000 ] - [ 0.0026125000000000, 0.0034255000000000, 0.0046429600000000 ] - [ -0.0020798300000000, 0.0034654300000000, -0.0047332200000000 ] - [ 0.0002800900000000, 0.0005026900000000, -0.0000103600000000 ] - [ -0.0002003200000000, -0.0297219600000000, 0.0000027900000000 ] - [ -0.0004859700000000, 0.0017322300000000, -0.0001358400000000 ] - [ 0.0003692900000000, 0.0017312600000000, 0.0002106000000000 ] - [ -0.0000582100000000, -0.0003147900000000, 0.0000364800000000 ] - [ -0.0000675500000000, 0.0001575600000000, 0.0000082800000000 ] - [ -0.0000468800000000, 0.0001611900000000, 0.0000616800000000 ] - [ 0.0034629200000000, 0.0027992400000000, -0.0031566100000000 ] - [ -0.0041100300000000, 0.0028276000000000, 0.0022345200000000 ] - [ -0.0003023800000000, 0.0004486500000000, -0.0004722700000000 ] - [ -0.0000463800000000, -0.0000853500000000, 0.0000477300000000 ] - [ -0.0005547800000000, -0.0000903000000000, -0.0010027300000000 ] - [ -0.0003017600000000, 0.0001586500000000, -0.0004768000000000 ] - [ -0.0002625200000000, -0.0000716800000000, -0.0004905000000000 ] - [ 0.0001540400000000, -0.0000757200000000, 0.0005507000000000 ] - [ -0.0000492300000000, 0.0001572800000000, 0.0000312500000000 ] - [ -0.0000941900000000, -0.0000943300000000, 0.0002235400000000 ] - [ -0.0000048900000000, -0.0000987200000000, -0.0001638700000000 ] - [ -0.0000544900000000, 0.0001929000000000, 0.0000288700000000 ] - [ -0.0016377800000000, 0.0010139000000000, -0.0027731600000000 ] - [ 0.0007585900000000, 0.0010164600000000, 0.0027898100000000 ] - [ -0.0004471500000000, 0.0004133900000000, 0.0000004800000000 ] - [ -0.0008358500000000, -0.0000991900000000, 0.0001930300000000 ] - [ -0.0000560500000000, -0.0001003500000000, -0.0001958400000000 ] - [ -0.0004425700000000, 0.0001807900000000, 0.0000022200000000 ] - [ 0.0002799500000000, -0.0003970100000000, -0.0000119600000000 ] - [ 0.0003364800000000, 0.0001929700000000, 0.0001090200000000 ] - [ 0.0002220500000000, 0.0001953800000000, -0.0001324400000000 ] - [ 0.0002796000000000, -0.0003719400000000, -0.0000112100000000 ] - [ 0.0005172200000000, 0.0001960900000000, -0.0001435100000000 ] - [ 0.0000450300000000, 0.0001959300000000, 0.0001187400000000 ] - [ -0.0002772300000000, -0.0001642900000000, 0.0001423900000000 ] - [ 0.0001599600000000, -0.0001663200000000, -0.0000706400000000 ] - [ -0.0000560400000000, 0.0003085300000000, 0.0000346500000000 ] - [ -0.0001327000000000, -0.0000748900000000, -0.0000520600000000 ] - [ 0.0000161400000000, -0.0000754100000000, 0.0001163700000000 ] - [ -0.0000579100000000, 0.0001467800000000, 0.0000328500000000 ] - [ -0.0003081600000000, -0.0011035900000000, -0.0004753100000000 ] - [ 0.0000183500000000, 0.0005179400000000, -0.0002628500000000 ] - [ -0.0006193200000000, 0.0005209300000000, -0.0006896900000000 ] - [ -0.0003029500000000, -0.0001685500000000, -0.0004721900000000 ] - [ -0.0002957000000000, 0.0000855000000000, -0.0005152300000000 ] - [ -0.0003065000000000, 0.0000843400000000, -0.0004352100000000 ] - [ -0.0010742600000000, 0.0002737600000000, 0.0002962500000000 ] - [ -0.0009431400000000, -0.0001708100000000, 0.0001625700000000 ] - [ -0.0011979700000000, -0.0001621300000000, 0.0004205100000000 ] - [ -0.0010732400000000, 0.0073506900000000, 0.0003105900000000 ] - [ -0.0002840700000000, -0.0010325100000000, 0.0007835800000000 ] - [ -0.0018491100000000, -0.0010324500000000, -0.0002012500000000 ] - [ 0.0001771200000000, 0.0003693800000000, 0.0007977800000000 ] - [ 0.0001860800000000, 0.0003713400000000, 0.0007629400000000 ] - [ 0.0001777800000000, -0.0007538200000000, 0.0007830400000000 ] - [ -0.0010084200000000, 0.0006322800000000, 0.0004361700000000 ] - [ 0.0013746000000000, 0.0006505400000000, 0.0011293200000000 ] - [ 0.0001830300000000, -0.0014368500000000, 0.0007802800000000 ] - [ 0.0002207800000000, -0.0000457200000000, 0.0021750800000000 ] - [ 0.0011055600000000, -0.0000379600000000, -0.0013290600000000 ] - [ 0.0006652400000000, -0.0004258600000000, 0.0004201000000000 ] - [ 0.0014926400000000, 0.0000734200000000, -0.0020068200000000 ] - [ -0.0001695900000000, 0.0000875300000000, 0.0028662600000000 ] - [ 0.0006613200000000, -0.0008314800000000, 0.0004211200000000 ] - [ -0.0001487600000000, 0.0067289700000000, -0.0002591300000000 ] - [ 0.0006300900000000, -0.0008681300000000, -0.0003034500000000 ] - [ -0.0009432200000000, -0.0008711900000000, -0.0001945200000000 ] - [ -0.0001588300000000, 0.0004598000000000, -0.0002563500000000 ] - [ -0.0000342200000000, -0.0002488200000000, 0.0000871300000000 ] - [ -0.0002801200000000, -0.0002535000000000, -0.0005788200000000 ] - [ 0.0062429700000000, -0.0026357300000000, -0.0017248800000000 ] - [ -0.0039661400000000, -0.0020647100000000, 0.0007500400000000 ] - [ 0.0011124300000000, -0.0011840800000000, -0.0005126200000000 ] - [ 0.0012063900000000, 0.0001444200000000, -0.0005755500000000 ] - [ 0.0010247000000000, 0.0001437900000000, -0.0004570600000000 ] - [ 0.0011171000000000, -0.0002710400000000, -0.0005088000000000 ] - [ -0.0009228600000000, 0.0001195500000000, 0.0010129600000000 ] - [ -0.0012233800000000, 0.0001209800000000, -0.0004275900000000 ] - [ -0.0010740300000000, -0.0003149700000000, 0.0002960900000000 ] - [ -0.0009321400000000, 0.0005079800000000, 0.0002615900000000 ] - [ -0.0012135500000000, 0.0005149300000000, 0.0003260700000000 ] - [ -0.0010735000000000, -0.0008763100000000, 0.0002894100000000 ] - [ 0.0001797400000000, 0.0013473100000000, 0.0007818900000000 ] - [ 0.0001420300000000, -0.0006886200000000, 0.0006313700000000 ] - [ 0.0002177200000000, -0.0006903900000000, 0.0009295700000000 ] - [ 0.0001887200000000, 0.0087397100000000, 0.0007809700000000 ] - [ -0.0008220900000000, -0.0033569000000000, 0.0014064100000000 ] - [ 0.0011801700000000, -0.0033485800000000, 0.0001540400000000 ] - [ 0.0006651500000000, 0.0005533600000000, 0.0004274400000000 ] - [ 0.0005378700000000, -0.0002743300000000, 0.0000964900000000 ] - [ 0.0007893000000000, -0.0002760200000000, 0.0007460700000000 ] - [ 0.0006590400000000, 0.0004168900000000, 0.0004213700000000 ] - [ 0.0008412700000000, -0.0002534800000000, 0.0005820000000000 ] - [ 0.0004837900000000, -0.0002569300000000, 0.0002616700000000 ] - [ 0.0024307100000000, 0.0003428400000000, 0.0004356600000000 ] - [ -0.0027594900000000, 0.0003523300000000, -0.0009458500000000 ] - [ -0.0001605600000000, -0.0008408800000000, -0.0002485100000000 ] - [ -0.0000923300000000, 0.0001363100000000, -0.0002855600000000 ] - [ -0.0002267500000000, 0.0001402600000000, -0.0002204300000000 ] - [ -0.0001536900000000, -0.0002782700000000, -0.0002482600000000 ] - [ 0.0011171000000000, 0.0006651600000000, -0.0005147700000000 ] - [ 0.0010059700000000, -0.0003886900000000, -0.0003890200000000 ] - [ 0.0012268300000000, -0.0003827300000000, -0.0006382300000000 ] - [ 0.0011193800000000, 0.0002267300000000, -0.0005155000000000 ] - [ 0.0011119900000000, -0.0001151200000000, -0.0004892100000000 ] - [ 0.0011205900000000, -0.0001193000000000, -0.0005354900000000 ] - [ -0.0001547900000000, -0.0005939600000000, -0.0003101500000000 ] - [ -0.0002263400000000, 0.0002957900000000, -0.0002633500000000 ] - [ -0.0000815700000000, 0.0002959400000000, -0.0003579100000000 ] - [ -0.0000979900000000, -0.0057164100000000, -0.0002958700000000 ] - [ -0.0011609200000000, 0.0014884500000000, -0.0006999300000000 ] - [ 0.0008436900000000, 0.0014912200000000, 0.0000843500000000 ] - [ -0.0005210500000000, -0.0005250500000000, -0.0014054300000000 ] - [ 0.0002213900000000, -0.0005303700000000, 0.0007905200000000 ] - [ -0.0001523600000000, 0.0010439000000000, -0.0003139900000000 ] - [ -0.0144319600000000, 0.0024358800000000, 0.0062982300000000 ] - [ 0.0142302500000000, 0.0024405200000000, -0.0069518400000000 ] - [ -0.0001491100000000, 0.0044882700000000, -0.0003102600000000 ]- atom: 19 displacement: [ -0.0033530628758559, 0.0000000000000000, 0.0094210917281681 ] forces: - [ -0.0020834600000000, 0.0000000000000000, 0.0034709300000000 ] - [ -0.0001233100000000, 0.0002751000000000, -0.0000560500000000 ] - [ -0.0001233100000000, -0.0002751000000000, -0.0000560500000000 ] - [ -0.0010173700000000, 0.0000000000000000, 0.0063335600000000 ] - [ 0.0000529500000000, -0.0003218100000000, 0.0000554000000000 ] - [ 0.0000529500000000, 0.0003218100000000, 0.0000554000000000 ] - [ -0.0012559200000000, 0.0000000000000000, 0.0005326800000000 ] - [ -0.0004998300000000, 0.0000873900000000, -0.0000549400000000 ] - [ -0.0004998300000000, -0.0000873900000000, -0.0000549400000000 ] - [ -0.0003275400000000, 0.0000000000000000, 0.0008436400000000 ] - [ -0.0004095300000000, -0.0000980500000000, 0.0000635200000000 ] - [ -0.0004095300000000, 0.0000980500000000, 0.0000635200000000 ] - [ 0.0000384500000000, -0.0001099400000000, 0.0002841200000000 ] - [ 0.0000384500000000, 0.0001099400000000, 0.0002841200000000 ] - [ 0.0002530400000000, 0.0000000000000000, -0.0000025200000000 ] - [ 0.0016493600000000, 0.0036226300000000, 0.0006359200000000 ] - [ 0.0016493600000000, -0.0036226300000000, 0.0006359200000000 ] - [ 0.0002870300000000, 0.0000000000000000, -0.0000098600000000 ] - [ 0.0068877200000000, 0.0000000000000000, -0.0305904400000000 ] - [ -0.0000245400000000, 0.0000174000000000, 0.0000597200000000 ] - [ -0.0000245400000000, -0.0000174000000000, 0.0000597200000000 ] - [ -0.0002063700000000, 0.0000000000000000, 0.0003484000000000 ] - [ -0.0001235000000000, 0.0000206900000000, 0.0001454500000000 ] - [ -0.0001235000000000, -0.0000206900000000, 0.0001454500000000 ] - [ -0.0015947500000000, -0.0038724400000000, -0.0002834900000000 ] - [ -0.0015947500000000, 0.0038724400000000, -0.0002834900000000 ] - [ -0.0002725200000000, 0.0000000000000000, -0.0005520300000000 ] - [ -0.0003691700000000, 0.0000795200000000, 0.0000511700000000 ] - [ -0.0003691700000000, -0.0000795200000000, 0.0000511700000000 ] - [ -0.0003241800000000, 0.0000000000000000, -0.0004194400000000 ] - [ -0.0000116700000000, -0.0000920100000000, -0.0001234400000000 ] - [ -0.0000116700000000, 0.0000920100000000, -0.0001234400000000 ] - [ -0.0000401800000000, 0.0000000000000000, -0.0000204400000000 ] - [ -0.0001412700000000, 0.0002760100000000, 0.0001673400000000 ] - [ -0.0001412700000000, -0.0002760100000000, 0.0001673400000000 ] - [ -0.0000516200000000, 0.0000000000000000, 0.0001041000000000 ] - [ 0.0007824300000000, -0.0022332400000000, 0.0004867100000000 ] - [ 0.0007824300000000, 0.0022332400000000, 0.0004867100000000 ] - [ -0.0004180300000000, 0.0000000000000000, -0.0000974300000000 ] - [ -0.0006526200000000, 0.0001298900000000, 0.0004906300000000 ] - [ -0.0006526200000000, -0.0001298900000000, 0.0004906300000000 ] - [ -0.0004810100000000, 0.0000000000000000, 0.0000892000000000 ] - [ 0.0005969100000000, 0.0000000000000000, 0.0003584400000000 ] - [ 0.0003533200000000, 0.0000968200000000, -0.0000021200000000 ] - [ 0.0003533200000000, -0.0000968200000000, -0.0000021200000000 ] - [ -0.0006487400000000, 0.0000000000000000, -0.0001010700000000 ] - [ 0.0002136500000000, -0.0002035500000000, -0.0000520900000000 ] - [ 0.0002136500000000, 0.0002035500000000, -0.0000520900000000 ] - [ -0.0003555700000000, -0.0001721900000000, -0.0002930800000000 ] - [ -0.0003555700000000, 0.0001721900000000, -0.0002930800000000 ] - [ -0.0000704300000000, 0.0000000000000000, 0.0000152500000000 ] - [ 0.0000231100000000, 0.0000550900000000, 0.0002334800000000 ] - [ 0.0000231100000000, -0.0000550900000000, 0.0002334800000000 ] - [ -0.0000194400000000, 0.0000000000000000, 0.0000528500000000 ] - [ -0.0007363000000000, 0.0000000000000000, -0.0013748400000000 ] - [ -0.0003244900000000, -0.0000373200000000, -0.0005473300000000 ] - [ -0.0003244900000000, 0.0000373200000000, -0.0005473300000000 ] - [ -0.0001840000000000, 0.0000000000000000, 0.0000245500000000 ] - [ -0.0002699000000000, -0.0000350300000000, -0.0003901800000000 ] - [ -0.0002699000000000, 0.0000350300000000, -0.0003901800000000 ] - [ -0.0003293100000000, 0.0000000000000000, -0.0007044200000000 ] - [ -0.0008345000000000, -0.0001421100000000, 0.0001559000000000 ] - [ -0.0008345000000000, 0.0001421100000000, 0.0001559000000000 ] - [ -0.0060387700000000, 0.0000000000000000, 0.0094347000000000 ] - [ -0.0012548700000000, 0.0001596100000000, 0.0005073300000000 ] - [ -0.0012548700000000, -0.0001596100000000, 0.0005073300000000 ] - [ 0.0002229000000000, 0.0000351500000000, 0.0005576800000000 ] - [ 0.0002229000000000, -0.0000351500000000, 0.0005576800000000 ] - [ 0.0001966800000000, 0.0000000000000000, 0.0007234500000000 ] - [ -0.0000798300000000, 0.0001952700000000, 0.0022145600000000 ] - [ -0.0000798300000000, -0.0001952700000000, 0.0022145600000000 ] - [ 0.0001733900000000, 0.0000000000000000, 0.0008423800000000 ] - [ 0.0007166300000000, 0.0013462700000000, -0.0012032000000000 ] - [ 0.0007166300000000, -0.0013462700000000, -0.0012032000000000 ] - [ 0.0006901600000000, 0.0000000000000000, 0.0005138700000000 ] - [ 0.0012673700000000, -0.0017697900000000, -0.0000744700000000 ] - [ 0.0012673700000000, 0.0017697900000000, -0.0000744700000000 ] - [ 0.0006692300000000, 0.0000000000000000, 0.0003750400000000 ] - [ 0.0021938400000000, 0.0000000000000000, 0.0083279000000000 ] - [ -0.0001373200000000, -0.0001755300000000, 0.0000560100000000 ] - [ -0.0001373200000000, 0.0001755300000000, 0.0000560100000000 ] - [ -0.0001711500000000, 0.0000000000000000, -0.0015612600000000 ] - [ -0.0002329000000000, 0.0001168800000000, -0.0005822400000000 ] - [ -0.0002329000000000, -0.0001168800000000, -0.0005822400000000 ] - [ -0.0013651200000000, -0.0001772800000000, 0.0060950200000000 ] - [ -0.0013651200000000, 0.0001772800000000, 0.0060950200000000 ] - [ 0.0010208400000000, 0.0000000000000000, -0.0004183700000000 ] - [ 0.0014312300000000, 0.0000358500000000, -0.0012327900000000 ] - [ 0.0014312300000000, -0.0000358500000000, -0.0012327900000000 ] - [ 0.0012300900000000, 0.0000000000000000, -0.0006224400000000 ] - [ -0.0015212700000000, 0.0002674200000000, -0.0000468500000000 ] - [ -0.0015212700000000, -0.0002674200000000, -0.0000468500000000 ] - [ -0.0011631500000000, 0.0000000000000000, 0.0003461100000000 ] - [ -0.0002667300000000, -0.0007980200000000, 0.0002521700000000 ] - [ -0.0002667300000000, 0.0007980200000000, 0.0002521700000000 ] - [ -0.0010597700000000, 0.0000000000000000, 0.0002827800000000 ] - [ 0.0001014500000000, 0.0000000000000000, 0.0000254000000000 ] - [ 0.0001218200000000, -0.0004042800000000, 0.0005724200000000 ] - [ 0.0001218200000000, 0.0004042800000000, 0.0005724200000000 ] - [ 0.0065333400000000, 0.0000000000000000, 0.0028920300000000 ] - [ 0.0000106600000000, 0.0001669900000000, 0.0010289200000000 ] - [ 0.0000106600000000, -0.0001669900000000, 0.0010289200000000 ] - [ 0.0007959400000000, 0.0000000000000000, 0.0003124400000000 ] - [ 0.0006861600000000, -0.0000254000000000, 0.0005329100000000 ] - [ 0.0006861600000000, 0.0000254000000000, 0.0005329100000000 ] - [ -0.0011366600000000, 0.0000000000000000, -0.0003223100000000 ] - [ 0.0007582600000000, 0.0000602700000000, 0.0004124700000000 ] - [ 0.0007582600000000, -0.0000602700000000, 0.0004124700000000 ] - [ -0.0002005100000000, -0.0003536200000000, 0.0006366200000000 ] - [ -0.0002005100000000, 0.0003536200000000, 0.0006366200000000 ] - [ -0.0001226300000000, 0.0000000000000000, -0.0001387900000000 ] - [ -0.0002501100000000, -0.0000667700000000, -0.0008069800000000 ] - [ -0.0002501100000000, 0.0000667700000000, -0.0008069800000000 ] - [ -0.0002212000000000, 0.0000000000000000, -0.0004183300000000 ] - [ 0.0041951900000000, 0.0000000000000000, 0.0003775300000000 ] - [ 0.0012066100000000, 0.0000555300000000, -0.0003990600000000 ] - [ 0.0012066100000000, -0.0000555300000000, -0.0003990600000000 ] - [ 0.0009380100000000, 0.0000000000000000, -0.0010067800000000 ] - [ 0.0010133000000000, -0.0000128800000000, -0.0006075800000000 ] - [ 0.0010133000000000, 0.0000128800000000, -0.0006075800000000 ] - [ -0.0005019100000000, 0.0000000000000000, 0.0009228800000000 ] - [ -0.0001949800000000, 0.0000662400000000, -0.0000778200000000 ] - [ -0.0001949800000000, -0.0000662400000000, -0.0000778200000000 ] - [ 0.0014291000000000, 0.0000000000000000, -0.0133511300000000 ] - [ -0.0002076800000000, 0.0000775800000000, -0.0004989300000000 ] - [ -0.0002076800000000, -0.0000775800000000, -0.0004989300000000 ] - [ 0.0002858500000000, -0.0004564600000000, 0.0014677000000000 ] - [ 0.0002858500000000, 0.0004564600000000, 0.0014677000000000 ] - [ -0.0001692100000000, 0.0000000000000000, -0.0002896000000000 ] - [ -0.0038468200000000, 0.0096689900000000, -0.0024484800000000 ] - [ -0.0038468200000000, -0.0096689900000000, -0.0024484800000000 ] - [ -0.0002236200000000, 0.0000000000000000, -0.0003127400000000 ]- atom: 19 displacement: [ 0.0033530628758559, 0.0000000000000000, -0.0094210917281681 ] forces: - [ 0.0019247600000000, 0.0000000000000000, -0.0033514900000000 ] - [ 0.0000049200000000, -0.0002712100000000, 0.0001263300000000 ] - [ 0.0000049200000000, 0.0002712100000000, 0.0001263300000000 ] - [ 0.0009134700000000, 0.0000000000000000, -0.0063773300000000 ] - [ -0.0001724200000000, 0.0003224900000000, 0.0000194500000000 ] - [ -0.0001724200000000, -0.0003224900000000, 0.0000194500000000 ] - [ 0.0003695000000000, 0.0000000000000000, -0.0005369500000000 ] - [ -0.0003922800000000, -0.0000865200000000, 0.0000537100000000 ] - [ -0.0003922800000000, 0.0000865200000000, 0.0000537100000000 ] - [ -0.0005659000000000, 0.0000000000000000, -0.0008417500000000 ] - [ -0.0004824300000000, 0.0000977600000000, -0.0000631700000000 ] - [ -0.0004824300000000, -0.0000977600000000, -0.0000631700000000 ] - [ 0.0005151400000000, 0.0001096600000000, -0.0002978000000000 ] - [ 0.0005151400000000, -0.0001096600000000, -0.0002978000000000 ] - [ 0.0003051500000000, 0.0000000000000000, -0.0000130700000000 ] - [ -0.0011061400000000, -0.0036346200000000, -0.0006360100000000 ] - [ -0.0011061400000000, 0.0036346200000000, -0.0006360100000000 ] - [ 0.0002692900000000, 0.0000000000000000, -0.0000047000000000 ] - [ -0.0065520700000000, 0.0000000000000000, 0.0310187700000000 ] - [ -0.0000859300000000, -0.0000214100000000, -0.0000001200000000 ] - [ -0.0000859300000000, 0.0000214100000000, -0.0000001200000000 ] - [ 0.0000926100000000, 0.0000000000000000, -0.0002889900000000 ] - [ 0.0000093900000000, -0.0000197400000000, -0.0000892800000000 ] - [ 0.0000093900000000, 0.0000197400000000, -0.0000892800000000 ] - [ 0.0009968100000000, 0.0038459500000000, -0.0006963400000000 ] - [ 0.0009968100000000, -0.0038459500000000, -0.0006963400000000 ] - [ -0.0003138600000000, 0.0000000000000000, -0.0004120600000000 ] - [ -0.0002192100000000, -0.0000787400000000, -0.0010157000000000 ] - [ -0.0002192100000000, 0.0000787400000000, -0.0010157000000000 ] - [ -0.0002664100000000, 0.0000000000000000, -0.0005450700000000 ] - [ -0.0001058500000000, 0.0000919200000000, 0.0001935800000000 ] - [ -0.0001058500000000, -0.0000919200000000, 0.0001935800000000 ] - [ -0.0000769600000000, 0.0000000000000000, 0.0000893500000000 ] - [ 0.0000220500000000, -0.0002751900000000, -0.0000941300000000 ] - [ 0.0000220500000000, 0.0002751900000000, -0.0000941300000000 ] - [ -0.0000674400000000, 0.0000000000000000, -0.0000295900000000 ] - [ -0.0016615600000000, 0.0022184800000000, -0.0004968400000000 ] - [ -0.0016615600000000, -0.0022184800000000, -0.0004968400000000 ] - [ -0.0004722500000000, 0.0000000000000000, 0.0000945600000000 ] - [ -0.0002365800000000, -0.0001296200000000, -0.0004905100000000 ] - [ -0.0002365800000000, 0.0001296200000000, -0.0004905100000000 ] - [ -0.0004112300000000, 0.0000000000000000, -0.0000892400000000 ] - [ -0.0000355800000000, 0.0000000000000000, -0.0003716700000000 ] - [ 0.0002062300000000, -0.0000967000000000, -0.0000140700000000 ] - [ 0.0002062300000000, 0.0000967000000000, -0.0000140700000000 ] - [ 0.0012051000000000, 0.0000000000000000, 0.0000859400000000 ] - [ 0.0003426500000000, 0.0002040300000000, 0.0000386700000000 ] - [ 0.0003426500000000, -0.0002040300000000, 0.0000386700000000 ] - [ 0.0002445000000000, 0.0001720700000000, 0.0003513800000000 ] - [ 0.0002445000000000, -0.0001720700000000, 0.0003513800000000 ] - [ -0.0000420700000000, 0.0000000000000000, 0.0000415600000000 ] - [ -0.0001355400000000, -0.0000544900000000, -0.0001747100000000 ] - [ -0.0001355400000000, 0.0000544900000000, -0.0001747100000000 ] - [ -0.0000925000000000, 0.0000000000000000, 0.0000064000000000 ] - [ 0.0001422000000000, 0.0000000000000000, 0.0004098000000000 ] - [ -0.0002608100000000, 0.0000370800000000, -0.0004172300000000 ] - [ -0.0002608100000000, -0.0000370800000000, -0.0004172300000000 ] - [ -0.0004009000000000, 0.0000000000000000, -0.0009866800000000 ] - [ -0.0003179700000000, 0.0000349200000000, -0.0005735000000000 ] - [ -0.0003179700000000, -0.0000349200000000, -0.0005735000000000 ] - [ -0.0018109700000000, 0.0000000000000000, 0.0012921900000000 ] - [ -0.0013046900000000, 0.0001388500000000, 0.0004277600000000 ] - [ -0.0013046900000000, -0.0001388500000000, 0.0004277600000000 ] - [ 0.0036784000000000, 0.0000000000000000, -0.0092955800000000 ] - [ -0.0008847600000000, -0.0001579300000000, 0.0000706000000000 ] - [ -0.0008847600000000, 0.0001579300000000, 0.0000706000000000 ] - [ 0.0001385200000000, -0.0000363300000000, 0.0010025400000000 ] - [ 0.0001385200000000, 0.0000363300000000, 0.0010025400000000 ] - [ 0.0001629000000000, 0.0000000000000000, 0.0008413100000000 ] - [ 0.0004372500000000, -0.0001904300000000, -0.0006515200000000 ] - [ 0.0004372500000000, 0.0001904300000000, -0.0006515200000000 ] - [ 0.0001883000000000, 0.0000000000000000, 0.0007176300000000 ] - [ 0.0006197700000000, -0.0013299200000000, 0.0020340200000000 ] - [ 0.0006197700000000, 0.0013299200000000, 0.0020340200000000 ] - [ 0.0006446200000000, 0.0000000000000000, 0.0003358800000000 ] - [ 0.0000560400000000, 0.0017856800000000, 0.0009177700000000 ] - [ 0.0000560400000000, -0.0017856800000000, 0.0009177700000000 ] - [ 0.0006640100000000, 0.0000000000000000, 0.0004701800000000 ] - [ -0.0029232500000000, 0.0000000000000000, -0.0085597600000000 ] - [ -0.0001845400000000, 0.0001751800000000, -0.0005562800000000 ] - [ -0.0001845400000000, -0.0001751800000000, -0.0005562800000000 ] - [ -0.0001438100000000, 0.0000000000000000, 0.0010609600000000 ] - [ -0.0000852400000000, -0.0001184900000000, 0.0000805900000000 ] - [ -0.0000852400000000, 0.0001184900000000, 0.0000805900000000 ] - [ 0.0035937800000000, 0.0001658300000000, -0.0071199100000000 ] - [ 0.0035937800000000, -0.0001658300000000, -0.0071199100000000 ] - [ 0.0012057900000000, 0.0000000000000000, -0.0006046900000000 ] - [ 0.0007998600000000, -0.0000349600000000, 0.0002054300000000 ] - [ 0.0007998600000000, 0.0000349600000000, 0.0002054300000000 ] - [ 0.0010042000000000, 0.0000000000000000, -0.0004013300000000 ] - [ -0.0006258100000000, -0.0002659300000000, 0.0006264900000000 ] - [ -0.0006258100000000, 0.0002659300000000, 0.0006264900000000 ] - [ -0.0009844300000000, 0.0000000000000000, 0.0002435300000000 ] - [ -0.0018761100000000, 0.0007959400000000, 0.0003278600000000 ] - [ -0.0018761100000000, -0.0007959400000000, 0.0003278600000000 ] - [ -0.0010798100000000, 0.0000000000000000, 0.0002947600000000 ] - [ 0.0002570400000000, 0.0000000000000000, 0.0015296300000000 ] - [ 0.0002373200000000, 0.0003989100000000, 0.0009879100000000 ] - [ 0.0002373200000000, -0.0003989100000000, 0.0009879100000000 ] - [ -0.0060844500000000, 0.0000000000000000, -0.0014427000000000 ] - [ 0.0003514900000000, -0.0001631300000000, 0.0005273100000000 ] - [ 0.0003514900000000, 0.0001631300000000, 0.0005273100000000 ] - [ 0.0005376200000000, 0.0000000000000000, 0.0005386900000000 ] - [ 0.0006472700000000, 0.0000217900000000, 0.0003167600000000 ] - [ 0.0006472700000000, -0.0000217900000000, 0.0003167600000000 ] - [ 0.0024687700000000, 0.0000000000000000, 0.0011707700000000 ] - [ 0.0005758500000000, -0.0000595500000000, 0.0004332700000000 ] - [ 0.0005758500000000, 0.0000595500000000, 0.0004332700000000 ] - [ -0.0001102400000000, 0.0003523100000000, -0.0011349400000000 ] - [ -0.0001102400000000, -0.0003523100000000, -0.0011349400000000 ] - [ -0.0002014800000000, 0.0000000000000000, -0.0003674500000000 ] - [ -0.0000744900000000, 0.0000670900000000, 0.0003000800000000 ] - [ -0.0000744900000000, -0.0000670900000000, 0.0003000800000000 ] - [ -0.0000970400000000, 0.0000000000000000, -0.0000846300000000 ] - [ -0.0019615700000000, 0.0000000000000000, -0.0014063700000000 ] - [ 0.0010239000000000, -0.0000572900000000, -0.0006247100000000 ] - [ 0.0010239000000000, 0.0000572900000000, -0.0006247100000000 ] - [ 0.0012941700000000, 0.0000000000000000, -0.0000191200000000 ] - [ 0.0012170900000000, 0.0000168900000000, -0.0004183800000000 ] - [ 0.0012170900000000, -0.0000168900000000, -0.0004183800000000 ] - [ 0.0001912400000000, 0.0000000000000000, -0.0015465200000000 ] - [ -0.0001138800000000, -0.0000640600000000, -0.0005474300000000 ] - [ -0.0001138800000000, 0.0000640600000000, -0.0005474300000000 ] - [ -0.0016332500000000, 0.0000000000000000, 0.0127430000000000 ] - [ -0.0001003800000000, -0.0000790700000000, -0.0001220900000000 ] - [ -0.0001003800000000, 0.0000790700000000, -0.0001220900000000 ] - [ -0.0005826300000000, 0.0004514600000000, -0.0020754200000000 ] - [ -0.0005826300000000, -0.0004514600000000, -0.0020754200000000 ] - [ -0.0001380500000000, 0.0000000000000000, -0.0003386600000000 ] - [ 0.0035375500000000, -0.0096858500000000, 0.0018883100000000 ] - [ 0.0035375500000000, 0.0096858500000000, 0.0018883100000000 ] - [ -0.0000797100000000, 0.0000000000000000, -0.0003090100000000 ]- atom: 25 displacement: [ 0.0099999834948202, 0.0000000000000000, 0.0000181687457952 ] forces: - [ -0.0018730000000000, 0.0005925200000000, -0.0002921300000000 ] - [ -0.0001041000000000, 0.0000000000000000, -0.0000286100000000 ] - [ -0.0018730000000000, -0.0005925200000000, -0.0002921300000000 ] - [ -0.0005839800000000, 0.0004956400000000, -0.0002091300000000 ] - [ -0.0001637900000000, 0.0000000000000000, 0.0000551600000000 ] - [ -0.0005839800000000, -0.0004956400000000, -0.0002091300000000 ] - [ 0.0011057100000000, -0.0021845200000000, -0.0009548100000000 ] - [ -0.0003992200000000, 0.0000000000000000, -0.0000790600000000 ] - [ 0.0011057100000000, 0.0021845200000000, -0.0009548100000000 ] - [ -0.0006118300000000, -0.0001091500000000, 0.0002707500000000 ] - [ -0.0004833300000000, 0.0000000000000000, 0.0000728500000000 ] - [ -0.0006118300000000, 0.0001091500000000, 0.0002707500000000 ] - [ -0.0004174500000000, 0.0000000000000000, -0.0023719800000000 ] - [ 0.0002107100000000, -0.0001631400000000, -0.0000993800000000 ] - [ 0.0002107100000000, 0.0001631400000000, -0.0000993800000000 ] - [ -0.0022788400000000, 0.0000000000000000, -0.0019155100000000 ] - [ 0.0000253000000000, -0.0001004400000000, 0.0000237100000000 ] - [ 0.0000253000000000, 0.0001004400000000, 0.0000237100000000 ] - [ -0.0005819400000000, 0.0037955900000000, -0.0015366200000000 ] - [ -0.0001794200000000, 0.0000000000000000, 0.0000055300000000 ] - [ -0.0005819400000000, -0.0037955900000000, -0.0015366200000000 ] - [ -0.0003067700000000, 0.0002529500000000, -0.0001375600000000 ] - [ -0.0000664500000000, 0.0000000000000000, -0.0000050200000000 ] - [ -0.0003067700000000, -0.0002529500000000, -0.0001375600000000 ] - [ -0.0423973700000000, 0.0000000000000000, 0.0049932800000000 ] - [ -0.0005968200000000, -0.0004795000000000, -0.0005796100000000 ] - [ -0.0005968200000000, 0.0004795000000000, -0.0005796100000000 ] - [ -0.0007673400000000, 0.0000000000000000, -0.0010208700000000 ] - [ -0.0003498100000000, -0.0000212500000000, -0.0005664500000000 ] - [ -0.0003498100000000, 0.0000212500000000, -0.0005664500000000 ] - [ 0.0006802100000000, 0.0000000000000000, 0.0005197100000000 ] - [ 0.0000663200000000, -0.0000602700000000, 0.0000877500000000 ] - [ 0.0000663200000000, 0.0000602700000000, 0.0000877500000000 ] - [ 0.0009940500000000, 0.0000000000000000, 0.0008868400000000 ] - [ 0.0001508500000000, -0.0001760300000000, 0.0001251300000000 ] - [ 0.0001508500000000, 0.0001760300000000, 0.0001251300000000 ] - [ 0.0060445200000000, 0.0000000000000000, 0.0035293400000000 ] - [ -0.0005061300000000, 0.0001668800000000, 0.0000675700000000 ] - [ -0.0005061300000000, -0.0001668800000000, 0.0000675700000000 ] - [ 0.0000331500000000, 0.0000000000000000, -0.0000713400000000 ] - [ -0.0004008000000000, 0.0000565800000000, -0.0000665200000000 ] - [ -0.0004008000000000, -0.0000565800000000, -0.0000665200000000 ] - [ 0.0005377400000000, 0.0002109500000000, 0.0001370600000000 ] - [ 0.0002918400000000, 0.0000000000000000, 0.0000187800000000 ] - [ 0.0005377400000000, -0.0002109500000000, 0.0001370600000000 ] - [ 0.0010259200000000, 0.0000495400000000, 0.0001727300000000 ] - [ 0.0003890900000000, 0.0000000000000000, 0.0000405900000000 ] - [ 0.0010259200000000, -0.0000495400000000, 0.0001727300000000 ] - [ 0.0025966900000000, 0.0000000000000000, 0.0005013200000000 ] - [ 0.0002274700000000, -0.0003160300000000, 0.0000963300000000 ] - [ 0.0002274700000000, 0.0003160300000000, 0.0000963300000000 ] - [ 0.0001660600000000, 0.0000000000000000, 0.0002243700000000 ] - [ -0.0000046900000000, -0.0000037200000000, 0.0000737300000000 ] - [ -0.0000046900000000, 0.0000037200000000, 0.0000737300000000 ] - [ 0.0005950500000000, 0.0004283400000000, -0.0004514300000000 ] - [ -0.0001776700000000, 0.0000000000000000, -0.0005019600000000 ] - [ 0.0005950500000000, -0.0004283400000000, -0.0004514300000000 ] - [ -0.0001027400000000, 0.0000741500000000, -0.0001435200000000 ] - [ -0.0002583300000000, 0.0000000000000000, -0.0004259400000000 ] - [ -0.0001027400000000, -0.0000741500000000, -0.0001435200000000 ] - [ -0.0011696400000000, 0.0005333900000000, 0.0015127800000000 ] - [ -0.0010947500000000, 0.0000000000000000, 0.0003781500000000 ] - [ -0.0011696400000000, -0.0005333900000000, 0.0015127800000000 ] - [ 0.0008489300000000, -0.0000980600000000, 0.0000231700000000 ] - [ -0.0007610900000000, 0.0000000000000000, 0.0001914000000000 ] - [ 0.0008489300000000, 0.0000980600000000, 0.0000231700000000 ] - [ -0.0000065900000000, 0.0000000000000000, 0.0010729600000000 ] - [ 0.0001039300000000, 0.0001076700000000, 0.0008541100000000 ] - [ 0.0001039300000000, -0.0001076700000000, 0.0008541100000000 ] - [ -0.0001431400000000, 0.0000000000000000, -0.0064079800000000 ] - [ 0.0001531700000000, 0.0009091200000000, 0.0005258900000000 ] - [ 0.0001531700000000, -0.0009091200000000, 0.0005258900000000 ] - [ 0.0057342800000000, 0.0000000000000000, 0.0042174800000000 ] - [ 0.0010254900000000, -0.0000063100000000, 0.0007798900000000 ] - [ 0.0010254900000000, 0.0000063100000000, 0.0007798900000000 ] - [ 0.0007224600000000, 0.0000000000000000, 0.0036068900000000 ] - [ 0.0009502900000000, -0.0002330500000000, 0.0006450000000000 ] - [ 0.0009502900000000, 0.0002330500000000, 0.0006450000000000 ] - [ 0.0054805500000000, 0.0025032700000000, -0.0009105800000000 ] - [ 0.0000390300000000, 0.0000000000000000, -0.0001076100000000 ] - [ 0.0054805500000000, -0.0025032700000000, -0.0009105800000000 ] - [ 0.0001287000000000, -0.0001948400000000, 0.0001575100000000 ] - [ -0.0000687900000000, 0.0000000000000000, -0.0001549700000000 ] - [ 0.0001287000000000, 0.0001948400000000, 0.0001575100000000 ] - [ 0.0152268600000000, 0.0000000000000000, -0.0059744100000000 ] - [ 0.0018077500000000, -0.0002754100000000, -0.0006728300000000 ] - [ 0.0018077500000000, 0.0002754100000000, -0.0006728300000000 ] - [ 0.0016029600000000, 0.0000000000000000, -0.0011646400000000 ] - [ 0.0011968000000000, -0.0000644100000000, -0.0003934400000000 ] - [ 0.0011968000000000, 0.0000644100000000, -0.0003934400000000 ] - [ -0.0014498500000000, 0.0000000000000000, -0.0006661100000000 ] - [ -0.0011062000000000, -0.0001543500000000, 0.0002373100000000 ] - [ -0.0011062000000000, 0.0001543500000000, 0.0002373100000000 ] - [ -0.0022530300000000, 0.0000000000000000, 0.0001545500000000 ] - [ -0.0017039400000000, -0.0001778200000000, 0.0003727800000000 ] - [ -0.0017039400000000, 0.0001778200000000, 0.0003727800000000 ] - [ 0.0000706800000000, -0.0010743700000000, 0.0004753700000000 ] - [ 0.0002055400000000, 0.0000000000000000, 0.0007987800000000 ] - [ 0.0000706800000000, 0.0010743700000000, 0.0004753700000000 ] - [ -0.0009254100000000, -0.0032784900000000, 0.0013627500000000 ] - [ 0.0001776000000000, 0.0000000000000000, 0.0007683600000000 ] - [ -0.0009254100000000, 0.0032784900000000, 0.0013627500000000 ] - [ 0.0000197900000000, -0.0000567800000000, 0.0004056300000000 ] - [ 0.0005473400000000, 0.0000000000000000, 0.0003671800000000 ] - [ 0.0000197900000000, 0.0000567800000000, 0.0004056300000000 ] - [ 0.0002023000000000, 0.0007807800000000, -0.0004252200000000 ] - [ 0.0004519100000000, 0.0000000000000000, 0.0001905000000000 ] - [ 0.0002023000000000, -0.0007807800000000, -0.0004252200000000 ] - [ -0.0037116000000000, 0.0000000000000000, -0.0015245500000000 ] - [ -0.0005613600000000, -0.0001975700000000, -0.0004780300000000 ] - [ -0.0005613600000000, 0.0001975700000000, -0.0004780300000000 ] - [ -0.0005561400000000, 0.0000000000000000, -0.0006895800000000 ] - [ -0.0003227700000000, -0.0000610900000000, -0.0004885400000000 ] - [ -0.0003227700000000, 0.0000610900000000, -0.0004885400000000 ] - [ -0.0004253400000000, 0.0012115100000000, -0.0008923300000000 ] - [ 0.0008309500000000, 0.0000000000000000, -0.0004535100000000 ] - [ -0.0004253400000000, -0.0012115100000000, -0.0008923300000000 ] - [ 0.0010693600000000, -0.0000285600000000, -0.0006836600000000 ] - [ 0.0010991200000000, 0.0000000000000000, -0.0005577900000000 ] - [ 0.0010693600000000, 0.0000285600000000, -0.0006836600000000 ] - [ 0.0004714300000000, -0.0001599000000000, -0.0009164900000000 ] - [ -0.0001242600000000, 0.0000000000000000, -0.0003495300000000 ] - [ 0.0004714300000000, 0.0001599000000000, -0.0009164900000000 ] - [ 0.0004096800000000, -0.0086803600000000, 0.0053548800000000 ] - [ -0.0001792900000000, 0.0000000000000000, -0.0002442900000000 ] - [ 0.0004096800000000, 0.0086803600000000, 0.0053548800000000 ] - [ 0.0015143200000000, 0.0000000000000000, 0.0018867000000000 ] - [ -0.0003098300000000, 0.0007410600000000, -0.0003598000000000 ] - [ -0.0003098300000000, -0.0007410600000000, -0.0003598000000000 ] - [ 0.0081048600000000, 0.0000000000000000, -0.0042748900000000 ] - [ -0.0001464000000000, 0.0019672200000000, -0.0002490100000000 ] - [ -0.0001464000000000, -0.0019672200000000, -0.0002490100000000 ]- atom: 25 displacement: [ -0.0099999834948202, 0.0000000000000000, -0.0000181687457952 ] forces: - [ 0.0017499400000000, -0.0006101800000000, 0.0003504600000000 ] - [ -0.0000144600000000, 0.0000000000000000, 0.0001018400000000 ] - [ 0.0017499400000000, 0.0006101800000000, 0.0003504600000000 ] - [ 0.0004622000000000, -0.0004962300000000, 0.0002798900000000 ] - [ 0.0000459700000000, 0.0000000000000000, 0.0000215500000000 ] - [ 0.0004622000000000, 0.0004962300000000, 0.0002798900000000 ] - [ -0.0020048900000000, 0.0022151700000000, 0.0009632300000000 ] - [ -0.0004909300000000, 0.0000000000000000, 0.0000787100000000 ] - [ -0.0020048900000000, -0.0022151700000000, 0.0009632300000000 ] - [ -0.0002778600000000, 0.0001096400000000, -0.0002710000000000 ] - [ -0.0004086100000000, 0.0000000000000000, -0.0000729900000000 ] - [ -0.0002778600000000, -0.0001096400000000, -0.0002710000000000 ] - [ 0.0009850600000000, 0.0000000000000000, 0.0023729700000000 ] - [ 0.0003491100000000, 0.0001648800000000, 0.0000844900000000 ] - [ 0.0003491100000000, -0.0001648800000000, 0.0000844900000000 ] - [ 0.0028198800000000, 0.0000000000000000, 0.0019122600000000 ] - [ 0.0005314100000000, 0.0001004400000000, -0.0000361800000000 ] - [ 0.0005314100000000, -0.0001004400000000, -0.0000361800000000 ] - [ 0.0004553000000000, -0.0037702700000000, 0.0015824200000000 ] - [ 0.0000658600000000, 0.0000000000000000, 0.0000510500000000 ] - [ 0.0004553000000000, 0.0037702700000000, 0.0015824200000000 ] - [ 0.0001959100000000, -0.0002544900000000, 0.0001972600000000 ] - [ -0.0000440300000000, 0.0000000000000000, 0.0000640800000000 ] - [ 0.0001959100000000, 0.0002544900000000, 0.0001972600000000 ] - [ 0.0406419000000000, 0.0000000000000000, -0.0053631500000000 ] - [ 0.0000089200000000, 0.0004770100000000, -0.0003838100000000 ] - [ 0.0000089200000000, -0.0004770100000000, -0.0003838100000000 ] - [ 0.0001864200000000, 0.0000000000000000, 0.0000571200000000 ] - [ -0.0002369600000000, 0.0000209900000000, -0.0003980400000000 ] - [ -0.0002369600000000, -0.0000209900000000, -0.0003980400000000 ] - [ -0.0008055800000000, 0.0000000000000000, -0.0004431500000000 ] - [ -0.0001844500000000, 0.0000610100000000, -0.0000123800000000 ] - [ -0.0001844500000000, -0.0000610100000000, -0.0000123800000000 ] - [ -0.0011114700000000, 0.0000000000000000, -0.0008175400000000 ] - [ -0.0002690000000000, 0.0001767900000000, -0.0000522300000000 ] - [ -0.0002690000000000, -0.0001767900000000, -0.0000522300000000 ] - [ -0.0068079200000000, 0.0000000000000000, -0.0034595100000000 ] - [ -0.0003858700000000, -0.0001655900000000, -0.0000661300000000 ] - [ -0.0003858700000000, 0.0001655900000000, -0.0000661300000000 ] - [ -0.0009258200000000, 0.0000000000000000, 0.0000667700000000 ] - [ -0.0004894700000000, -0.0000562000000000, 0.0000649500000000 ] - [ -0.0004894700000000, 0.0000562000000000, 0.0000649500000000 ] - [ 0.0000184300000000, -0.0002114200000000, -0.0001496400000000 ] - [ 0.0002665400000000, 0.0000000000000000, -0.0000316600000000 ] - [ 0.0000184300000000, 0.0002114200000000, -0.0001496400000000 ] - [ -0.0004692200000000, -0.0000479500000000, -0.0001892400000000 ] - [ 0.0001705900000000, 0.0000000000000000, -0.0000544300000000 ] - [ -0.0004692200000000, 0.0000479500000000, -0.0001892400000000 ] - [ -0.0027303900000000, 0.0000000000000000, -0.0004593500000000 ] - [ -0.0003368200000000, 0.0003197200000000, -0.0000375400000000 ] - [ -0.0003368200000000, -0.0003197200000000, -0.0000375400000000 ] - [ -0.0002784400000000, 0.0000000000000000, -0.0001673900000000 ] - [ -0.0001072900000000, 0.0000043000000000, -0.0000149000000000 ] - [ -0.0001072900000000, -0.0000043000000000, -0.0000149000000000 ] - [ -0.0011798500000000, -0.0004275700000000, -0.0005110400000000 ] - [ -0.0004095500000000, 0.0000000000000000, -0.0004639400000000 ] - [ -0.0011798500000000, 0.0004275700000000, -0.0005110400000000 ] - [ -0.0004840600000000, -0.0000745100000000, -0.0008212500000000 ] - [ -0.0003281000000000, 0.0000000000000000, -0.0005382100000000 ] - [ -0.0004840600000000, 0.0000745100000000, -0.0008212500000000 ] - [ -0.0009756700000000, -0.0005422600000000, -0.0009357300000000 ] - [ -0.0010503500000000, 0.0000000000000000, 0.0002053300000000 ] - [ -0.0009756700000000, 0.0005422600000000, -0.0009357300000000 ] - [ -0.0029813500000000, 0.0000926300000000, 0.0005560500000000 ] - [ -0.0013745300000000, 0.0000000000000000, 0.0003878800000000 ] - [ -0.0029813500000000, -0.0000926300000000, 0.0005560500000000 ] - [ 0.0003706800000000, 0.0000000000000000, 0.0004861600000000 ] - [ 0.0002582100000000, -0.0001085200000000, 0.0007074200000000 ] - [ 0.0002582100000000, 0.0001085200000000, 0.0007074200000000 ] - [ 0.0004238300000000, 0.0000000000000000, 0.0079622300000000 ] - [ 0.0002062200000000, -0.0009043100000000, 0.0010325200000000 ] - [ 0.0002062200000000, 0.0009043100000000, 0.0010325200000000 ] - [ -0.0043915500000000, 0.0000000000000000, -0.0033477900000000 ] - [ 0.0003101200000000, 0.0000088200000000, 0.0000680900000000 ] - [ 0.0003101200000000, -0.0000088200000000, 0.0000680900000000 ] - [ 0.0006061800000000, 0.0000000000000000, -0.0027523700000000 ] - [ 0.0003849900000000, 0.0002345000000000, 0.0002043100000000 ] - [ 0.0003849900000000, -0.0002345000000000, 0.0002043100000000 ] - [ -0.0058247900000000, -0.0024811000000000, 0.0003965400000000 ] - [ -0.0003597700000000, 0.0000000000000000, -0.0003964600000000 ] - [ -0.0058247900000000, 0.0024811000000000, 0.0003965400000000 ] - [ -0.0004496900000000, 0.0001959100000000, -0.0006620100000000 ] - [ -0.0002514300000000, 0.0000000000000000, -0.0003424700000000 ] - [ -0.0004496900000000, -0.0001959100000000, -0.0006620100000000 ] - [ -0.0119658100000000, 0.0000000000000000, 0.0043571500000000 ] - [ 0.0004240800000000, 0.0002727300000000, -0.0003495900000000 ] - [ 0.0004240800000000, -0.0002727300000000, -0.0003495900000000 ] - [ 0.0006158000000000, 0.0000000000000000, 0.0001505900000000 ] - [ 0.0010338500000000, 0.0000628200000000, -0.0006291900000000 ] - [ 0.0010338500000000, -0.0000628200000000, -0.0006291900000000 ] - [ -0.0006762300000000, 0.0000000000000000, 0.0012359100000000 ] - [ -0.0010353900000000, 0.0001534100000000, 0.0003441600000000 ] - [ -0.0010353900000000, -0.0001534100000000, 0.0003441600000000 ] - [ 0.0001122900000000, 0.0000000000000000, 0.0004344400000000 ] - [ -0.0004382200000000, 0.0001727800000000, 0.0002088300000000 ] - [ -0.0004382200000000, -0.0001727800000000, 0.0002088300000000 ] - [ 0.0002925600000000, 0.0010916400000000, 0.0010894100000000 ] - [ 0.0001563100000000, 0.0000000000000000, 0.0007638400000000 ] - [ 0.0002925600000000, -0.0010916400000000, 0.0010894100000000 ] - [ 0.0012815300000000, 0.0032768000000000, 0.0002042700000000 ] - [ 0.0001822900000000, 0.0000000000000000, 0.0007944700000000 ] - [ 0.0012815300000000, -0.0032768000000000, 0.0002042700000000 ] - [ 0.0013172000000000, 0.0000565800000000, 0.0004403300000000 ] - [ 0.0007862100000000, 0.0000000000000000, 0.0004781600000000 ] - [ 0.0013172000000000, -0.0000565800000000, 0.0004403300000000 ] - [ 0.0011325700000000, -0.0007815600000000, 0.0012777100000000 ] - [ 0.0008849300000000, 0.0000000000000000, 0.0006571800000000 ] - [ 0.0011325700000000, 0.0007815600000000, 0.0012777100000000 ] - [ 0.0033923100000000, 0.0000000000000000, 0.0010315500000000 ] - [ 0.0002391800000000, 0.0001973100000000, -0.0000245700000000 ] - [ 0.0002391800000000, -0.0001973100000000, -0.0000245700000000 ] - [ 0.0002352700000000, 0.0000000000000000, 0.0001855800000000 ] - [ 0.0000028600000000, 0.0000625600000000, -0.0000101900000000 ] - [ 0.0000028600000000, -0.0000625600000000, -0.0000101900000000 ] - [ 0.0026511500000000, -0.0012302500000000, -0.0001206500000000 ] - [ 0.0013970300000000, 0.0000000000000000, -0.0005663500000000 ] - [ 0.0026511500000000, 0.0012302500000000, -0.0001206500000000 ] - [ 0.0011639600000000, 0.0000271700000000, -0.0003422000000000 ] - [ 0.0011354200000000, 0.0000000000000000, -0.0004673600000000 ] - [ 0.0011639600000000, -0.0000271700000000, -0.0003422000000000 ] - [ -0.0007820900000000, 0.0001610600000000, 0.0003010200000000 ] - [ -0.0001822900000000, 0.0000000000000000, -0.0002738200000000 ] - [ -0.0007820900000000, -0.0001610600000000, 0.0003010200000000 ] - [ -0.0006760000000000, 0.0087091700000000, -0.0059833700000000 ] - [ -0.0001303500000000, 0.0000000000000000, -0.0003769600000000 ] - [ -0.0006760000000000, -0.0087091700000000, -0.0059833700000000 ] - [ -0.0018307900000000, 0.0000000000000000, -0.0025110000000000 ] - [ 0.0000037900000000, -0.0007484300000000, -0.0002635600000000 ] - [ 0.0000037900000000, 0.0007484300000000, -0.0002635600000000 ] - [ -0.0083638300000000, 0.0000000000000000, 0.0036206800000000 ] - [ -0.0001588300000000, -0.0019620100000000, -0.0003746800000000 ] - [ -0.0001588300000000, 0.0019620100000000, -0.0003746800000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005350200000000, 0.0030310400000000, 0.0047244300000000 ] - [ -0.0000569700000000, 0.0003526100000000, 0.0000351200000000 ] - [ -0.0006454600000000, 0.0029913000000000, -0.0045973300000000 ] - [ 0.0004427700000000, -0.0000914000000000, -0.0001554300000000 ] - [ -0.0000561600000000, 0.0001827900000000, 0.0000340400000000 ] - [ -0.0005491600000000, -0.0000865900000000, 0.0002197700000000 ] - [ -0.0026575100000000, 0.0005846200000000, 0.0011982500000000 ] - [ -0.0004467000000000, 0.0003546500000000, 0.0000005500000000 ] - [ 0.0017506000000000, 0.0005846900000000, -0.0011908400000000 ] - [ -0.0006408900000000, -0.0000905800000000, -0.0003921700000000 ] - [ -0.0004456800000000, 0.0001653700000000, -0.0000013300000000 ] - [ -0.0002522500000000, -0.0000896200000000, 0.0003879400000000 ] - [ 0.0002818700000000, -0.0009743400000000, -0.0000101900000000 ] - [ 0.0002521600000000, 0.0003359000000000, 0.0002742900000000 ] - [ 0.0003019600000000, 0.0003345200000000, -0.0002913000000000 ] - [ 0.0002763800000000, -0.0018983200000000, 0.0000014700000000 ] - [ 0.0005500600000000, 0.0005612300000000, -0.0002546900000000 ] - [ 0.0000080000000000, 0.0005589500000000, 0.0002385000000000 ] - [ 0.0037975500000000, 0.0028316700000000, -0.0027225900000000 ] - [ -0.0000531400000000, 0.0004476100000000, 0.0000337300000000 ] - [ -0.0038633200000000, 0.0027974400000000, 0.0027444200000000 ] - [ 0.0001125500000000, -0.0000888700000000, 0.0001755600000000 ] - [ -0.0000550300000000, 0.0001569300000000, 0.0000310500000000 ] - [ -0.0002229900000000, -0.0000849500000000, -0.0001119100000000 ] - [ -0.0001323900000000, -0.0247268600000000, -0.0004122900000000 ] - [ 0.0001822200000000, 0.0015745300000000, -0.0002564900000000 ] - [ -0.0007759100000000, 0.0015720900000000, -0.0006982400000000 ] - [ -0.0002930800000000, -0.0003011200000000, -0.0004782500000000 ] - [ -0.0002758300000000, 0.0001431200000000, -0.0005180700000000 ] - [ -0.0003200200000000, 0.0001445300000000, -0.0004418400000000 ] - [ -0.0000602500000000, -0.0003277700000000, 0.0000312100000000 ] - [ -0.0001187700000000, 0.0001558200000000, 0.0001007200000000 ] - [ 0.0000059000000000, 0.0001564100000000, -0.0000311900000000 ] - [ -0.0000551500000000, -0.0003157900000000, 0.0000333800000000 ] - [ -0.0002346000000000, 0.0001617600000000, -0.0002257800000000 ] - [ 0.0001180500000000, 0.0001641300000000, 0.0002925100000000 ] - [ -0.0004549800000000, -0.0018904800000000, -0.0000033400000000 ] - [ -0.0002216800000000, 0.0002450800000000, 0.0001357400000000 ] - [ -0.0006680500000000, 0.0002446300000000, -0.0001328500000000 ] - [ -0.0004482500000000, -0.0000942400000000, -0.0000023100000000 ] - [ -0.0003920500000000, 0.0000443400000000, -0.0000366400000000 ] - [ -0.0004975500000000, 0.0000450600000000, 0.0000372100000000 ] - [ 0.0002301000000000, -0.0000740400000000, 0.0000714700000000 ] - [ 0.0002756100000000, 0.0001558100000000, -0.0000113300000000 ] - [ 0.0003258700000000, -0.0000716100000000, -0.0000870500000000 ] - [ 0.0000633700000000, -0.0000956100000000, -0.0003788300000000 ] - [ 0.0002751800000000, 0.0001922200000000, -0.0000096500000000 ] - [ 0.0004931500000000, -0.0000963000000000, 0.0003597900000000 ] - [ -0.0000571200000000, -0.0011007500000000, 0.0000332400000000 ] - [ -0.0004290800000000, 0.0005194300000000, -0.0000610700000000 ] - [ 0.0003140400000000, 0.0005173100000000, 0.0001225000000000 ] - [ -0.0000584200000000, -0.0001683100000000, 0.0000292900000000 ] - [ -0.0000986600000000, 0.0000851100000000, 0.0000512900000000 ] - [ -0.0000140000000000, 0.0000851200000000, 0.0000079600000000 ] - [ -0.0007273300000000, -0.0000957700000000, -0.0002672600000000 ] - [ -0.0002960600000000, 0.0002016500000000, -0.0004790200000000 ] - [ 0.0001274100000000, -0.0000897400000000, -0.0006887100000000 ] - [ -0.0003713400000000, -0.0000156200000000, -0.0006027300000000 ] - [ -0.0002971200000000, 0.0000476400000000, -0.0004805500000000 ] - [ -0.0002229200000000, -0.0000143400000000, -0.0003559700000000 ] - [ -0.0002105400000000, -0.0000334100000000, -0.0012672700000000 ] - [ -0.0010708500000000, -0.0003914500000000, 0.0002902900000000 ] - [ -0.0019313300000000, -0.0000313200000000, 0.0018441600000000 ] - [ -0.0017167400000000, 0.0001808300000000, 0.0025614100000000 ] - [ -0.0010691600000000, -0.0008252400000000, 0.0002861700000000 ] - [ -0.0004336600000000, 0.0001753100000000, -0.0019591300000000 ] - [ 0.0001817300000000, 0.0012426500000000, 0.0007817200000000 ] - [ 0.0002865100000000, -0.0006347700000000, 0.0006935200000000 ] - [ 0.0000727800000000, -0.0006366400000000, 0.0008692200000000 ] - [ 0.0001727600000000, 0.0081114200000000, 0.0007768600000000 ] - [ 0.0006492100000000, -0.0033418300000000, 0.0018083500000000 ] - [ -0.0002869400000000, -0.0033301400000000, -0.0002444600000000 ] - [ 0.0006452300000000, 0.0037387800000000, 0.0003541100000000 ] - [ 0.0001693300000000, -0.0007779500000000, -0.0005905000000000 ] - [ 0.0011598000000000, -0.0007802300000000, 0.0014278300000000 ] - [ 0.0006642500000000, 0.0004344300000000, 0.0004151700000000 ] - [ 0.0004573400000000, -0.0002492000000000, 0.0005510400000000 ] - [ 0.0008713000000000, -0.0002579000000000, 0.0002967300000000 ] - [ 0.0033014300000000, -0.0016099700000000, 0.0037135300000000 ] - [ -0.0001602200000000, -0.0010484800000000, -0.0002474900000000 ] - [ -0.0036763900000000, -0.0021424500000000, -0.0042109500000000 ] - [ -0.0001763500000000, 0.0001257200000000, -0.0001836400000000 ] - [ -0.0001578900000000, -0.0002448300000000, -0.0002441300000000 ] - [ -0.0001460900000000, 0.0001239200000000, -0.0003204300000000 ] - [ 0.0010597900000000, 0.0041642200000000, -0.0004797700000000 ] - [ 0.0000622000000000, -0.0009463500000000, -0.0000685900000000 ] - [ 0.0021606100000000, -0.0009366800000000, -0.0009492300000000 ] - [ 0.0011094200000000, 0.0001638700000000, -0.0005086200000000 ] - [ 0.0010168800000000, -0.0001407400000000, -0.0006535900000000 ] - [ 0.0012185700000000, -0.0001403900000000, -0.0003698200000000 ] - [ -0.0010646200000000, 0.0001969900000000, 0.0002950300000000 ] - [ -0.0011650000000000, -0.0001116900000000, 0.0001053500000000 ] - [ -0.0009837900000000, -0.0001069500000000, 0.0004803300000000 ] - [ -0.0010731700000000, 0.0005004900000000, 0.0002951000000000 ] - [ -0.0008165700000000, -0.0002414100000000, 0.0003773800000000 ] - [ -0.0013248300000000, -0.0002366000000000, 0.0002043800000000 ] - [ 0.0001390100000000, 0.0009350100000000, 0.0006395700000000 ] - [ 0.0001784900000000, -0.0009279300000000, 0.0007811000000000 ] - [ 0.0002224800000000, 0.0009159300000000, 0.0009228500000000 ] - [ 0.0001759700000000, 0.0010152400000000, 0.0008670400000000 ] - [ 0.0001791400000000, -0.0011601600000000, 0.0007819100000000 ] - [ 0.0001840100000000, 0.0009970300000000, 0.0006934700000000 ] - [ 0.0010561700000000, 0.0001310100000000, 0.0000900800000000 ] - [ 0.0006668100000000, -0.0002907000000000, 0.0004177400000000 ] - [ 0.0002793800000000, 0.0001263100000000, 0.0007630400000000 ] - [ 0.0008464800000000, 0.0004460500000000, 0.0006029300000000 ] - [ 0.0006678600000000, -0.0007691500000000, 0.0004214200000000 ] - [ 0.0004854400000000, 0.0004385700000000, 0.0002486100000000 ] - [ -0.0001507900000000, 0.0005267100000000, -0.0002513500000000 ] - [ -0.0001550800000000, -0.0002826000000000, -0.0002552800000000 ] - [ -0.0001643400000000, -0.0002934200000000, -0.0002469700000000 ] - [ -0.0001608800000000, 0.0002108900000000, -0.0002555900000000 ] - [ -0.0001228300000000, -0.0000873400000000, -0.0001358800000000 ] - [ -0.0001916400000000, -0.0000930100000000, -0.0003587600000000 ] - [ 0.0036003700000000, 0.0003483700000000, 0.0003451200000000 ] - [ 0.0011153400000000, -0.0008123900000000, -0.0005075300000000 ] - [ -0.0013426700000000, 0.0003478300000000, -0.0013716900000000 ] - [ 0.0011638100000000, 0.0001112100000000, -0.0004261400000000 ] - [ 0.0011173300000000, -0.0002230200000000, -0.0005079200000000 ] - [ 0.0010713800000000, 0.0001104000000000, -0.0006004300000000 ] - [ -0.0010800700000000, -0.0004893400000000, 0.0002413500000000 ] - [ -0.0001544800000000, 0.0009546000000000, -0.0003127200000000 ] - [ 0.0007678200000000, -0.0004873100000000, -0.0008605100000000 ] - [ -0.0073670700000000, 0.0015690900000000, -0.0124697400000000 ] - [ -0.0001559500000000, 0.0043150800000000, -0.0003092100000000 ] - [ 0.0069984700000000, 0.0015561100000000, 0.0117641200000000 ] - [ -0.0001553200000000, 0.0000351500000000, -0.0003134300000000 ] - [ 0.0002456000000000, 0.0002442900000000, 0.0004594800000000 ] - [ -0.0005479900000000, 0.0002550300000000, -0.0010795200000000 ] - [ -0.0001640900000000, -0.0005275200000000, -0.0003019100000000 ] - [ 0.0004866300000000, 0.0005199900000000, -0.0007456700000000 ] - [ -0.0007837000000000, 0.0005279100000000, 0.0001221600000000 ]- atom: 25 displacement: [ -0.0033530628758559, 0.0000000000000000, 0.0094210917281681 ] forces: - [ 0.0002487900000000, 0.0042104200000000, 0.0008271900000000 ] - [ -0.0001032000000000, 0.0000000000000000, -0.0001722700000000 ] - [ 0.0002487900000000, -0.0042104200000000, 0.0008271900000000 ] - [ -0.0001127200000000, -0.0003437300000000, 0.0008041600000000 ] - [ -0.0000060500000000, 0.0000000000000000, 0.0002449700000000 ] - [ -0.0001127200000000, 0.0003437300000000, 0.0008041600000000 ] - [ -0.0014532200000000, 0.0015382200000000, -0.0006205900000000 ] - [ -0.0004322500000000, 0.0000000000000000, -0.0002271900000000 ] - [ -0.0014532200000000, -0.0015382200000000, -0.0006205900000000 ] - [ -0.0004873600000000, -0.0000959700000000, 0.0007099400000000 ] - [ -0.0004446800000000, 0.0000000000000000, 0.0002276000000000 ] - [ -0.0004873600000000, 0.0000959700000000, 0.0007099400000000 ] - [ -0.0015435300000000, 0.0000000000000000, 0.0035087800000000 ] - [ 0.0002577400000000, 0.0002957100000000, -0.0000839600000000 ] - [ 0.0002577400000000, -0.0002957100000000, -0.0000839600000000 ] - [ -0.0011852600000000, 0.0000000000000000, 0.0060988600000000 ] - [ 0.0003091400000000, -0.0003261000000000, -0.0000178100000000 ] - [ 0.0003091400000000, 0.0003261000000000, -0.0000178100000000 ] - [ -0.0011868800000000, -0.0037925600000000, 0.0003010300000000 ] - [ 0.0000077000000000, 0.0000000000000000, -0.0000246700000000 ] - [ -0.0011868800000000, 0.0037925600000000, 0.0003010300000000 ] - [ -0.0003035400000000, 0.0004090800000000, 0.0005012000000000 ] - [ -0.0001056300000000, 0.0000000000000000, 0.0000832100000000 ] - [ -0.0003035400000000, -0.0004090800000000, 0.0005012000000000 ] - [ 0.0179856800000000, 0.0000000000000000, -0.0443925400000000 ] - [ -0.0002850700000000, -0.0000515200000000, -0.0008189600000000 ] - [ -0.0002850700000000, 0.0000515200000000, -0.0008189600000000 ] - [ -0.0006428800000000, 0.0000000000000000, 0.0006416000000000 ] - [ -0.0003545600000000, 0.0000423600000000, -0.0000939800000000 ] - [ -0.0003545600000000, -0.0000423600000000, -0.0000939800000000 ] - [ 0.0001438400000000, 0.0000000000000000, -0.0011281700000000 ] - [ -0.0000521300000000, 0.0000822000000000, -0.0002927500000000 ] - [ -0.0000521300000000, -0.0000822000000000, -0.0002927500000000 ] - [ 0.0003912100000000, 0.0000000000000000, 0.0012954700000000 ] - [ -0.0000461700000000, -0.0001850900000000, 0.0003599000000000 ] - [ -0.0000461700000000, 0.0001850900000000, 0.0003599000000000 ] - [ 0.0009316400000000, 0.0000000000000000, -0.0035072800000000 ] - [ -0.0003367700000000, 0.0000017600000000, -0.0004682200000000 ] - [ -0.0003367700000000, -0.0000017600000000, -0.0004682200000000 ] - [ -0.0006413600000000, 0.0000000000000000, 0.0010793400000000 ] - [ -0.0005338900000000, -0.0000087900000000, 0.0004566200000000 ] - [ -0.0005338900000000, 0.0000087900000000, 0.0004566200000000 ] - [ 0.0006404300000000, 0.0004172400000000, -0.0000547700000000 ] - [ 0.0003253800000000, 0.0000000000000000, -0.0000522100000000 ] - [ 0.0006404300000000, -0.0004172400000000, -0.0000547700000000 ] - [ 0.0001536500000000, -0.0001979200000000, 0.0001098300000000 ] - [ 0.0002155100000000, 0.0000000000000000, 0.0000349200000000 ] - [ 0.0001536500000000, 0.0001979200000000, 0.0001098300000000 ] - [ 0.0000711300000000, 0.0000000000000000, -0.0006599600000000 ] - [ -0.0001123900000000, -0.0000937900000000, -0.0000454400000000 ] - [ -0.0001123900000000, 0.0000937900000000, -0.0000454400000000 ] - [ 0.0001417100000000, 0.0000000000000000, 0.0005661600000000 ] - [ 0.0000043600000000, 0.0000384700000000, 0.0001344300000000 ] - [ 0.0000043600000000, -0.0000384700000000, 0.0001344300000000 ] - [ -0.0005625900000000, -0.0003431700000000, -0.0010670300000000 ] - [ -0.0003515600000000, 0.0000000000000000, -0.0006889200000000 ] - [ -0.0005625900000000, 0.0003431700000000, -0.0010670300000000 ] - [ -0.0000394500000000, 0.0000917800000000, 0.0002039100000000 ] - [ -0.0002540700000000, 0.0000000000000000, -0.0002901500000000 ] - [ -0.0000394500000000, -0.0000917800000000, 0.0002039100000000 ] - [ 0.0003951700000000, -0.0014828300000000, -0.0008021800000000 ] - [ -0.0009714000000000, 0.0000000000000000, 0.0003790700000000 ] - [ 0.0003951700000000, 0.0014828300000000, -0.0008021800000000 ] - [ -0.0017869700000000, 0.0017668200000000, -0.0004721200000000 ] - [ -0.0011948500000000, 0.0000000000000000, 0.0002146500000000 ] - [ -0.0017869700000000, -0.0017668200000000, -0.0004721200000000 ] - [ 0.0005088200000000, 0.0000000000000000, 0.0003577400000000 ] - [ 0.0003354200000000, -0.0004732000000000, 0.0006675400000000 ] - [ 0.0003354200000000, 0.0004732000000000, 0.0006675400000000 ] - [ -0.0059126800000000, 0.0000000000000000, -0.0012517400000000 ] - [ 0.0001815500000000, 0.0002696200000000, 0.0009952400000000 ] - [ 0.0001815500000000, -0.0002696200000000, 0.0009952400000000 ] - [ 0.0011026100000000, 0.0000000000000000, 0.0127358800000000 ] - [ 0.0007762100000000, -0.0004706300000000, 0.0010639900000000 ] - [ 0.0007762100000000, 0.0004706300000000, 0.0010639900000000 ] - [ 0.0009276900000000, 0.0000000000000000, -0.0027421200000000 ] - [ 0.0006000500000000, 0.0003416000000000, -0.0002010500000000 ] - [ 0.0006000500000000, -0.0003416000000000, -0.0002010500000000 ] - [ -0.0020676500000000, 0.0004829600000000, 0.0063272700000000 ] - [ -0.0001156000000000, 0.0000000000000000, 0.0001836800000000 ] - [ -0.0020676500000000, -0.0004829600000000, 0.0063272700000000 ] - [ -0.0000500000000000, -0.0000729100000000, -0.0014730200000000 ] - [ -0.0002047000000000, 0.0000000000000000, -0.0006991300000000 ] - [ -0.0000500000000000, 0.0000729100000000, -0.0014730200000000 ] - [ -0.0075399700000000, 0.0000000000000000, 0.0072266100000000 ] - [ 0.0008948200000000, 0.0004604200000000, -0.0001556800000000 ] - [ 0.0008948200000000, -0.0004604200000000, -0.0001556800000000 ] - [ 0.0026071600000000, 0.0000000000000000, -0.0033894300000000 ] - [ 0.0013181400000000, -0.0003949400000000, -0.0008723300000000 ] - [ 0.0013181400000000, 0.0003949400000000, -0.0008723300000000 ] - [ -0.0045457700000000, 0.0000000000000000, 0.0004814900000000 ] - [ -0.0013318000000000, -0.0003234200000000, 0.0005455100000000 ] - [ -0.0013318000000000, 0.0003234200000000, 0.0005455100000000 ] - [ -0.0014551500000000, 0.0000000000000000, -0.0000038300000000 ] - [ -0.0007863600000000, 0.0003591500000000, 0.0000318400000000 ] - [ -0.0007863600000000, -0.0003591500000000, 0.0000318400000000 ] - [ -0.0003373000000000, -0.0032463000000000, -0.0002399400000000 ] - [ 0.0001568500000000, 0.0000000000000000, 0.0007600100000000 ] - [ -0.0003373000000000, 0.0032463000000000, -0.0002399400000000 ] - [ 0.0010444500000000, 0.0028015500000000, 0.0003129800000000 ] - [ 0.0001930700000000, 0.0000000000000000, 0.0007970400000000 ] - [ 0.0010444500000000, -0.0028015500000000, 0.0003129800000000 ] - [ 0.0010455400000000, -0.0001750900000000, 0.0012272500000000 ] - [ 0.0007218600000000, 0.0000000000000000, 0.0008373200000000 ] - [ 0.0010455400000000, 0.0001750900000000, 0.0012272500000000 ] - [ 0.0001067700000000, 0.0006844400000000, -0.0006298100000000 ] - [ 0.0006404000000000, 0.0000000000000000, 0.0000574500000000 ] - [ 0.0001067700000000, -0.0006844400000000, -0.0006298100000000 ] - [ 0.0025172400000000, 0.0000000000000000, 0.0022025000000000 ] - [ 0.0000216500000000, 0.0002628300000000, 0.0003990600000000 ] - [ 0.0000216500000000, -0.0002628300000000, 0.0003990600000000 ] - [ -0.0004358600000000, 0.0000000000000000, -0.0011675700000000 ] - [ -0.0004491800000000, -0.0002587400000000, -0.0010357900000000 ] - [ -0.0004491800000000, 0.0002587400000000, -0.0010357900000000 ] - [ 0.0012753700000000, 0.0004811900000000, 0.0001756700000000 ] - [ 0.0011925700000000, 0.0000000000000000, -0.0004109000000000 ] - [ 0.0012753700000000, -0.0004811900000000, 0.0001756700000000 ] - [ 0.0008776500000000, -0.0002153400000000, -0.0009140500000000 ] - [ 0.0010736200000000, 0.0000000000000000, -0.0006405300000000 ] - [ 0.0008776500000000, 0.0002153400000000, -0.0009140500000000 ] - [ -0.0013195500000000, 0.0006390500000000, 0.0006154500000000 ] - [ -0.0001436800000000, 0.0000000000000000, -0.0002899100000000 ] - [ -0.0013195500000000, -0.0006390500000000, 0.0006154500000000 ] - [ 0.0034820500000000, -0.0079547800000000, 0.0000417800000000 ] - [ -0.0000954600000000, 0.0000000000000000, -0.0002774000000000 ] - [ 0.0034820500000000, 0.0079547800000000, 0.0000417800000000 ] - [ 0.0032139100000000, 0.0000000000000000, 0.0070789300000000 ] - [ -0.0000331900000000, 0.0020409100000000, -0.0002665100000000 ] - [ -0.0000331900000000, -0.0020409100000000, -0.0002665100000000 ] - [ -0.0062019000000000, 0.0000000000000000, 0.0033855300000000 ] - [ -0.0002112600000000, -0.0018361400000000, -0.0004172600000000 ] - [ -0.0002112600000000, 0.0018361400000000, -0.0004172600000000 ]- atom: 25 displacement: [ 0.0033530628758559, 0.0000000000000000, -0.0094210917281681 ] forces: - [ -0.0003546600000000, -0.0041702400000000, -0.0007588400000000 ] - [ -0.0000131700000000, 0.0000000000000000, 0.0002455800000000 ] - [ -0.0003546600000000, 0.0041702400000000, -0.0007588400000000 ] - [ -0.0000039800000000, 0.0003421900000000, -0.0007319900000000 ] - [ -0.0001100500000000, 0.0000000000000000, -0.0001684500000000 ] - [ -0.0000039800000000, -0.0003421900000000, -0.0007319900000000 ] - [ 0.0005588000000000, -0.0015284200000000, 0.0006095000000000 ] - [ -0.0004587000000000, 0.0000000000000000, 0.0002266700000000 ] - [ 0.0005588000000000, 0.0015284200000000, 0.0006095000000000 ] - [ -0.0004049900000000, 0.0000955700000000, -0.0007100100000000 ] - [ -0.0004477100000000, 0.0000000000000000, -0.0002259700000000 ] - [ -0.0004049900000000, -0.0000955700000000, -0.0007100100000000 ] - [ 0.0020804700000000, 0.0000000000000000, -0.0034538200000000 ] - [ 0.0003019200000000, -0.0002918000000000, 0.0000696800000000 ] - [ 0.0003019200000000, 0.0002918000000000, 0.0000696800000000 ] - [ 0.0017756600000000, 0.0000000000000000, -0.0062295700000000 ] - [ 0.0002477500000000, 0.0003281000000000, 0.0000058300000000 ] - [ 0.0002477500000000, -0.0003281000000000, 0.0000058300000000 ] - [ 0.0010831900000000, 0.0038224000000000, -0.0002264800000000 ] - [ -0.0001208500000000, 0.0000000000000000, 0.0000848900000000 ] - [ 0.0010831900000000, -0.0038224000000000, -0.0002264800000000 ] - [ 0.0001929300000000, -0.0004097800000000, -0.0004384700000000 ] - [ -0.0000054500000000, 0.0000000000000000, -0.0000247700000000 ] - [ 0.0001929300000000, 0.0004097800000000, -0.0004384700000000 ] - [ -0.0197577000000000, 0.0000000000000000, 0.0428549800000000 ] - [ -0.0003031200000000, 0.0000473900000000, -0.0001439200000000 ] - [ -0.0003031200000000, -0.0000473900000000, -0.0001439200000000 ] - [ 0.0000592000000000, 0.0000000000000000, -0.0015997900000000 ] - [ -0.0002331200000000, -0.0000426400000000, -0.0008680100000000 ] - [ -0.0002331200000000, 0.0000426400000000, -0.0008680100000000 ] - [ -0.0002674000000000, 0.0000000000000000, 0.0011961200000000 ] - [ -0.0000650700000000, -0.0000820200000000, 0.0003653900000000 ] - [ -0.0000650700000000, 0.0000820200000000, 0.0003653900000000 ] - [ -0.0005066500000000, 0.0000000000000000, -0.0012209900000000 ] - [ -0.0000734000000000, 0.0001843900000000, -0.0002849700000000 ] - [ -0.0000734000000000, -0.0001843900000000, -0.0002849700000000 ] - [ -0.0018471700000000, 0.0000000000000000, 0.0034953200000000 ] - [ -0.0005550700000000, -0.0000014100000000, 0.0004683200000000 ] - [ -0.0005550700000000, 0.0000014100000000, 0.0004683200000000 ] - [ -0.0002530800000000, 0.0000000000000000, -0.0010795500000000 ] - [ -0.0003562400000000, 0.0000090400000000, -0.0004546300000000 ] - [ -0.0003562400000000, -0.0000090400000000, -0.0004546300000000 ] - [ -0.0000828600000000, -0.0004171200000000, 0.0000416100000000 ] - [ 0.0002313100000000, 0.0000000000000000, 0.0000379800000000 ] - [ -0.0000828600000000, 0.0004171200000000, 0.0000416100000000 ] - [ 0.0004039000000000, 0.0002002000000000, -0.0001206700000000 ] - [ 0.0003422800000000, 0.0000000000000000, -0.0000488800000000 ] - [ 0.0004039000000000, -0.0002002000000000, -0.0001206700000000 ] - [ -0.0001818000000000, 0.0000000000000000, 0.0007230900000000 ] - [ 0.0000023500000000, 0.0000937300000000, 0.0001055600000000 ] - [ 0.0000023500000000, -0.0000937300000000, 0.0001055600000000 ] - [ -0.0002542100000000, 0.0000000000000000, -0.0005062500000000 ] - [ -0.0001169400000000, -0.0000377500000000, -0.0000738000000000 ] - [ -0.0001169400000000, 0.0000377500000000, -0.0000738000000000 ] - [ -0.0000233600000000, 0.0003408300000000, 0.0001036400000000 ] - [ -0.0002362800000000, 0.0000000000000000, -0.0002759300000000 ] - [ -0.0000233600000000, -0.0003408300000000, 0.0001036400000000 ] - [ -0.0005473700000000, -0.0000912500000000, -0.0011642200000000 ] - [ -0.0003356400000000, 0.0000000000000000, -0.0006715400000000 ] - [ -0.0005473700000000, 0.0000912500000000, -0.0011642200000000 ] - [ -0.0025236900000000, 0.0014621200000000, 0.0013724900000000 ] - [ -0.0011702800000000, 0.0000000000000000, 0.0002041200000000 ] - [ -0.0025236900000000, -0.0014621200000000, 0.0013724900000000 ] - [ -0.0003405200000000, -0.0017827700000000, 0.0010588600000000 ] - [ -0.0009391400000000, 0.0000000000000000, 0.0003618700000000 ] - [ -0.0003405200000000, 0.0017827700000000, 0.0010588600000000 ] - [ -0.0001420000000000, 0.0000000000000000, 0.0012015200000000 ] - [ 0.0000276400000000, 0.0004694600000000, 0.0008949900000000 ] - [ 0.0000276400000000, -0.0004694600000000, 0.0008949900000000 ] - [ 0.0063004000000000, 0.0000000000000000, 0.0027305000000000 ] - [ 0.0001800200000000, -0.0002638900000000, 0.0005631900000000 ] - [ 0.0001800200000000, 0.0002638900000000, 0.0005631900000000 ] - [ 0.0005613400000000, 0.0000000000000000, -0.0110241600000000 ] - [ 0.0005556300000000, 0.0004710400000000, -0.0002159600000000 ] - [ 0.0005556300000000, -0.0004710400000000, -0.0002159600000000 ] - [ 0.0003948700000000, 0.0000000000000000, 0.0035771100000000 ] - [ 0.0007309500000000, -0.0003396200000000, 0.0010446000000000 ] - [ 0.0007309500000000, 0.0003396200000000, 0.0010446000000000 ] - [ 0.0017544800000000, -0.0004790000000000, -0.0068296200000000 ] - [ -0.0002039000000000, 0.0000000000000000, -0.0006804200000000 ] - [ 0.0017544800000000, 0.0004790000000000, -0.0068296200000000 ] - [ -0.0002701800000000, 0.0000745300000000, 0.0009687200000000 ] - [ -0.0001133300000000, 0.0000000000000000, 0.0002042800000000 ] - [ -0.0002701800000000, -0.0000745300000000, 0.0009687200000000 ] - [ 0.0105177900000000, 0.0000000000000000, -0.0085909000000000 ] - [ 0.0013329700000000, -0.0004621800000000, -0.0008649100000000 ] - [ 0.0013329700000000, 0.0004621800000000, -0.0008649100000000 ] - [ -0.0003935200000000, 0.0000000000000000, 0.0023706300000000 ] - [ 0.0009110400000000, 0.0003918100000000, -0.0001486000000000 ] - [ 0.0009110400000000, -0.0003918100000000, -0.0001486000000000 ] - [ 0.0024055100000000, 0.0000000000000000, 0.0000928600000000 ] - [ -0.0008102300000000, 0.0003208600000000, 0.0000375100000000 ] - [ -0.0008102300000000, -0.0003208600000000, 0.0000375100000000 ] - [ -0.0006864500000000, 0.0000000000000000, 0.0005868300000000 ] - [ -0.0013535400000000, -0.0003622700000000, 0.0005470800000000 ] - [ -0.0013535400000000, 0.0003622700000000, 0.0005470800000000 ] - [ 0.0006966500000000, 0.0032501500000000, 0.0017981700000000 ] - [ 0.0002033500000000, 0.0000000000000000, 0.0008031100000000 ] - [ 0.0006966500000000, -0.0032501500000000, 0.0017981700000000 ] - [ -0.0006874100000000, -0.0027941400000000, 0.0012510400000000 ] - [ 0.0001667000000000, 0.0000000000000000, 0.0007662100000000 ] - [ -0.0006874100000000, 0.0027941400000000, 0.0012510400000000 ] - [ 0.0002907600000000, 0.0001759400000000, -0.0003746400000000 ] - [ 0.0006104400000000, 0.0000000000000000, 0.0000082200000000 ] - [ 0.0002907600000000, -0.0001759400000000, -0.0003746400000000 ] - [ 0.0012270300000000, -0.0006819700000000, 0.0014744600000000 ] - [ 0.0006946600000000, 0.0000000000000000, 0.0007855600000000 ] - [ 0.0012270300000000, 0.0006819700000000, 0.0014744600000000 ] - [ -0.0028345800000000, 0.0000000000000000, -0.0026930300000000 ] - [ -0.0003423400000000, -0.0002596800000000, -0.0008959600000000 ] - [ -0.0003423400000000, 0.0002596800000000, -0.0008959600000000 ] - [ 0.0001141800000000, 0.0000000000000000, 0.0006614000000000 ] - [ 0.0001308300000000, 0.0002592700000000, 0.0005389800000000 ] - [ 0.0001308300000000, -0.0002592700000000, 0.0005389800000000 ] - [ 0.0009460900000000, -0.0004836400000000, -0.0011994500000000 ] - [ 0.0010341700000000, 0.0000000000000000, -0.0006054600000000 ] - [ 0.0009460900000000, 0.0004836400000000, -0.0011994500000000 ] - [ 0.0013531900000000, 0.0002132000000000, -0.0001093400000000 ] - [ 0.0011586500000000, 0.0000000000000000, -0.0003813100000000 ] - [ 0.0013531900000000, -0.0002132000000000, -0.0001093400000000 ] - [ 0.0009981000000000, -0.0006360600000000, -0.0012291800000000 ] - [ -0.0001635700000000, 0.0000000000000000, -0.0003336100000000 ] - [ 0.0009981000000000, 0.0006360600000000, -0.0012291800000000 ] - [ -0.0038157300000000, 0.0079620400000000, -0.0006125700000000 ] - [ -0.0002141200000000, 0.0000000000000000, -0.0003424100000000 ] - [ -0.0038157300000000, -0.0079620400000000, -0.0006125700000000 ] - [ -0.0035110000000000, 0.0000000000000000, -0.0076553100000000 ] - [ -0.0002711900000000, -0.0020402700000000, -0.0003560500000000 ] - [ -0.0002711900000000, 0.0020402700000000, -0.0003560500000000 ] - [ 0.0059179600000000, 0.0000000000000000, -0.0040156100000000 ] - [ -0.0000917900000000, 0.0018346500000000, -0.0002028500000000 ] - [ -0.0000917900000000, -0.0018346500000000, -0.0002028500000000 ]- atom: 61 displacement: [ 0.0099999834948202, 0.0000000000000000, 0.0000181687457952 ] forces: - [ 0.0140485400000000, 0.0000000000000000, -0.0050101500000000 ] - [ 0.0006335100000000, -0.0010428900000000, 0.0000539200000000 ] - [ 0.0006335100000000, 0.0010428900000000, 0.0000539200000000 ] - [ 0.0004336400000000, 0.0000000000000000, 0.0018027100000000 ] - [ 0.0000213200000000, -0.0001010600000000, 0.0002814000000000 ] - [ 0.0000213200000000, 0.0001010600000000, 0.0002814000000000 ] - [ 0.0105177900000000, 0.0000000000000000, 0.0052666100000000 ] - [ -0.0000340100000000, 0.0000340300000000, -0.0003035300000000 ] - [ -0.0000340100000000, -0.0000340300000000, -0.0003035300000000 ] - [ -0.0013200800000000, 0.0000000000000000, 0.0009978100000000 ] - [ -0.0005692200000000, 0.0000831100000000, 0.0004890800000000 ] - [ -0.0005692200000000, -0.0000831100000000, 0.0004890800000000 ] - [ 0.0063958600000000, 0.0050601300000000, -0.0004456500000000 ] - [ 0.0063958600000000, -0.0050601300000000, -0.0004456500000000 ] - [ 0.0005809400000000, 0.0000000000000000, 0.0000041800000000 ] - [ 0.0001808000000000, 0.0000912200000000, 0.0002922000000000 ] - [ 0.0001808000000000, -0.0000912200000000, 0.0002922000000000 ] - [ 0.0002066800000000, 0.0000000000000000, 0.0000864500000000 ] - [ -0.0007649000000000, 0.0000000000000000, 0.0005591300000000 ] - [ -0.0001654900000000, -0.0001259700000000, 0.0002403800000000 ] - [ -0.0001654900000000, 0.0001259700000000, 0.0002403800000000 ] - [ 0.0050169600000000, 0.0000000000000000, -0.0032107500000000 ] - [ 0.0006697400000000, -0.0007798700000000, 0.0000917800000000 ] - [ 0.0006697400000000, 0.0007798700000000, 0.0000917800000000 ] - [ -0.0003849500000000, 0.0008530400000000, 0.0010270500000000 ] - [ -0.0003849500000000, -0.0008530400000000, 0.0010270500000000 ] - [ -0.0003154100000000, 0.0000000000000000, -0.0003879400000000 ] - [ 0.0016200200000000, -0.0006383500000000, -0.0005658600000000 ] - [ 0.0016200200000000, 0.0006383500000000, -0.0005658600000000 ] - [ 0.0000129000000000, 0.0000000000000000, -0.0005122600000000 ] - [ -0.0015991300000000, -0.0024598700000000, -0.0003345600000000 ] - [ -0.0015991300000000, 0.0024598700000000, -0.0003345600000000 ] - [ -0.0003416900000000, 0.0000000000000000, 0.0000212100000000 ] - [ -0.0001080300000000, -0.0000459400000000, -0.0002325700000000 ] - [ -0.0001080300000000, 0.0000459400000000, -0.0002325700000000 ] - [ -0.0000752500000000, 0.0000000000000000, -0.0000119000000000 ] - [ -0.0019307800000000, -0.0001713900000000, 0.0006956400000000 ] - [ -0.0019307800000000, 0.0001713900000000, 0.0006956400000000 ] - [ -0.0006217100000000, 0.0000000000000000, 0.0001478300000000 ] - [ -0.0005246300000000, 0.0000384400000000, -0.0010496700000000 ] - [ -0.0005246300000000, -0.0000384400000000, -0.0010496700000000 ] - [ -0.0003654000000000, 0.0000000000000000, -0.0001756100000000 ] - [ -0.0035375500000000, 0.0000000000000000, 0.0018956600000000 ] - [ -0.0004500300000000, -0.0001072000000000, -0.0001681000000000 ] - [ -0.0004500300000000, 0.0001072000000000, -0.0001681000000000 ] - [ 0.0002724000000000, 0.0000000000000000, -0.0001989200000000 ] - [ 0.0003328300000000, -0.0000044300000000, -0.0000959800000000 ] - [ 0.0003328300000000, 0.0000044300000000, -0.0000959800000000 ] - [ 0.0002113900000000, -0.0001528000000000, -0.0003527900000000 ] - [ 0.0002113900000000, 0.0001528000000000, -0.0003527900000000 ] - [ 0.0000256300000000, 0.0000000000000000, -0.0000353400000000 ] - [ -0.0016765100000000, -0.0001365600000000, 0.0003061500000000 ] - [ -0.0016765100000000, 0.0001365600000000, 0.0003061500000000 ] - [ -0.0003721600000000, 0.0000000000000000, -0.0000742100000000 ] - [ -0.0006800000000000, 0.0000000000000000, -0.0042959700000000 ] - [ -0.0003273900000000, 0.0000927600000000, -0.0007716500000000 ] - [ -0.0003273900000000, -0.0000927600000000, -0.0007716500000000 ] - [ -0.0014731100000000, 0.0000000000000000, -0.0013153300000000 ] - [ -0.0009279700000000, -0.0002533500000000, -0.0004099700000000 ] - [ -0.0009279700000000, 0.0002533500000000, -0.0004099700000000 ] - [ -0.1646610500000000, 0.0000000000000000, 0.0513662300000000 ] - [ -0.0029863600000000, 0.0002702600000000, 0.0007978400000000 ] - [ -0.0029863600000000, -0.0002702600000000, 0.0007978400000000 ] - [ 0.0002631400000000, 0.0000000000000000, -0.0020639100000000 ] - [ -0.0007799800000000, 0.0000685300000000, -0.0001060700000000 ] - [ -0.0007799800000000, -0.0000685300000000, -0.0001060700000000 ] - [ 0.0013263300000000, 0.0089355600000000, -0.0015916500000000 ] - [ 0.0013263300000000, -0.0089355600000000, -0.0015916500000000 ] - [ -0.0000307000000000, 0.0000000000000000, 0.0008541700000000 ] - [ -0.0001852400000000, -0.0008103900000000, 0.0003839600000000 ] - [ -0.0001852400000000, 0.0008103900000000, 0.0003839600000000 ] - [ 0.0001141800000000, 0.0000000000000000, 0.0006893000000000 ] - [ 0.0070772500000000, -0.0072579800000000, -0.0009590900000000 ] - [ 0.0070772500000000, 0.0072579800000000, -0.0009590900000000 ] - [ 0.0003655900000000, 0.0000000000000000, 0.0002931100000000 ] - [ 0.0001224200000000, 0.0003725900000000, -0.0000264100000000 ] - [ 0.0001224200000000, -0.0003725900000000, -0.0000264100000000 ] - [ 0.0005147300000000, 0.0000000000000000, 0.0001706200000000 ] - [ -0.0011360000000000, 0.0000000000000000, -0.0093342900000000 ] - [ -0.0005567700000000, 0.0004254400000000, -0.0008028800000000 ] - [ -0.0005567700000000, -0.0004254400000000, -0.0008028800000000 ] - [ -0.0039820600000000, 0.0000000000000000, -0.0039490200000000 ] - [ -0.0012631400000000, -0.0005852400000000, -0.0010083700000000 ] - [ -0.0012631400000000, 0.0005852400000000, -0.0010083700000000 ] - [ 0.0023695200000000, -0.0001947400000000, -0.0014306600000000 ] - [ 0.0023695200000000, 0.0001947400000000, -0.0014306600000000 ] - [ 0.0014388300000000, 0.0000000000000000, -0.0007414300000000 ] - [ 0.0016249800000000, -0.0046109500000000, 0.0038555700000000 ] - [ 0.0016249800000000, 0.0046109500000000, 0.0038555700000000 ] - [ 0.0004534000000000, 0.0000000000000000, -0.0002848600000000 ] - [ 0.0028882200000000, 0.0002734900000000, -0.0003889600000000 ] - [ 0.0028882200000000, -0.0002734900000000, -0.0003889600000000 ] - [ -0.0001632600000000, 0.0000000000000000, 0.0001393600000000 ] - [ -0.0014397600000000, 0.0000051000000000, 0.0009353400000000 ] - [ -0.0014397600000000, -0.0000051000000000, 0.0009353400000000 ] - [ -0.0012826900000000, 0.0000000000000000, 0.0004469500000000 ] - [ 0.0092061900000000, 0.0000000000000000, 0.0038269600000000 ] - [ 0.0007910400000000, 0.0019482500000000, 0.0010872500000000 ] - [ 0.0007910400000000, -0.0019482500000000, 0.0010872500000000 ] - [ 0.0004683000000000, 0.0000000000000000, 0.0009884500000000 ] - [ 0.0003059300000000, -0.0001806500000000, 0.0008439600000000 ] - [ 0.0003059300000000, 0.0001806500000000, 0.0008439600000000 ] - [ 0.0154840700000000, 0.0000000000000000, 0.0041743600000000 ] - [ 0.0010936400000000, -0.0008095700000000, 0.0011092800000000 ] - [ 0.0010936400000000, 0.0008095700000000, 0.0011092800000000 ] - [ 0.0009015900000000, 0.0000000000000000, 0.0008150600000000 ] - [ 0.0007745200000000, 0.0001541000000000, 0.0003443000000000 ] - [ 0.0007745200000000, -0.0001541000000000, 0.0003443000000000 ] - [ 0.0008875700000000, 0.0009970300000000, 0.0014332600000000 ] - [ 0.0008875700000000, -0.0009970300000000, 0.0014332600000000 ] - [ 0.0000294400000000, 0.0000000000000000, 0.0000450600000000 ] - [ 0.0012612600000000, -0.0006479500000000, 0.0004414400000000 ] - [ 0.0012612600000000, 0.0006479500000000, 0.0004414400000000 ] - [ 0.0004531400000000, 0.0000000000000000, 0.0000828800000000 ] - [ -0.0010419800000000, 0.0000000000000000, 0.0015160700000000 ] - [ 0.0005968400000000, -0.0000206600000000, -0.0002037600000000 ] - [ 0.0005968400000000, 0.0000206600000000, -0.0002037600000000 ] - [ 0.0073664800000000, 0.0000000000000000, -0.0041057100000000 ] - [ 0.0024172900000000, -0.0008638100000000, -0.0010196700000000 ] - [ 0.0024172900000000, 0.0008638100000000, -0.0010196700000000 ] - [ 0.0915109600000000, 0.0000000000000000, -0.0366424600000000 ] - [ 0.0012170300000000, 0.0061602900000000, -0.0008484200000000 ] - [ 0.0012170300000000, -0.0061602900000000, -0.0008484200000000 ] - [ 0.0029460100000000, 0.0000000000000000, 0.0025465200000000 ] - [ 0.0000845700000000, -0.0004525200000000, 0.0000138200000000 ] - [ 0.0000845700000000, 0.0004525200000000, 0.0000138200000000 ] - [ -0.0078228600000000, 0.0068968400000000, -0.0035552200000000 ] - [ -0.0078228600000000, -0.0068968400000000, -0.0035552200000000 ] - [ -0.0003468500000000, 0.0000000000000000, -0.0004242300000000 ] - [ -0.0011255100000000, 0.0000188300000000, -0.0008953900000000 ] - [ -0.0011255100000000, -0.0000188300000000, -0.0008953900000000 ] - [ -0.0002119800000000, 0.0000000000000000, -0.0002759300000000 ]- atom: 61 displacement: [ -0.0099999834948202, 0.0000000000000000, -0.0000181687457952 ] forces: - [ -0.0130672800000000, 0.0000000000000000, 0.0043938200000000 ] - [ -0.0007492400000000, 0.0010442400000000, 0.0000231400000000 ] - [ -0.0007492400000000, -0.0010442400000000, 0.0000231400000000 ] - [ -0.0005497900000000, 0.0000000000000000, -0.0017234900000000 ] - [ -0.0001406800000000, 0.0001013300000000, -0.0002054200000000 ] - [ -0.0001406800000000, -0.0001013300000000, -0.0002054200000000 ] - [ -0.0114812600000000, 0.0000000000000000, -0.0054977900000000 ] - [ -0.0008604000000000, -0.0000290400000000, 0.0003024100000000 ] - [ -0.0008604000000000, 0.0000290400000000, 0.0003024100000000 ] - [ 0.0004224600000000, 0.0000000000000000, -0.0010039500000000 ] - [ -0.0003219600000000, -0.0000832000000000, -0.0004888800000000 ] - [ -0.0003219600000000, 0.0000832000000000, -0.0004888800000000 ] - [ -0.0058079900000000, -0.0051339600000000, 0.0004439200000000 ] - [ -0.0058079900000000, 0.0051339600000000, 0.0004439200000000 ] - [ -0.0000253300000000, 0.0000000000000000, -0.0000173600000000 ] - [ 0.0003787600000000, -0.0000918800000000, -0.0003046400000000 ] - [ 0.0003787600000000, 0.0000918800000000, -0.0003046400000000 ] - [ 0.0003492800000000, 0.0000000000000000, -0.0001015300000000 ] - [ 0.0006599000000000, 0.0000000000000000, -0.0005007900000000 ] - [ 0.0000529300000000, 0.0001248000000000, -0.0001813500000000 ] - [ 0.0000529300000000, -0.0001248000000000, -0.0001813500000000 ] - [ -0.0049993900000000, 0.0000000000000000, 0.0035064300000000 ] - [ -0.0007835000000000, 0.0007853400000000, -0.0000328500000000 ] - [ -0.0007835000000000, -0.0007853400000000, -0.0000328500000000 ] - [ -0.0001929600000000, -0.0008584300000000, -0.0019967400000000 ] - [ -0.0001929600000000, 0.0008584300000000, -0.0019967400000000 ] - [ -0.0002710200000000, 0.0000000000000000, -0.0005785200000000 ] - [ -0.0022088300000000, 0.0006309700000000, -0.0003893300000000 ] - [ -0.0022088300000000, -0.0006309700000000, -0.0003893300000000 ] - [ -0.0006003300000000, 0.0000000000000000, -0.0004553900000000 ] - [ 0.0014748000000000, 0.0024792000000000, 0.0004096600000000 ] - [ 0.0014748000000000, -0.0024792000000000, 0.0004096600000000 ] - [ 0.0002230500000000, 0.0000000000000000, 0.0000521300000000 ] - [ -0.0000154100000000, 0.0000465100000000, 0.0003071300000000 ] - [ -0.0000154100000000, -0.0000465100000000, 0.0003071300000000 ] - [ -0.0000420800000000, 0.0000000000000000, 0.0000893700000000 ] - [ 0.0010431000000000, 0.0001762300000000, -0.0006939300000000 ] - [ 0.0010431000000000, -0.0001762300000000, -0.0006939300000000 ] - [ -0.0002675700000000, 0.0000000000000000, -0.0001476300000000 ] - [ -0.0003644400000000, -0.0000374600000000, 0.0010535100000000 ] - [ -0.0003644400000000, 0.0000374600000000, 0.0010535100000000 ] - [ -0.0005284500000000, 0.0000000000000000, 0.0001739800000000 ] - [ 0.0041088700000000, 0.0000000000000000, -0.0019210400000000 ] - [ 0.0010069800000000, 0.0001054200000000, 0.0001543900000000 ] - [ 0.0010069800000000, -0.0001054200000000, 0.0001543900000000 ] - [ 0.0002846800000000, 0.0000000000000000, 0.0001856400000000 ] - [ 0.0002230300000000, 0.0000039200000000, 0.0000829700000000 ] - [ 0.0002230300000000, -0.0000039200000000, 0.0000829700000000 ] - [ -0.0003272600000000, 0.0001511100000000, 0.0004089700000000 ] - [ -0.0003272600000000, -0.0001511100000000, 0.0004089700000000 ] - [ -0.0001388900000000, 0.0000000000000000, 0.0000946000000000 ] - [ 0.0015647700000000, 0.0001433200000000, -0.0002492200000000 ] - [ 0.0015647700000000, -0.0001433200000000, -0.0002492200000000 ] - [ 0.0002602800000000, 0.0000000000000000, 0.0001302700000000 ] - [ 0.0000851100000000, 0.0000000000000000, 0.0033592000000000 ] - [ -0.0002582100000000, -0.0000919700000000, -0.0001926400000000 ] - [ -0.0002582100000000, 0.0000919700000000, -0.0001926400000000 ] - [ 0.0008880900000000, 0.0000000000000000, 0.0003451200000000 ] - [ 0.0003395000000000, 0.0002514300000000, -0.0005567900000000 ] - [ 0.0003395000000000, -0.0002514300000000, -0.0005567900000000 ] - [ 0.1658281700000000, 0.0000000000000000, -0.0527804900000000 ] - [ 0.0008504300000000, -0.0002839600000000, -0.0002179700000000 ] - [ 0.0008504300000000, 0.0002839600000000, -0.0002179700000000 ] - [ -0.0024011600000000, 0.0000000000000000, 0.0026417200000000 ] - [ -0.0013578000000000, -0.0000698200000000, 0.0006863300000000 ] - [ -0.0013578000000000, 0.0000698200000000, 0.0006863300000000 ] - [ -0.0009346800000000, -0.0090418900000000, 0.0031599400000000 ] - [ -0.0009346800000000, 0.0090418900000000, 0.0031599400000000 ] - [ 0.0003916300000000, 0.0000000000000000, 0.0007101700000000 ] - [ 0.0005473100000000, 0.0008131200000000, 0.0011829500000000 ] - [ 0.0005473100000000, -0.0008131200000000, 0.0011829500000000 ] - [ 0.0002475800000000, 0.0000000000000000, 0.0008715500000000 ] - [ -0.0057420100000000, 0.0072126000000000, 0.0017832500000000 ] - [ -0.0057420100000000, -0.0072126000000000, 0.0017832500000000 ] - [ 0.0009704000000000, 0.0000000000000000, 0.0005584100000000 ] - [ 0.0012104400000000, -0.0003741600000000, 0.0008730900000000 ] - [ 0.0012104400000000, 0.0003741600000000, 0.0008730900000000 ] - [ 0.0008193800000000, 0.0000000000000000, 0.0006773800000000 ] - [ 0.0007685300000000, 0.0000000000000000, 0.0088682400000000 ] - [ 0.0002326800000000, -0.0004291600000000, 0.0002997900000000 ] - [ 0.0002326800000000, 0.0004291600000000, 0.0002997900000000 ] - [ 0.0037600900000000, 0.0000000000000000, 0.0034585600000000 ] - [ 0.0009473100000000, 0.0005860100000000, 0.0005120800000000 ] - [ 0.0009473100000000, -0.0005860100000000, 0.0005120800000000 ] - [ -0.0001490300000000, 0.0001953100000000, 0.0004072600000000 ] - [ -0.0001490300000000, -0.0001953100000000, 0.0004072600000000 ] - [ 0.0007906000000000, 0.0000000000000000, -0.0002807800000000 ] - [ 0.0005695200000000, 0.0046202500000000, -0.0048865400000000 ] - [ 0.0005695200000000, -0.0046202500000000, -0.0048865400000000 ] - [ 0.0017774600000000, 0.0000000000000000, -0.0007367500000000 ] - [ -0.0050400800000000, -0.0002846900000000, 0.0009751400000000 ] - [ -0.0050400800000000, 0.0002846900000000, 0.0009751400000000 ] - [ -0.0019806900000000, 0.0000000000000000, 0.0004486200000000 ] - [ -0.0006991700000000, -0.0000039800000000, -0.0003556200000000 ] - [ -0.0006991700000000, 0.0000039800000000, -0.0003556200000000 ] - [ -0.0008600600000000, 0.0000000000000000, 0.0001323100000000 ] - [ -0.0087653900000000, 0.0000000000000000, -0.0022250100000000 ] - [ -0.0004343900000000, -0.0019472400000000, 0.0004776000000000 ] - [ -0.0004343900000000, 0.0019472400000000, 0.0004776000000000 ] - [ -0.0001091300000000, 0.0000000000000000, 0.0005691700000000 ] - [ 0.0000519500000000, 0.0001833100000000, 0.0007156800000000 ] - [ 0.0000519500000000, -0.0001833100000000, 0.0007156800000000 ] - [ -0.0144368400000000, 0.0000000000000000, -0.0035052100000000 ] - [ 0.0002429200000000, 0.0008088300000000, -0.0002620500000000 ] - [ 0.0002429200000000, -0.0008088300000000, -0.0002620500000000 ] - [ 0.0004353900000000, 0.0000000000000000, 0.0000394000000000 ] - [ 0.0005628600000000, -0.0001544500000000, 0.0005067600000000 ] - [ 0.0005628600000000, 0.0001544500000000, 0.0005067600000000 ] - [ -0.0012123500000000, -0.0010088000000000, -0.0019506400000000 ] - [ -0.0012123500000000, 0.0010088000000000, -0.0019506400000000 ] - [ -0.0003543000000000, 0.0000000000000000, -0.0005509900000000 ] - [ -0.0015897400000000, 0.0006443300000000, -0.0009398400000000 ] - [ -0.0015897400000000, -0.0006443300000000, -0.0009398400000000 ] - [ -0.0007734000000000, 0.0000000000000000, -0.0005848000000000 ] - [ 0.0032923600000000, 0.0000000000000000, -0.0025284600000000 ] - [ 0.0016351700000000, 0.0000170400000000, -0.0008172900000000 ] - [ 0.0016351700000000, -0.0000170400000000, -0.0008172900000000 ] - [ -0.0050871100000000, 0.0000000000000000, 0.0030739100000000 ] - [ -0.0001882500000000, 0.0008692300000000, -0.0000027100000000 ] - [ -0.0001882500000000, -0.0008692300000000, -0.0000027100000000 ] - [ -0.0962690200000000, 0.0000000000000000, 0.0388342500000000 ] - [ -0.0015337200000000, -0.0061700700000000, 0.0002308200000000 ] - [ -0.0015337200000000, 0.0061700700000000, 0.0002308200000000 ] - [ -0.0032664200000000, 0.0000000000000000, -0.0032017600000000 ] - [ -0.0003956100000000, 0.0004580100000000, -0.0006361800000000 ] - [ -0.0003956100000000, -0.0004580100000000, -0.0006361800000000 ] - [ 0.0075308300000000, -0.0068589100000000, 0.0029161900000000 ] - [ 0.0075308300000000, 0.0068589100000000, 0.0029161900000000 ] - [ 0.0000389900000000, 0.0000000000000000, -0.0002022800000000 ] - [ 0.0008243800000000, -0.0000143700000000, 0.0002847300000000 ] - [ 0.0008243800000000, 0.0000143700000000, 0.0002847300000000 ] - [ -0.0000912800000000, 0.0000000000000000, -0.0003444300000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000967300000000, 0.0041661300000000, 0.0000548800000000 ] - [ -0.0003350200000000, -0.0009418600000000, 0.0004280000000000 ] - [ 0.0002121700000000, -0.0009454400000000, -0.0003545500000000 ] - [ -0.0000513800000000, 0.0001617600000000, 0.0000405400000000 ] - [ -0.0001232300000000, -0.0001402600000000, -0.0004069200000000 ] - [ 0.0000050700000000, -0.0001402800000000, 0.0004740000000000 ] - [ -0.0004333100000000, 0.0072654200000000, 0.0000194500000000 ] - [ -0.0003664800000000, -0.0007889000000000, 0.0006857500000000 ] - [ -0.0005249900000000, -0.0007835800000000, -0.0006809500000000 ] - [ -0.0004511400000000, 0.0003705700000000, -0.0000004700000000 ] - [ -0.0003079800000000, -0.0002219000000000, -0.0004761800000000 ] - [ -0.0005834900000000, -0.0002218100000000, 0.0004718800000000 ] - [ 0.0022481900000000, -0.0026417900000000, 0.0005384000000000 ] - [ -0.0016350000000000, -0.0020474500000000, -0.0004723200000000 ] - [ 0.0002761400000000, -0.0011886400000000, -0.0000086500000000 ] - [ 0.0002370300000000, 0.0001436000000000, 0.0000147200000000 ] - [ 0.0003189300000000, 0.0001451000000000, -0.0000291300000000 ] - [ 0.0002778700000000, -0.0002727500000000, -0.0000062900000000 ] - [ -0.0000547800000000, 0.0002743200000000, 0.0000301200000000 ] - [ -0.0001530400000000, -0.0001661400000000, 0.0001456500000000 ] - [ 0.0000400600000000, -0.0001676000000000, -0.0000849400000000 ] - [ -0.0000572600000000, 0.0073533600000000, 0.0000219100000000 ] - [ -0.0002393800000000, -0.0010355100000000, -0.0002044800000000 ] - [ 0.0001248000000000, -0.0010324200000000, 0.0002620200000000 ] - [ 0.0002455500000000, -0.0000344500000000, -0.0018519800000000 ] - [ -0.0008414900000000, -0.0000320300000000, 0.0008910100000000 ] - [ -0.0002944600000000, -0.0003905500000000, -0.0004788900000000 ] - [ -0.0003910000000000, 0.0001735800000000, 0.0013635600000000 ] - [ -0.0002015600000000, 0.0001826500000000, -0.0023357200000000 ] - [ -0.0002989000000000, -0.0008263800000000, -0.0004812800000000 ] - [ -0.0012762100000000, 0.0003416700000000, -0.0009123600000000 ] - [ 0.0011679300000000, 0.0003507800000000, 0.0009852700000000 ] - [ -0.0000547400000000, -0.0008106600000000, 0.0000361600000000 ] - [ -0.0000283500000000, 0.0001115900000000, 0.0002709100000000 ] - [ -0.0000860900000000, 0.0001115600000000, -0.0002028900000000 ] - [ -0.0000593500000000, -0.0002260000000000, 0.0000351000000000 ] - [ 0.0001140100000000, 0.0002075500000000, -0.0004762100000000 ] - [ -0.0009999100000000, 0.0002081600000000, 0.0004756500000000 ] - [ -0.0004465400000000, -0.0002756900000000, 0.0000000500000000 ] - [ -0.0002146100000000, 0.0002155400000000, 0.0008015400000000 ] - [ -0.0006759300000000, 0.0002172400000000, -0.0008038600000000 ] - [ -0.0004444100000000, -0.0002820000000000, 0.0000011300000000 ] - [ 0.0002758600000000, 0.0006645900000000, -0.0000033800000000 ] - [ 0.0004902200000000, -0.0003865900000000, 0.0001257700000000 ] - [ 0.0000678700000000, -0.0003864000000000, -0.0001397800000000 ] - [ 0.0002771700000000, 0.0002292300000000, -0.0000076900000000 ] - [ 0.0003185900000000, -0.0001177100000000, -0.0000082800000000 ] - [ 0.0002378500000000, -0.0001205500000000, -0.0000057200000000 ] - [ -0.0001879400000000, 0.0001217900000000, -0.0002994900000000 ] - [ 0.0000753300000000, 0.0001247000000000, 0.0003589200000000 ] - [ -0.0000534600000000, -0.0003212900000000, 0.0000317800000000 ] - [ -0.0011848900000000, 0.0005123900000000, 0.0004717300000000 ] - [ 0.0010769700000000, 0.0005150200000000, -0.0004139800000000 ] - [ -0.0000555400000000, -0.0008810500000000, 0.0000267700000000 ] - [ -0.0002993300000000, 0.0001973200000000, -0.0004861200000000 ] - [ -0.0001394500000000, -0.0001100000000000, -0.0000828300000000 ] - [ -0.0004500000000000, -0.0001098500000000, -0.0008760400000000 ] - [ -0.0002949900000000, 0.0005028800000000, -0.0004806700000000 ] - [ -0.0001200700000000, -0.0002402400000000, -0.0008015000000000 ] - [ -0.0004706100000000, -0.0002408100000000, -0.0001598200000000 ] - [ -0.0012822400000000, -0.0409321900000000, 0.0002224400000000 ] - [ -0.0013498900000000, 0.0029727900000000, 0.0004133700000000 ] - [ -0.0007913500000000, 0.0029566400000000, 0.0001710800000000 ] - [ -0.0010722800000000, -0.0002713000000000, 0.0002891100000000 ] - [ -0.0011367300000000, 0.0001736000000000, 0.0004441400000000 ] - [ -0.0009971500000000, 0.0001753400000000, 0.0001355200000000 ] - [ 0.0085086600000000, 0.0063263000000000, -0.0042293100000000 ] - [ -0.0082466500000000, 0.0064099800000000, 0.0058537900000000 ] - [ 0.0001780000000000, 0.0034931100000000, 0.0007835500000000 ] - [ 0.0001412000000000, -0.0006406600000000, 0.0009912600000000 ] - [ 0.0002191700000000, -0.0006491900000000, 0.0005727100000000 ] - [ 0.0001819800000000, 0.0011860800000000, 0.0007801300000000 ] - [ -0.0055296300000000, 0.0026339500000000, 0.0014433000000000 ] - [ 0.0068749500000000, 0.0026288800000000, -0.0006133100000000 ] - [ 0.0006675300000000, 0.0010493900000000, 0.0004217300000000 ] - [ 0.0007459700000000, -0.0003078100000000, -0.0001591800000000 ] - [ 0.0005813800000000, -0.0003039300000000, 0.0010020900000000 ] - [ 0.0006655300000000, 0.0005146400000000, 0.0004245400000000 ] - [ -0.0001645700000000, -0.0027463400000000, -0.0002400500000000 ] - [ -0.0001491400000000, 0.0005400000000000, -0.0010572800000000 ] - [ -0.0001658600000000, 0.0005418500000000, 0.0005557600000000 ] - [ -0.0001428800000000, -0.0042570800000000, -0.0002609300000000 ] - [ 0.0000626700000000, 0.0013021100000000, 0.0007140100000000 ] - [ -0.0003743800000000, 0.0012996600000000, -0.0011966800000000 ] - [ 0.0009159500000000, -0.0002076400000000, -0.0000642700000000 ] - [ 0.0013120500000000, -0.0002081700000000, -0.0009555700000000 ] - [ 0.0011141800000000, 0.0003459100000000, -0.0005112900000000 ] - [ -0.0034828100000000, 0.0030767800000000, -0.0050149400000000 ] - [ 0.0057407400000000, 0.0030843300000000, 0.0040240800000000 ] - [ 0.0011194200000000, 0.0012014600000000, -0.0005103800000000 ] - [ -0.0013510800000000, -0.0006278000000000, 0.0001140100000000 ] - [ -0.0007944200000000, -0.0006325500000000, 0.0004634000000000 ] - [ -0.0010746300000000, 0.0010362300000000, 0.0002956200000000 ] - [ -0.0010750000000000, -0.0001563100000000, 0.0000584100000000 ] - [ -0.0010668600000000, -0.0001585100000000, 0.0005292600000000 ] - [ -0.0010719500000000, 0.0003072900000000, 0.0002879900000000 ] - [ 0.0001710000000000, -0.0046654700000000, 0.0007790900000000 ] - [ 0.0006081700000000, 0.0022492200000000, 0.0008847900000000 ] - [ -0.0002468700000000, 0.0022555100000000, 0.0006746100000000 ] - [ 0.0001805800000000, -0.0011093400000000, 0.0007814400000000 ] - [ 0.0001939100000000, 0.0005283100000000, 0.0007839600000000 ] - [ 0.0001637700000000, 0.0005345200000000, 0.0007764900000000 ] - [ 0.0006822000000000, -0.0051842800000000, 0.0004167100000000 ] - [ -0.0000502500000000, 0.0012716100000000, -0.0003971700000000 ] - [ 0.0013732700000000, 0.0012709700000000, 0.0012342900000000 ] - [ 0.0006665900000000, -0.0004278900000000, 0.0004254700000000 ] - [ 0.0006362900000000, 0.0002068700000000, 0.0007314800000000 ] - [ 0.0006935400000000, 0.0002058200000000, 0.0001151400000000 ] - [ -0.0000561500000000, -0.0002913600000000, 0.0001286400000000 ] - [ -0.0002619700000000, -0.0002919200000000, -0.0006296400000000 ] - [ -0.0001634200000000, 0.0005073400000000, -0.0002520000000000 ] - [ -0.0009321500000000, -0.0005007800000000, -0.0006368100000000 ] - [ 0.0006119700000000, -0.0005012800000000, 0.0001342200000000 ] - [ -0.0001559800000000, 0.0009283100000000, -0.0002475000000000 ] - [ 0.0011197400000000, -0.0007786000000000, -0.0005089300000000 ] - [ 0.0010952300000000, 0.0002703700000000, -0.0009275400000000 ] - [ 0.0011357200000000, 0.0002786900000000, -0.0000992600000000 ] - [ 0.0011401600000000, -0.0015830100000000, -0.0005242400000000 ] - [ 0.0002429300000000, 0.0016551000000000, -0.0000487400000000 ] - [ 0.0019770700000000, 0.0016440500000000, -0.0009702500000000 ] - [ 0.0000520900000000, 0.0218472100000000, -0.0004292400000000 ] - [ 0.0004187600000000, -0.0084426400000000, -0.0006009000000000 ] - [ -0.0007209800000000, -0.0084246500000000, -0.0000265900000000 ] - [ -0.0001575700000000, 0.0011135700000000, -0.0003150500000000 ] - [ -0.0000750800000000, -0.0005570400000000, 0.0001612500000000 ] - [ -0.0002370400000000, -0.0005639300000000, -0.0007781700000000 ] - [ 0.0051865400000000, 0.0012998900000000, 0.0012483200000000 ] - [ -0.0054965100000000, 0.0013129900000000, -0.0018486600000000 ] - [ -0.0001555000000000, -0.0035338000000000, -0.0003138500000000 ] - [ 0.0000602100000000, 0.0003971900000000, -0.0002946700000000 ] - [ -0.0003641000000000, 0.0003951900000000, -0.0003239400000000 ] - [ -0.0001506300000000, -0.0008135100000000, -0.0003101800000000 ]- atom: 61 displacement: [ -0.0033530628758559, 0.0000000000000000, 0.0094210917281681 ] forces: - [ -0.0090235300000000, 0.0000000000000000, 0.0076063900000000 ] - [ -0.0004439200000000, 0.0007637600000000, 0.0003305800000000 ] - [ -0.0004439200000000, -0.0007637600000000, 0.0003305800000000 ] - [ -0.0008487700000000, 0.0000000000000000, -0.0036684600000000 ] - [ 0.0000229100000000, -0.0000992600000000, -0.0003649800000000 ] - [ 0.0000229100000000, 0.0000992600000000, -0.0003649800000000 ] - [ -0.0020639900000000, 0.0000000000000000, 0.0069486100000000 ] - [ -0.0007869700000000, 0.0005250200000000, 0.0003865800000000 ] - [ -0.0007869700000000, -0.0005250200000000, 0.0003865800000000 ] - [ 0.0020101900000000, 0.0000000000000000, -0.0015736900000000 ] - [ -0.0002841900000000, -0.0001087300000000, -0.0005676600000000 ] - [ -0.0002841900000000, 0.0001087300000000, -0.0005676600000000 ] - [ -0.0015919400000000, -0.0029020300000000, 0.0068117100000000 ] - [ -0.0015919400000000, 0.0029020300000000, 0.0068117100000000 ] - [ 0.0001054600000000, 0.0000000000000000, 0.0000589000000000 ] - [ 0.0006847200000000, -0.0000843000000000, -0.0006955400000000 ] - [ 0.0006847200000000, 0.0000843000000000, -0.0006955400000000 ] - [ 0.0003760100000000, 0.0000000000000000, -0.0001220900000000 ] - [ 0.0012053600000000, 0.0000000000000000, -0.0007870700000000 ] - [ 0.0000916400000000, 0.0001623100000000, -0.0001398500000000 ] - [ 0.0000916400000000, -0.0001623100000000, -0.0001398500000000 ] - [ -0.0022003200000000, 0.0000000000000000, 0.0105512400000000 ] - [ -0.0003133600000000, -0.0002021000000000, 0.0002218200000000 ] - [ -0.0003133600000000, 0.0002021000000000, 0.0002218200000000 ] - [ 0.0008888200000000, -0.0017510000000000, -0.0016669100000000 ] - [ 0.0008888200000000, 0.0017510000000000, -0.0016669100000000 ] - [ -0.0002052800000000, 0.0000000000000000, -0.0003982600000000 ] - [ -0.0011901600000000, 0.0023560700000000, -0.0013026800000000 ] - [ -0.0011901600000000, -0.0023560700000000, -0.0013026800000000 ] - [ -0.0004895900000000, 0.0000000000000000, -0.0005796900000000 ] - [ 0.0000907400000000, 0.0000136300000000, 0.0007220700000000 ] - [ 0.0000907400000000, -0.0000136300000000, 0.0007220700000000 ] - [ 0.0000874000000000, 0.0000000000000000, 0.0001556500000000 ] - [ -0.0002053100000000, -0.0000639000000000, -0.0003308700000000 ] - [ -0.0002053100000000, 0.0000639000000000, -0.0003308700000000 ] - [ -0.0000965000000000, 0.0000000000000000, -0.0000892200000000 ] - [ 0.0003519400000000, -0.0001091500000000, -0.0002992200000000 ] - [ 0.0003519400000000, 0.0001091500000000, -0.0002992200000000 ] - [ -0.0003400000000000, 0.0000000000000000, 0.0000562300000000 ] - [ -0.0008044100000000, 0.0001685000000000, -0.0003044300000000 ] - [ -0.0008044100000000, -0.0001685000000000, -0.0003044300000000 ] - [ -0.0004998400000000, 0.0000000000000000, -0.0000608000000000 ] - [ 0.0012720000000000, 0.0000000000000000, 0.0001469300000000 ] - [ 0.0007171600000000, 0.0001484000000000, 0.0002275700000000 ] - [ 0.0007171600000000, -0.0001484000000000, 0.0002275700000000 ] - [ -0.0001506400000000, 0.0000000000000000, -0.0005898700000000 ] - [ 0.0001493300000000, 0.0000180000000000, -0.0001095000000000 ] - [ 0.0001493300000000, -0.0000180000000000, -0.0001095000000000 ] - [ -0.0006456400000000, -0.0006251900000000, -0.0003599600000000 ] - [ -0.0006456400000000, 0.0006251900000000, -0.0003599600000000 ] - [ -0.0001791400000000, 0.0000000000000000, 0.0000656200000000 ] - [ 0.0010082100000000, 0.0000786200000000, 0.0000847200000000 ] - [ 0.0010082100000000, -0.0000786200000000, 0.0000847200000000 ] - [ 0.0001348100000000, 0.0000000000000000, 0.0000867000000000 ] - [ -0.0010613800000000, 0.0000000000000000, 0.0006691000000000 ] - [ -0.0003316000000000, 0.0001442000000000, -0.0001490400000000 ] - [ -0.0003316000000000, -0.0001442000000000, -0.0001490400000000 ] - [ -0.0000270300000000, 0.0000000000000000, -0.0005428400000000 ] - [ -0.0000033400000000, 0.0000045700000000, -0.0007365300000000 ] - [ -0.0000033400000000, -0.0000045700000000, -0.0007365300000000 ] - [ 0.1048510700000000, 0.0000000000000000, -0.1099859900000000 ] - [ 0.0000562200000000, -0.0002112800000000, -0.0007468800000000 ] - [ 0.0000562200000000, 0.0002112800000000, -0.0007468800000000 ] - [ -0.0037432500000000, 0.0000000000000000, 0.0048954500000000 ] - [ -0.0015389000000000, -0.0001697700000000, 0.0008683300000000 ] - [ -0.0015389000000000, 0.0001697700000000, 0.0008683300000000 ] - [ -0.0019780600000000, -0.0071607100000000, -0.0007368600000000 ] - [ -0.0019780600000000, 0.0071607100000000, -0.0007368600000000 ] - [ 0.0003116100000000, 0.0000000000000000, 0.0006040700000000 ] - [ 0.0003031300000000, 0.0021278200000000, 0.0019373100000000 ] - [ 0.0003031300000000, -0.0021278200000000, 0.0019373100000000 ] - [ 0.0001934800000000, 0.0000000000000000, 0.0009470100000000 ] - [ -0.0052202600000000, 0.0053860400000000, -0.0015353800000000 ] - [ -0.0052202600000000, -0.0053860400000000, -0.0015353800000000 ] - [ 0.0007183600000000, 0.0000000000000000, 0.0001237900000000 ] - [ 0.0013482700000000, -0.0007602500000000, 0.0024835500000000 ] - [ 0.0013482700000000, 0.0007602500000000, 0.0024835500000000 ] - [ 0.0007717800000000, 0.0000000000000000, 0.0008950600000000 ] - [ -0.0041353500000000, 0.0000000000000000, 0.0148088800000000 ] - [ -0.0001386200000000, -0.0006761300000000, -0.0000624500000000 ] - [ -0.0001386200000000, 0.0006761300000000, -0.0000624500000000 ] - [ -0.0050367900000000, 0.0000000000000000, 0.0121454300000000 ] - [ 0.0002208700000000, 0.0007037700000000, 0.0002615900000000 ] - [ 0.0002208700000000, -0.0007037700000000, 0.0002615900000000 ] - [ -0.0001772700000000, 0.0004830300000000, 0.0005987200000000 ] - [ -0.0001772700000000, -0.0004830300000000, 0.0005987200000000 ] - [ 0.0007886300000000, 0.0000000000000000, -0.0003680900000000 ] - [ 0.0050591900000000, -0.0027072100000000, -0.0012267300000000 ] - [ 0.0050591900000000, 0.0027072100000000, -0.0012267300000000 ] - [ 0.0015522900000000, 0.0000000000000000, -0.0007166100000000 ] - [ -0.0030424300000000, 0.0000748700000000, -0.0002001600000000 ] - [ -0.0030424300000000, -0.0000748700000000, -0.0002001600000000 ] - [ -0.0015250400000000, 0.0000000000000000, 0.0002260900000000 ] - [ -0.0003378400000000, 0.0002212400000000, 0.0006303400000000 ] - [ -0.0003378400000000, -0.0002212400000000, 0.0006303400000000 ] - [ -0.0008518300000000, 0.0000000000000000, 0.0003337700000000 ] - [ -0.0017231100000000, 0.0000000000000000, -0.0018931400000000 ] - [ 0.0001672200000000, -0.0007349000000000, 0.0000743400000000 ] - [ 0.0001672200000000, 0.0007349000000000, 0.0000743400000000 ] - [ 0.0002852500000000, 0.0000000000000000, 0.0013449800000000 ] - [ 0.0001549700000000, -0.0000291200000000, 0.0010047200000000 ] - [ 0.0001549700000000, 0.0000291200000000, 0.0010047200000000 ] - [ 0.0039008800000000, 0.0000000000000000, -0.0051682100000000 ] - [ 0.0003726400000000, 0.0003978800000000, -0.0006711400000000 ] - [ 0.0003726400000000, -0.0003978800000000, -0.0006711400000000 ] - [ 0.0004228300000000, 0.0000000000000000, 0.0014009600000000 ] - [ 0.0007845300000000, -0.0002191600000000, 0.0010502300000000 ] - [ 0.0007845300000000, 0.0002191600000000, 0.0010502300000000 ] - [ -0.0002282900000000, 0.0000210600000000, -0.0006558800000000 ] - [ -0.0002282900000000, -0.0000210600000000, -0.0006558800000000 ] - [ -0.0002442800000000, 0.0000000000000000, -0.0006147900000000 ] - [ 0.0000208100000000, 0.0002330400000000, -0.0001335900000000 ] - [ 0.0000208100000000, -0.0002330400000000, -0.0001335900000000 ] - [ -0.0004785100000000, 0.0000000000000000, -0.0002050400000000 ] - [ 0.0037396800000000, 0.0000000000000000, 0.0022903800000000 ] - [ 0.0015762700000000, -0.0003877500000000, -0.0005931400000000 ] - [ 0.0015762700000000, 0.0003877500000000, -0.0005931400000000 ] - [ -0.0043412700000000, 0.0000000000000000, 0.0008492200000000 ] - [ 0.0001996300000000, 0.0007220000000000, -0.0001427900000000 ] - [ 0.0001996300000000, -0.0007220000000000, -0.0001427900000000 ] - [ -0.0701644300000000, 0.0000000000000000, 0.0553962600000000 ] - [ -0.0011479800000000, -0.0047613300000000, 0.0005633200000000 ] - [ -0.0011479800000000, 0.0047613300000000, 0.0005633200000000 ] - [ -0.0015817000000000, 0.0000000000000000, -0.0086402900000000 ] - [ -0.0001892000000000, 0.0015251700000000, -0.0009771800000000 ] - [ -0.0001892000000000, -0.0015251700000000, -0.0009771800000000 ] - [ 0.0006217400000000, -0.0019248600000000, 0.0052917100000000 ] - [ 0.0006217400000000, 0.0019248600000000, 0.0052917100000000 ] - [ 0.0000113600000000, 0.0000000000000000, -0.0001493900000000 ] - [ -0.0001003500000000, -0.0002809900000000, -0.0018581000000000 ] - [ -0.0001003500000000, 0.0002809900000000, -0.0018581000000000 ] - [ -0.0001088200000000, 0.0000000000000000, -0.0004167200000000 ]- atom: 61 displacement: [ 0.0033530628758559, 0.0000000000000000, -0.0094210917281681 ] forces: - [ 0.0097618500000000, 0.0000000000000000, -0.0078553700000000 ] - [ 0.0003259200000000, -0.0007603800000000, -0.0002561300000000 ] - [ 0.0003259200000000, 0.0007603800000000, -0.0002561300000000 ] - [ 0.0007155300000000, 0.0000000000000000, 0.0037183100000000 ] - [ -0.0001447300000000, 0.0000972600000000, 0.0004427200000000 ] - [ -0.0001447300000000, -0.0000972600000000, 0.0004427200000000 ] - [ 0.0008245700000000, 0.0000000000000000, -0.0075763100000000 ] - [ -0.0001060900000000, -0.0005248900000000, -0.0003886700000000 ] - [ -0.0001060900000000, 0.0005248900000000, -0.0003886700000000 ] - [ -0.0028795900000000, 0.0000000000000000, 0.0015674600000000 ] - [ -0.0006074200000000, 0.0001075100000000, 0.0005698100000000 ] - [ -0.0006074200000000, -0.0001075100000000, 0.0005698100000000 ] - [ 0.0021517800000000, 0.0028393100000000, -0.0068324500000000 ] - [ 0.0021517800000000, -0.0028393100000000, -0.0068324500000000 ] - [ 0.0004511600000000, 0.0000000000000000, -0.0000699200000000 ] - [ -0.0001283600000000, 0.0000891800000000, 0.0006779700000000 ] - [ -0.0001283600000000, -0.0000891800000000, 0.0006779700000000 ] - [ 0.0001789300000000, 0.0000000000000000, 0.0001076600000000 ] - [ -0.0013162600000000, 0.0000000000000000, 0.0008394200000000 ] - [ -0.0002025000000000, -0.0001627400000000, 0.0001972900000000 ] - [ -0.0002025000000000, 0.0001627400000000, 0.0001972900000000 ] - [ 0.0023060600000000, 0.0000000000000000, -0.0100283200000000 ] - [ 0.0001997600000000, 0.0002082900000000, -0.0001646800000000 ] - [ 0.0001997600000000, -0.0002082900000000, -0.0001646800000000 ] - [ -0.0014832500000000, 0.0017578000000000, 0.0006985700000000 ] - [ -0.0014832500000000, -0.0017578000000000, 0.0006985700000000 ] - [ -0.0003818600000000, 0.0000000000000000, -0.0005696900000000 ] - [ 0.0005925200000000, -0.0023329500000000, 0.0003466100000000 ] - [ 0.0005925200000000, 0.0023329500000000, 0.0003466100000000 ] - [ -0.0000998700000000, 0.0000000000000000, -0.0003875600000000 ] - [ -0.0002106900000000, -0.0000241500000000, -0.0006474800000000 ] - [ -0.0002106900000000, 0.0000241500000000, -0.0006474800000000 ] - [ -0.0002064200000000, 0.0000000000000000, -0.0000840200000000 ] - [ 0.0000859600000000, 0.0000661900000000, 0.0004094600000000 ] - [ 0.0000859600000000, -0.0000661900000000, 0.0004094600000000 ] - [ -0.0000203200000000, 0.0000000000000000, 0.0001679300000000 ] - [ -0.0012438400000000, 0.0001085900000000, 0.0002942100000000 ] - [ -0.0012438400000000, -0.0001085900000000, 0.0002942100000000 ] - [ -0.0005496400000000, 0.0000000000000000, -0.0000579900000000 ] - [ -0.0000888500000000, -0.0001655200000000, 0.0003117800000000 ] - [ -0.0000888500000000, 0.0001655200000000, 0.0003117800000000 ] - [ -0.0003940300000000, 0.0000000000000000, 0.0000600600000000 ] - [ -0.0007124500000000, 0.0000000000000000, -0.0001493800000000 ] - [ -0.0001584500000000, -0.0001467200000000, -0.0002410100000000 ] - [ -0.0001584500000000, 0.0001467200000000, -0.0002410100000000 ] - [ 0.0007091200000000, 0.0000000000000000, 0.0005770000000000 ] - [ 0.0004064700000000, -0.0000186400000000, 0.0000976200000000 ] - [ 0.0004064700000000, 0.0000186400000000, 0.0000976200000000 ] - [ 0.0005380900000000, 0.0006262600000000, 0.0004168800000000 ] - [ 0.0005380900000000, -0.0006262600000000, 0.0004168800000000 ] - [ 0.0000675900000000, 0.0000000000000000, -0.0000079700000000 ] - [ -0.0011168900000000, -0.0000736100000000, -0.0000228400000000 ] - [ -0.0011168900000000, 0.0000736100000000, -0.0000228400000000 ] - [ -0.0002458000000000, 0.0000000000000000, -0.0000288100000000 ] - [ 0.0004751700000000, 0.0000000000000000, -0.0016493600000000 ] - [ -0.0002518500000000, -0.0001418600000000, -0.0008165900000000 ] - [ -0.0002518500000000, 0.0001418600000000, -0.0008165900000000 ] - [ -0.0005519400000000, 0.0000000000000000, -0.0004182000000000 ] - [ -0.0005842700000000, -0.0000045800000000, -0.0002280500000000 ] - [ -0.0005842700000000, 0.0000045800000000, -0.0002280500000000 ] - [ -0.1044459400000000, 0.0000000000000000, 0.1096445300000000 ] - [ -0.0021904700000000, 0.0002001400000000, 0.0013309000000000 ] - [ -0.0021904700000000, -0.0002001400000000, 0.0013309000000000 ] - [ 0.0015993200000000, 0.0000000000000000, -0.0043095400000000 ] - [ -0.0005972200000000, 0.0001713700000000, -0.0002891600000000 ] - [ -0.0005972200000000, -0.0001713700000000, -0.0002891600000000 ] - [ 0.0023441300000000, 0.0070722700000000, 0.0022559600000000 ] - [ 0.0023441300000000, -0.0070722700000000, 0.0022559600000000 ] - [ 0.0000489600000000, 0.0000000000000000, 0.0009603700000000 ] - [ 0.0000556100000000, -0.0021430000000000, -0.0003745100000000 ] - [ 0.0000556100000000, 0.0021430000000000, -0.0003745100000000 ] - [ 0.0001674900000000, 0.0000000000000000, 0.0006137200000000 ] - [ 0.0065507900000000, -0.0053895900000000, 0.0024049500000000 ] - [ 0.0065507900000000, 0.0053895900000000, 0.0024049500000000 ] - [ 0.0006183600000000, 0.0000000000000000, 0.0007298200000000 ] - [ -0.0000052200000000, 0.0007472700000000, -0.0016250600000000 ] - [ -0.0000052200000000, -0.0007472700000000, -0.0016250600000000 ] - [ 0.0005634800000000, 0.0000000000000000, -0.0000474600000000 ] - [ 0.0038613200000000, 0.0000000000000000, -0.0154077200000000 ] - [ -0.0001814300000000, 0.0006755800000000, -0.0004373500000000 ] - [ -0.0001814300000000, -0.0006755800000000, -0.0004373500000000 ] - [ 0.0046666300000000, 0.0000000000000000, -0.0123227900000000 ] - [ -0.0005375500000000, -0.0007039000000000, -0.0007627700000000 ] - [ -0.0005375500000000, 0.0007039000000000, -0.0007627700000000 ] - [ 0.0024035300000000, -0.0004846200000000, -0.0016150700000000 ] - [ 0.0024035300000000, 0.0004846200000000, -0.0016150700000000 ] - [ 0.0014410500000000, 0.0000000000000000, -0.0006529800000000 ] - [ -0.0028306500000000, 0.0027262200000000, 0.0001634400000000 ] - [ -0.0028306500000000, -0.0027262200000000, 0.0001634400000000 ] - [ 0.0006812800000000, 0.0000000000000000, -0.0003072200000000 ] - [ 0.0008985600000000, -0.0000693600000000, 0.0007777600000000 ] - [ 0.0008985600000000, 0.0000693600000000, 0.0007777600000000 ] - [ -0.0006227100000000, 0.0000000000000000, 0.0003632300000000 ] - [ -0.0018017300000000, -0.0002222600000000, -0.0000491800000000 ] - [ -0.0018017300000000, 0.0002222600000000, -0.0000491800000000 ] - [ -0.0012910400000000, 0.0000000000000000, 0.0002438300000000 ] - [ 0.0020321700000000, 0.0000000000000000, 0.0034454200000000 ] - [ 0.0001909500000000, 0.0007293100000000, 0.0014883300000000 ] - [ 0.0001909500000000, -0.0007293100000000, 0.0014883300000000 ] - [ 0.0000768000000000, 0.0000000000000000, 0.0002217300000000 ] - [ 0.0002039700000000, 0.0000320100000000, 0.0005575300000000 ] - [ 0.0002039700000000, -0.0000320100000000, 0.0005575300000000 ] - [ -0.0024868100000000, 0.0000000000000000, 0.0059586000000000 ] - [ 0.0009591100000000, -0.0004001900000000, 0.0015173400000000 ] - [ 0.0009591100000000, 0.0004001900000000, 0.0015173400000000 ] - [ 0.0009052400000000, 0.0000000000000000, -0.0005552000000000 ] - [ 0.0005502200000000, 0.0002207200000000, -0.0002041700000000 ] - [ 0.0005502200000000, -0.0002207200000000, -0.0002041700000000 ] - [ -0.0000932900000000, -0.0000213200000000, 0.0001612700000000 ] - [ -0.0000932900000000, 0.0000213200000000, 0.0001612700000000 ] - [ -0.0000819700000000, 0.0000000000000000, 0.0001087300000000 ] - [ -0.0003523900000000, -0.0002312400000000, -0.0003765900000000 ] - [ -0.0003523900000000, 0.0002312400000000, -0.0003765900000000 ] - [ 0.0001562700000000, 0.0000000000000000, -0.0003002400000000 ] - [ -0.0015169600000000, 0.0000000000000000, -0.0033194200000000 ] - [ 0.0006513400000000, 0.0003868500000000, -0.0004277800000000 ] - [ 0.0006513400000000, -0.0003868500000000, -0.0004277800000000 ] - [ 0.0065977100000000, 0.0000000000000000, -0.0019071700000000 ] - [ 0.0020276200000000, -0.0007180400000000, -0.0008810200000000 ] - [ 0.0020276200000000, 0.0007180400000000, -0.0008810200000000 ] - [ 0.0664685700000000, 0.0000000000000000, -0.0545817900000000 ] - [ 0.0008318100000000, 0.0047556100000000, -0.0011870600000000 ] - [ 0.0008318100000000, -0.0047556100000000, -0.0011870600000000 ] - [ 0.0012819000000000, 0.0000000000000000, 0.0080135400000000 ] - [ -0.0001218900000000, -0.0015329700000000, 0.0003555900000000 ] - [ -0.0001218900000000, 0.0015329700000000, 0.0003555900000000 ] - [ -0.0008888300000000, 0.0018898700000000, -0.0059063700000000 ] - [ -0.0008888300000000, -0.0018898700000000, -0.0059063700000000 ] - [ -0.0003175100000000, 0.0000000000000000, -0.0004776000000000 ] - [ -0.0002108700000000, 0.0002869400000000, 0.0012251500000000 ] - [ -0.0002108700000000, -0.0002869400000000, 0.0012251500000000 ] - [ -0.0001942600000000, 0.0000000000000000, -0.0002035800000000 ]- atom: 67 displacement: [ 0.0099999834948202, 0.0000000000000000, 0.0000181687457952 ] forces: - [ -0.0011614700000000, -0.0000085500000000, 0.0005621100000000 ] - [ -0.0000616200000000, 0.0000000000000000, 0.0000498000000000 ] - [ -0.0011614700000000, 0.0000085500000000, 0.0005621100000000 ] - [ -0.0001700900000000, -0.0000408300000000, -0.0005513900000000 ] - [ -0.0000347000000000, 0.0000000000000000, 0.0000216800000000 ] - [ -0.0001700900000000, 0.0000408300000000, -0.0005513900000000 ] - [ 0.0005886500000000, -0.0004453900000000, 0.0009959900000000 ] - [ -0.0003703000000000, 0.0000000000000000, 0.0000379800000000 ] - [ 0.0005886500000000, 0.0004453900000000, 0.0009959900000000 ] - [ 0.0005862100000000, 0.0004445900000000, 0.0009967900000000 ] - [ -0.0003712900000000, 0.0000000000000000, 0.0000386200000000 ] - [ 0.0005862100000000, -0.0004445900000000, 0.0009967900000000 ] - [ -0.0060697900000000, 0.0000000000000000, 0.0043312900000000 ] - [ 0.0002625900000000, -0.0010001400000000, -0.0001933200000000 ] - [ 0.0002625900000000, 0.0010001400000000, -0.0001933200000000 ] - [ 0.0004321800000000, 0.0000000000000000, -0.0000363600000000 ] - [ 0.0003271700000000, -0.0000366700000000, -0.0000511800000000 ] - [ 0.0003271700000000, 0.0000366700000000, -0.0000511800000000 ] - [ -0.0001573000000000, -0.0000051000000000, 0.0000382300000000 ] - [ -0.0000711000000000, 0.0000000000000000, 0.0000422300000000 ] - [ -0.0001573000000000, 0.0000051000000000, 0.0000382300000000 ] - [ -0.0011884700000000, -0.0011974900000000, -0.0006476900000000 ] - [ -0.0000533600000000, 0.0000000000000000, 0.0000221800000000 ] - [ -0.0011884700000000, 0.0011974900000000, -0.0006476900000000 ] - [ -0.0004797000000000, 0.0000000000000000, -0.0002021700000000 ] - [ -0.0003688700000000, -0.0001060800000000, -0.0003475500000000 ] - [ -0.0003688700000000, 0.0001060800000000, -0.0003475500000000 ] - [ -0.0005376200000000, 0.0000000000000000, -0.0070445800000000 ] - [ -0.0003205200000000, -0.0004685900000000, -0.0004913600000000 ] - [ -0.0003205200000000, 0.0004685900000000, -0.0004913600000000 ] - [ -0.0003547700000000, 0.0000000000000000, -0.0065625000000000 ] - [ -0.0000856000000000, 0.0004717900000000, 0.0000288800000000 ] - [ -0.0000856000000000, -0.0004717900000000, 0.0000288800000000 ] - [ -0.0002480000000000, 0.0000000000000000, 0.0003110800000000 ] - [ -0.0001365800000000, 0.0001058700000000, 0.0001729200000000 ] - [ -0.0001365800000000, -0.0001058700000000, 0.0001729200000000 ] - [ -0.0010351300000000, 0.0000000000000000, -0.0006186600000000 ] - [ -0.0006266500000000, 0.0000580000000000, -0.0000422500000000 ] - [ -0.0006266500000000, -0.0000580000000000, -0.0000422500000000 ] - [ -0.0010307800000000, 0.0000000000000000, -0.0006239200000000 ] - [ -0.0006262800000000, -0.0000581400000000, -0.0000430200000000 ] - [ -0.0006262800000000, 0.0000581400000000, -0.0000430200000000 ] - [ -0.0008559900000000, 0.0011888400000000, -0.0006800900000000 ] - [ 0.0002802300000000, 0.0000000000000000, -0.0000140800000000 ] - [ -0.0008559900000000, -0.0011888400000000, -0.0006800900000000 ] - [ 0.0001773000000000, 0.0000044700000000, 0.0000009500000000 ] - [ 0.0002651800000000, 0.0000000000000000, 0.0000058500000000 ] - [ 0.0001773000000000, -0.0000044700000000, 0.0000009500000000 ] - [ 0.0000974600000000, 0.0000000000000000, -0.0000012900000000 ] - [ -0.0000063600000000, 0.0000369600000000, -0.0000150800000000 ] - [ -0.0000063600000000, -0.0000369600000000, -0.0000150800000000 ] - [ -0.0066771500000000, 0.0000000000000000, 0.0044495200000000 ] - [ -0.0000737300000000, 0.0010018400000000, -0.0001574200000000 ] - [ -0.0000737300000000, -0.0010018400000000, -0.0001574200000000 ] - [ -0.0004036100000000, 0.0000410400000000, -0.0010749300000000 ] - [ -0.0002685200000000, 0.0000000000000000, -0.0004997300000000 ] - [ -0.0004036100000000, -0.0000410400000000, -0.0010749300000000 ] - [ -0.0013982700000000, 0.0000017800000000, 0.0000416300000000 ] - [ -0.0002962200000000, 0.0000000000000000, -0.0004704600000000 ] - [ -0.0013982700000000, -0.0000017800000000, 0.0000416300000000 ] - [ 0.0000740800000000, 0.0083935400000000, -0.0016193000000000 ] - [ -0.0012843300000000, 0.0000000000000000, 0.0003558800000000 ] - [ 0.0000740800000000, -0.0083935400000000, -0.0016193000000000 ] - [ -0.0014350000000000, -0.0000389600000000, 0.0002912400000000 ] - [ -0.0011349700000000, 0.0000000000000000, 0.0002795800000000 ] - [ -0.0014350000000000, 0.0000389600000000, 0.0002912400000000 ] - [ -0.0205563500000000, 0.0000000000000000, -0.0000187500000000 ] - [ -0.0005650500000000, -0.0000228400000000, 0.0008837100000000 ] - [ -0.0005650500000000, 0.0000228400000000, 0.0008837100000000 ] - [ 0.0000402600000000, 0.0000000000000000, 0.0005308700000000 ] - [ 0.0000919100000000, 0.0000012500000000, 0.0006610600000000 ] - [ 0.0000919100000000, -0.0000012500000000, 0.0006610600000000 ] - [ 0.0041175600000000, 0.0000000000000000, -0.0001000100000000 ] - [ 0.0014015600000000, 0.0004187600000000, 0.0004494100000000 ] - [ 0.0014015600000000, -0.0004187600000000, 0.0004494100000000 ] - [ 0.0009787500000000, 0.0000000000000000, 0.0016953700000000 ] - [ 0.0008527700000000, 0.0001868400000000, 0.0007939100000000 ] - [ 0.0008527700000000, -0.0001868400000000, 0.0007939100000000 ] - [ -0.0000857100000000, 0.0000271500000000, -0.0009979900000000 ] - [ -0.0001966400000000, 0.0000000000000000, -0.0003726000000000 ] - [ -0.0000857100000000, -0.0000271500000000, -0.0009979900000000 ] - [ -0.0022895400000000, 0.0042565700000000, 0.0020753000000000 ] - [ -0.0002982700000000, 0.0000000000000000, -0.0003110000000000 ] - [ -0.0022895400000000, -0.0042565700000000, 0.0020753000000000 ] - [ 0.0014068600000000, 0.0000000000000000, -0.0002997700000000 ] - [ 0.0012423100000000, 0.0000148700000000, -0.0004917900000000 ] - [ 0.0012423100000000, -0.0000148700000000, -0.0004917900000000 ] - [ 0.0101199200000000, 0.0000000000000000, 0.0007002600000000 ] - [ 0.0017281000000000, 0.0004279100000000, -0.0003067900000000 ] - [ 0.0017281000000000, -0.0004279100000000, -0.0003067900000000 ] - [ 0.0078751700000000, 0.0000000000000000, 0.0014836400000000 ] - [ -0.0004559900000000, -0.0004277600000000, 0.0004949500000000 ] - [ -0.0004559900000000, 0.0004277600000000, 0.0004949500000000 ] - [ -0.0007811400000000, 0.0000000000000000, 0.0005079700000000 ] - [ -0.0009437100000000, -0.0000153000000000, 0.0003095300000000 ] - [ -0.0009437100000000, 0.0000153000000000, 0.0003095300000000 ] - [ 0.0016923000000000, 0.0000095300000000, 0.0006339500000000 ] - [ 0.0004245200000000, 0.0000000000000000, 0.0008514000000000 ] - [ 0.0016923000000000, -0.0000095300000000, 0.0006339500000000 ] - [ 0.0003237300000000, 0.0000009600000000, 0.0010251000000000 ] - [ 0.0002571700000000, 0.0000000000000000, 0.0008870300000000 ] - [ 0.0003237300000000, -0.0000009600000000, 0.0010251000000000 ] - [ -0.0014560600000000, -0.0042769700000000, 0.0027294700000000 ] - [ 0.0005309300000000, 0.0000000000000000, 0.0003642300000000 ] - [ -0.0014560600000000, 0.0042769700000000, 0.0027294700000000 ] - [ 0.0007455100000000, -0.0000244900000000, -0.0003178300000000 ] - [ 0.0006326600000000, 0.0000000000000000, 0.0003034400000000 ] - [ 0.0007455100000000, 0.0000244900000000, -0.0003178300000000 ] - [ 0.0001555300000000, 0.0000000000000000, 0.0010218400000000 ] - [ 0.0000244500000000, -0.0001868700000000, 0.0001195900000000 ] - [ 0.0000244500000000, 0.0001868700000000, 0.0001195900000000 ] - [ 0.0032841000000000, 0.0000000000000000, -0.0007597900000000 ] - [ 0.0005743500000000, -0.0004157600000000, -0.0002248700000000 ] - [ 0.0005743500000000, 0.0004157600000000, -0.0002248700000000 ] - [ 0.0007460600000000, 0.0000368300000000, -0.0005079000000000 ] - [ 0.0010484000000000, 0.0000000000000000, -0.0005203900000000 ] - [ 0.0007460600000000, -0.0000368300000000, -0.0005079000000000 ] - [ 0.0022230200000000, -0.0083245400000000, -0.0023950500000000 ] - [ 0.0009064500000000, 0.0000000000000000, -0.0004488200000000 ] - [ 0.0022230200000000, 0.0083245400000000, -0.0023950500000000 ] - [ 0.0122381900000000, -0.0002211800000000, -0.0012198100000000 ] - [ 0.0001991600000000, 0.0000000000000000, -0.0003463500000000 ] - [ 0.0122381900000000, 0.0002211800000000, -0.0012198100000000 ] - [ 0.0005474700000000, -0.0000007000000000, 0.0005067700000000 ] - [ -0.0000545500000000, 0.0000000000000000, -0.0001706800000000 ] - [ 0.0005474700000000, 0.0000007000000000, 0.0005067700000000 ] - [ -0.0092313000000000, 0.0000000000000000, 0.0027023700000000 ] - [ -0.0015212200000000, -0.0000067700000000, -0.0007645000000000 ] - [ -0.0015212200000000, 0.0000067700000000, -0.0007645000000000 ] - [ -0.0009176800000000, 0.0000000000000000, -0.0015375400000000 ] - [ -0.0004342700000000, -0.0000000400000000, -0.0006876800000000 ] - [ -0.0004342700000000, 0.0000000400000000, -0.0006876800000000 ]- atom: 67 displacement: [ -0.0099999834948202, 0.0000000000000000, -0.0000181687457952 ] forces: - [ 0.0010471500000000, 0.0000016700000000, -0.0004864600000000 ] - [ -0.0000576600000000, 0.0000000000000000, 0.0000245200000000 ] - [ 0.0010471500000000, -0.0000016700000000, -0.0004864600000000 ] - [ 0.0000507300000000, 0.0000400300000000, 0.0006297100000000 ] - [ -0.0000842700000000, 0.0000000000000000, 0.0000549400000000 ] - [ 0.0000507300000000, -0.0000400300000000, 0.0006297100000000 ] - [ -0.0014761300000000, 0.0004478100000000, -0.0009995000000000 ] - [ -0.0005202200000000, 0.0000000000000000, -0.0000394400000000 ] - [ -0.0014761300000000, -0.0004478100000000, -0.0009995000000000 ] - [ -0.0014814700000000, -0.0004424500000000, -0.0009927500000000 ] - [ -0.0005212100000000, 0.0000000000000000, -0.0000380700000000 ] - [ -0.0014814700000000, 0.0004424500000000, -0.0009927500000000 ] - [ 0.0068880200000000, 0.0000000000000000, -0.0044104300000000 ] - [ 0.0002968600000000, 0.0010029600000000, 0.0001792400000000 ] - [ 0.0002968600000000, -0.0010029600000000, 0.0001792400000000 ] - [ 0.0001248600000000, 0.0000000000000000, 0.0000235300000000 ] - [ 0.0002291700000000, 0.0000363600000000, 0.0000379000000000 ] - [ 0.0002291700000000, -0.0000363600000000, 0.0000379000000000 ] - [ 0.0000455000000000, 0.0000041000000000, 0.0000209700000000 ] - [ -0.0000419900000000, 0.0000000000000000, 0.0000160600000000 ] - [ 0.0000455000000000, -0.0000041000000000, 0.0000209700000000 ] - [ 0.0010777800000000, 0.0011869400000000, 0.0007028700000000 ] - [ -0.0000579800000000, 0.0000000000000000, 0.0000362500000000 ] - [ 0.0010777800000000, -0.0011869400000000, 0.0007028700000000 ] - [ -0.0001044300000000, 0.0000000000000000, -0.0007554600000000 ] - [ -0.0002162200000000, 0.0001058200000000, -0.0006174200000000 ] - [ -0.0002162200000000, -0.0001058200000000, -0.0006174200000000 ] - [ 0.0000326000000000, 0.0000000000000000, 0.0061300100000000 ] - [ -0.0002658400000000, 0.0004715800000000, -0.0004733100000000 ] - [ -0.0002658400000000, -0.0004715800000000, -0.0004733100000000 ] - [ 0.0001512900000000, 0.0000000000000000, 0.0065870000000000 ] - [ -0.0000333400000000, -0.0004688900000000, 0.0000454700000000 ] - [ -0.0000333400000000, 0.0004688900000000, 0.0000454700000000 ] - [ 0.0001246700000000, 0.0000000000000000, -0.0002431000000000 ] - [ 0.0000160500000000, -0.0001060200000000, -0.0000974400000000 ] - [ 0.0000160500000000, 0.0001060200000000, -0.0000974400000000 ] - [ 0.0001393600000000, 0.0000000000000000, 0.0006247800000000 ] - [ -0.0002655900000000, -0.0000583400000000, 0.0000425600000000 ] - [ -0.0002655900000000, 0.0000583400000000, 0.0000425600000000 ] - [ 0.0001427800000000, 0.0000000000000000, 0.0006177500000000 ] - [ -0.0002649700000000, 0.0000578000000000, 0.0000417400000000 ] - [ -0.0002649700000000, -0.0000578000000000, 0.0000417400000000 ] - [ 0.0014094900000000, -0.0011997200000000, 0.0006689600000000 ] - [ 0.0002754700000000, 0.0000000000000000, 0.0000003700000000 ] - [ 0.0014094900000000, 0.0011997200000000, 0.0006689600000000 ] - [ 0.0003787600000000, -0.0000049300000000, -0.0000161400000000 ] - [ 0.0002929800000000, 0.0000000000000000, -0.0000204400000000 ] - [ 0.0003787600000000, 0.0000049300000000, -0.0000161400000000 ] - [ -0.0002114600000000, 0.0000000000000000, 0.0000563400000000 ] - [ -0.0001042900000000, -0.0000353600000000, 0.0000732700000000 ] - [ -0.0001042900000000, 0.0000353600000000, 0.0000732700000000 ] - [ 0.0063049700000000, 0.0000000000000000, -0.0043288100000000 ] - [ -0.0000402500000000, -0.0009993200000000, 0.0002157300000000 ] - [ -0.0000402500000000, 0.0009993200000000, 0.0002157300000000 ] - [ -0.0001844000000000, -0.0000407900000000, 0.0001067600000000 ] - [ -0.0003190300000000, 0.0000000000000000, -0.0004672800000000 ] - [ -0.0001844000000000, 0.0000407900000000, 0.0001067600000000 ] - [ 0.0008072600000000, -0.0000081700000000, -0.0010079400000000 ] - [ -0.0002922200000000, 0.0000000000000000, -0.0004950800000000 ] - [ 0.0008072600000000, 0.0000081700000000, -0.0010079400000000 ] - [ -0.0021875500000000, -0.0083406300000000, 0.0021704000000000 ] - [ -0.0008635800000000, 0.0000000000000000, 0.0002291400000000 ] - [ -0.0021875500000000, 0.0083406300000000, 0.0021704000000000 ] - [ -0.0007024000000000, 0.0000391100000000, 0.0002867500000000 ] - [ -0.0010034700000000, 0.0000000000000000, 0.0002993600000000 ] - [ -0.0007024000000000, -0.0000391100000000, 0.0002867500000000 ] - [ 0.0209005500000000, 0.0000000000000000, 0.0015978500000000 ] - [ 0.0009265200000000, -0.0000275700000000, 0.0006782300000000 ] - [ 0.0009265200000000, 0.0000275700000000, 0.0006782300000000 ] - [ 0.0003180900000000, 0.0000000000000000, 0.0010318900000000 ] - [ 0.0002695200000000, 0.0000011700000000, 0.0008996200000000 ] - [ 0.0002695200000000, -0.0000011700000000, 0.0008996200000000 ] - [ -0.0027848000000000, 0.0000000000000000, 0.0009295600000000 ] - [ -0.0000690700000000, -0.0004157900000000, 0.0003985700000000 ] - [ -0.0000690700000000, 0.0004157900000000, 0.0003985700000000 ] - [ 0.0003528200000000, 0.0000000000000000, -0.0008478900000000 ] - [ 0.0004803200000000, -0.0001868800000000, 0.0000532200000000 ] - [ 0.0004803200000000, 0.0001868800000000, 0.0000532200000000 ] - [ -0.0002389500000000, -0.0000248600000000, 0.0004905500000000 ] - [ -0.0001255900000000, 0.0000000000000000, -0.0001317200000000 ] - [ -0.0002389500000000, 0.0000248600000000, 0.0004905500000000 ] - [ 0.0019635500000000, -0.0042623800000000, -0.0025455300000000 ] - [ -0.0000248100000000, 0.0000000000000000, -0.0001905000000000 ] - [ 0.0019635500000000, 0.0042623800000000, -0.0025455300000000 ] - [ 0.0008258600000000, 0.0000000000000000, -0.0007270000000000 ] - [ 0.0009869900000000, -0.0000144600000000, -0.0005312300000000 ] - [ 0.0009869900000000, 0.0000144600000000, -0.0005312300000000 ] - [ -0.0078055800000000, 0.0000000000000000, -0.0017061800000000 ] - [ 0.0004987500000000, -0.0004285400000000, -0.0007153900000000 ] - [ 0.0004987500000000, 0.0004285400000000, -0.0007153900000000 ] - [ -0.0101026800000000, 0.0000000000000000, -0.0009187200000000 ] - [ -0.0016830600000000, 0.0004281000000000, 0.0000865000000000 ] - [ -0.0016830600000000, -0.0004281000000000, 0.0000865000000000 ] - [ -0.0013583500000000, 0.0000000000000000, 0.0000802100000000 ] - [ -0.0011984300000000, 0.0000129100000000, 0.0002699100000000 ] - [ -0.0011984300000000, -0.0000129100000000, 0.0002699100000000 ] - [ -0.0013320100000000, 0.0000162700000000, 0.0009281500000000 ] - [ -0.0000629400000000, 0.0000000000000000, 0.0007115400000000 ] - [ -0.0013320100000000, -0.0000162700000000, 0.0009281500000000 ] - [ 0.0000370500000000, 0.0000023100000000, 0.0005359400000000 ] - [ 0.0001016500000000, 0.0000000000000000, 0.0006755400000000 ] - [ 0.0000370500000000, -0.0000023100000000, 0.0005359400000000 ] - [ 0.0027958100000000, 0.0042717200000000, -0.0019117100000000 ] - [ 0.0008040200000000, 0.0000000000000000, 0.0004850600000000 ] - [ 0.0027958100000000, -0.0042717200000000, -0.0019117100000000 ] - [ 0.0005913900000000, 0.0000270900000000, 0.0011701800000000 ] - [ 0.0007041600000000, 0.0000000000000000, 0.0005439700000000 ] - [ 0.0005913900000000, -0.0000270900000000, 0.0011701800000000 ] - [ -0.0004716000000000, 0.0000000000000000, -0.0015265200000000 ] - [ -0.0003472100000000, 0.0001872900000000, -0.0006199100000000 ] - [ -0.0003472100000000, -0.0001872900000000, -0.0006199100000000 ] - [ -0.0036043200000000, 0.0000000000000000, 0.0002755700000000 ] - [ -0.0008939100000000, 0.0004187200000000, -0.0002741900000000 ] - [ -0.0008939100000000, -0.0004187200000000, -0.0002741900000000 ] - [ 0.0014808200000000, -0.0000420200000000, -0.0005126200000000 ] - [ 0.0011806900000000, 0.0000000000000000, -0.0004996100000000 ] - [ 0.0014808200000000, 0.0000420200000000, -0.0005126200000000 ] - [ -0.0000210000000000, 0.0083771700000000, 0.0014033900000000 ] - [ 0.0013286400000000, 0.0000000000000000, -0.0005769300000000 ] - [ -0.0000210000000000, -0.0083771700000000, 0.0014033900000000 ] - [ -0.0125467100000000, -0.0002460700000000, 0.0005973100000000 ] - [ -0.0005060300000000, 0.0000000000000000, -0.0002772500000000 ] - [ -0.0125467100000000, 0.0002460700000000, 0.0005973100000000 ] - [ -0.0008543700000000, -0.0000004600000000, -0.0011275800000000 ] - [ -0.0002549000000000, 0.0000000000000000, -0.0004486100000000 ] - [ -0.0008543700000000, 0.0000004600000000, -0.0011275800000000 ] - [ 0.0089255700000000, 0.0000000000000000, -0.0033220800000000 ] - [ 0.0012145000000000, -0.0000088400000000, 0.0001404500000000 ] - [ 0.0012145000000000, 0.0000088400000000, 0.0001404500000000 ] - [ 0.0006070800000000, 0.0000000000000000, 0.0009180600000000 ] - [ 0.0001297200000000, -0.0000001900000000, 0.0000656700000000 ] - [ 0.0001297200000000, 0.0000001900000000, 0.0000656700000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0033401100000000, 0.0010091300000000, 0.0018307100000000 ] - [ -0.0000555600000000, -0.0011606500000000, 0.0000302400000000 ] - [ 0.0032253600000000, 0.0010011300000000, -0.0017718700000000 ] - [ -0.0011302900000000, 0.0009229200000000, -0.0037970400000000 ] - [ -0.0000572900000000, -0.0009292900000000, 0.0000295800000000 ] - [ 0.0010221200000000, 0.0009249500000000, 0.0038517400000000 ] - [ -0.0014830900000000, 0.0004441600000000, 0.0035960900000000 ] - [ -0.0004458800000000, -0.0010053300000000, 0.0000006300000000 ] - [ 0.0005936600000000, 0.0004269500000000, -0.0036019000000000 ] - [ 0.0005901300000000, 0.0004462400000000, -0.0035930200000000 ] - [ -0.0004455600000000, -0.0010049800000000, -0.0000018800000000 ] - [ -0.0014851900000000, 0.0004290400000000, 0.0035953300000000 ] - [ 0.0003385800000000, 0.0087480400000000, -0.0000289300000000 ] - [ -0.0006114500000000, -0.0033575400000000, -0.0001490000000000 ] - [ 0.0011644000000000, -0.0033551200000000, 0.0001306900000000 ] - [ 0.0002792000000000, 0.0013460800000000, -0.0000073000000000 ] - [ 0.0003664900000000, -0.0006898900000000, -0.0004028400000000 ] - [ 0.0001888100000000, -0.0006898400000000, 0.0003853900000000 ] - [ -0.0004012900000000, 0.0003709700000000, -0.0000522500000000 ] - [ -0.0000559900000000, -0.0007548900000000, 0.0000304200000000 ] - [ 0.0002863500000000, 0.0003699500000000, 0.0001154800000000 ] - [ -0.0034719200000000, 0.0006495000000000, -0.0009776100000000 ] - [ -0.0000560600000000, -0.0014400700000000, 0.0000315600000000 ] - [ 0.0033583000000000, 0.0006356200000000, 0.0010420900000000 ] - [ -0.0003031300000000, 0.0012436900000000, -0.0004811300000000 ] - [ -0.0004096200000000, -0.0006375300000000, -0.0000149800000000 ] - [ -0.0001888500000000, -0.0006361200000000, -0.0009341000000000 ] - [ -0.0002559600000000, 0.0081125500000000, -0.0004237500000000 ] - [ -0.0012070000000000, -0.0033388400000000, -0.0010853700000000 ] - [ 0.0006037400000000, -0.0033351200000000, 0.0001274100000000 ] - [ -0.0000935200000000, 0.0081445300000000, -0.0000260300000000 ] - [ 0.0008527600000000, -0.0033438400000000, 0.0006377900000000 ] - [ -0.0009561500000000, -0.0033385500000000, -0.0005725500000000 ] - [ -0.0000508500000000, 0.0012425300000000, 0.0000322500000000 ] - [ 0.0000543000000000, -0.0006386300000000, -0.0004299800000000 ] - [ -0.0001645500000000, -0.0006349600000000, 0.0004914500000000 ] - [ -0.0004414900000000, 0.0008740400000000, -0.0000042400000000 ] - [ -0.0002797100000000, -0.0004527600000000, 0.0004035500000000 ] - [ -0.0006108200000000, -0.0004520500000000, -0.0004023800000000 ] - [ -0.0004482700000000, 0.0008713800000000, 0.0000014200000000 ] - [ -0.0006094600000000, -0.0004511600000000, -0.0004028600000000 ] - [ -0.0002798600000000, -0.0004505900000000, 0.0004055900000000 ] - [ 0.0036978000000000, 0.0006489400000000, 0.0009958500000000 ] - [ 0.0002774900000000, -0.0014392100000000, -0.0000100700000000 ] - [ -0.0031384700000000, 0.0006326400000000, -0.0010141100000000 ] - [ 0.0006245100000000, 0.0003723200000000, 0.0000781700000000 ] - [ 0.0002766700000000, -0.0007542800000000, -0.0000079100000000 ] - [ -0.0000633200000000, 0.0003674300000000, -0.0000923500000000 ] - [ -0.0000612200000000, 0.0013455100000000, 0.0000273300000000 ] - [ -0.0001471200000000, -0.0006890900000000, 0.0004228700000000 ] - [ 0.0000341600000000, -0.0006897600000000, -0.0003627300000000 ] - [ -0.0001168600000000, 0.0087393900000000, 0.0000540600000000 ] - [ 0.0008358600000000, -0.0033551700000000, 0.0001730100000000 ] - [ -0.0009422000000000, -0.0033516700000000, -0.0001099800000000 ] - [ 0.0007751200000000, 0.0009226900000000, 0.0033583000000000 ] - [ -0.0002961400000000, -0.0009285900000000, -0.0004748300000000 ] - [ -0.0013760100000000, 0.0009274000000000, -0.0043039200000000 ] - [ 0.0029850900000000, 0.0010079300000000, -0.0022785000000000 ] - [ -0.0002985000000000, -0.0011614100000000, -0.0004758200000000 ] - [ -0.0035758200000000, 0.0010038100000000, 0.0013260000000000 ] - [ 0.0079971400000000, 0.0063631900000000, -0.0040992100000000 ] - [ -0.0010628800000000, 0.0034896800000000, 0.0002883300000000 ] - [ -0.0099924800000000, 0.0063745000000000, 0.0046010600000000 ] - [ -0.0018962000000000, -0.0006466900000000, 0.0022721800000000 ] - [ -0.0010673900000000, 0.0011860200000000, 0.0002864900000000 ] - [ -0.0002505500000000, -0.0006441300000000, -0.0016844000000000 ] - [ 0.0001713800000000, -0.2624124600000000, 0.0007859700000000 ] - [ 0.0001784800000000, 0.0167272900000000, 0.0007707800000000 ] - [ 0.0001812900000000, 0.0167671800000000, 0.0007905400000000 ] - [ 0.0001787000000000, -0.0046452100000000, 0.0007822000000000 ] - [ 0.0001796800000000, 0.0022940000000000, 0.0007821600000000 ] - [ 0.0001826500000000, 0.0022970600000000, 0.0007796200000000 ] - [ 0.0006670700000000, -0.0031071400000000, 0.0004343500000000 ] - [ 0.0019694500000000, 0.0019985700000000, 0.0000829800000000 ] - [ -0.0006377100000000, 0.0019958400000000, 0.0007634200000000 ] - [ 0.0006633200000000, -0.0027818400000000, 0.0004204800000000 ] - [ 0.0016777300000000, 0.0017660900000000, 0.0028307400000000 ] - [ -0.0003501500000000, 0.0017580100000000, -0.0019839700000000 ] - [ 0.0004968200000000, -0.0006776200000000, -0.0022407500000000 ] - [ -0.0001591600000000, 0.0012141600000000, -0.0002493800000000 ] - [ -0.0008110900000000, -0.0006786500000000, 0.0017364500000000 ] - [ 0.0053338200000000, 0.0066977900000000, 0.0094492400000000 ] - [ -0.0001509600000000, 0.0033343000000000, -0.0002354900000000 ] - [ -0.0055674100000000, 0.0066996800000000, -0.0097907200000000 ] - [ 0.0011211000000000, -0.0011114900000000, -0.0005131400000000 ] - [ 0.0009346100000000, 0.0005289300000000, -0.0006109500000000 ] - [ 0.0012934500000000, 0.0005348900000000, -0.0004110400000000 ] - [ 0.0010776700000000, -0.0046606900000000, -0.0005202400000000 ] - [ 0.0030672600000000, 0.0022493000000000, -0.0005999100000000 ] - [ -0.0008268000000000, 0.0022530800000000, -0.0004272100000000 ] - [ -0.0010355800000000, -0.0046649400000000, 0.0003019800000000 ] - [ -0.0030225000000000, 0.0022461500000000, 0.0003754400000000 ] - [ 0.0008708400000000, 0.0022574200000000, 0.0002111100000000 ] - [ -0.0010734400000000, -0.0011114600000000, 0.0002935000000000 ] - [ -0.0008932000000000, 0.0005271800000000, 0.0003931400000000 ] - [ -0.0012524200000000, 0.0005366600000000, 0.0001881800000000 ] - [ 0.0001843100000000, -0.0026994200000000, 0.0007806100000000 ] - [ 0.0001786600000000, 0.0053356700000000, 0.0007818600000000 ] - [ 0.0001773200000000, -0.0026745900000000, 0.0007801100000000 ] - [ 0.0001816400000000, -0.0019139300000000, 0.0007823400000000 ] - [ 0.0001799000000000, 0.0041530200000000, 0.0007825100000000 ] - [ 0.0001775400000000, -0.0019067700000000, 0.0007769700000000 ] - [ -0.0048589800000000, 0.0067646000000000, -0.0093131600000000 ] - [ 0.0006592700000000, 0.0033328900000000, 0.0004063400000000 ] - [ 0.0061039600000000, 0.0067575100000000, 0.0100073000000000 ] - [ 0.0000098600000000, -0.0006787700000000, 0.0024137900000000 ] - [ 0.0006655700000000, 0.0012156100000000, 0.0004179200000000 ] - [ 0.0013165300000000, -0.0006803400000000, -0.0015607600000000 ] - [ -0.0001591900000000, -0.0027760900000000, -0.0002559200000000 ] - [ -0.0011677300000000, 0.0017677700000000, -0.0026568200000000 ] - [ 0.0008507300000000, 0.0017525300000000, 0.0021572400000000 ] - [ -0.0001632300000000, -0.0031036500000000, -0.0002662800000000 ] - [ -0.0014637800000000, 0.0019978600000000, 0.0000916800000000 ] - [ 0.0011458500000000, 0.0019920700000000, -0.0005901800000000 ] - [ 0.0019398400000000, -0.0006473400000000, -0.0024952800000000 ] - [ 0.0011121600000000, 0.0011815600000000, -0.0005060500000000 ] - [ 0.0003035700000000, -0.0006382800000000, 0.0014615000000000 ] - [ -0.0079329000000000, 0.0063377400000000, 0.0038879700000000 ] - [ 0.0011078300000000, 0.0034945800000000, -0.0005034400000000 ] - [ 0.0100204900000000, 0.0063490200000000, -0.0048371700000000 ] - [ -0.0001375700000000, 0.0856458400000000, -0.0002381600000000 ] - [ -0.0001539300000000, -0.0142542100000000, -0.0003124900000000 ] - [ -0.0001713900000000, 0.0792289500000000, -0.0003771100000000 ] - [ -0.0001549000000000, 0.0017548900000000, -0.0003049400000000 ] - [ -0.0001551500000000, -0.0035338300000000, -0.0003069500000000 ] - [ -0.0001561500000000, 0.0017471000000000, -0.0003142300000000 ] - [ -0.0001517300000000, 0.0068939300000000, -0.0003050300000000 ] - [ -0.0001508700000000, -0.0035188200000000, -0.0003085700000000 ] - [ -0.0001528700000000, -0.0035279200000000, -0.0003166300000000 ] - [ -0.0001542300000000, 0.0029529800000000, -0.0003051900000000 ] - [ -0.0001502100000000, -0.0013832700000000, -0.0003066200000000 ] - [ -0.0001491000000000, -0.0013880400000000, -0.0003148500000000 ]- atom: 67 displacement: [ -0.0033530628758559, 0.0000000000000000, 0.0094210917281681 ] forces: - [ 0.0008557900000000, 0.0000815100000000, -0.0004131600000000 ] - [ -0.0000721000000000, 0.0000000000000000, 0.0000435700000000 ] - [ 0.0008557900000000, -0.0000815100000000, -0.0004131600000000 ] - [ -0.0003127900000000, -0.0001202200000000, -0.0008854600000000 ] - [ -0.0000537300000000, 0.0000000000000000, 0.0000279700000000 ] - [ -0.0003127900000000, 0.0001202200000000, -0.0008854600000000 ] - [ 0.0000337500000000, 0.0013981200000000, -0.0016811800000000 ] - [ -0.0004452400000000, 0.0000000000000000, -0.0000283000000000 ] - [ 0.0000337500000000, -0.0013981200000000, -0.0016811800000000 ] - [ 0.0000328500000000, -0.0014111400000000, -0.0016856900000000 ] - [ -0.0004458500000000, 0.0000000000000000, -0.0000276900000000 ] - [ 0.0000328500000000, 0.0014111400000000, -0.0016856900000000 ] - [ 0.0067959800000000, 0.0000000000000000, 0.0021994300000000 ] - [ 0.0003300800000000, 0.0009247800000000, 0.0003226400000000 ] - [ 0.0003300800000000, -0.0009247800000000, 0.0003226400000000 ] - [ 0.0002592400000000, 0.0000000000000000, -0.0007383600000000 ] - [ 0.0002862700000000, -0.0001284000000000, -0.0001915700000000 ] - [ 0.0002862700000000, 0.0001284000000000, -0.0001915700000000 ] - [ -0.0000393500000000, 0.0000161400000000, -0.0002025300000000 ] - [ -0.0000559900000000, 0.0000000000000000, -0.0000353400000000 ] - [ -0.0000393500000000, -0.0000161400000000, -0.0002025300000000 ] - [ -0.0002741400000000, 0.0000762000000000, 0.0014759700000000 ] - [ -0.0000526300000000, 0.0000000000000000, 0.0000956400000000 ] - [ -0.0002741400000000, -0.0000762000000000, 0.0014759700000000 ] - [ 0.0000449900000000, 0.0000000000000000, -0.0008983500000000 ] - [ -0.0001981000000000, 0.0001159900000000, -0.0006172400000000 ] - [ -0.0001981000000000, -0.0001159900000000, -0.0006172400000000 ] - [ -0.0069554200000000, 0.0000000000000000, -0.0026266600000000 ] - [ -0.0005249100000000, -0.0008076400000000, -0.0003491700000000 ] - [ -0.0005249100000000, 0.0008076400000000, -0.0003491700000000 ] - [ -0.0067372500000000, 0.0000000000000000, -0.0021519000000000 ] - [ -0.0002890800000000, 0.0008088600000000, 0.0001711700000000 ] - [ -0.0002890800000000, -0.0008088600000000, 0.0001711700000000 ] - [ 0.0002795700000000, 0.0000000000000000, -0.0003807200000000 ] - [ 0.0000344500000000, -0.0001167800000000, -0.0000972800000000 ] - [ 0.0000344500000000, 0.0001167800000000, -0.0000972800000000 ] - [ -0.0005254900000000, 0.0000000000000000, -0.0000114600000000 ] - [ -0.0004807000000000, 0.0000839000000000, -0.0000168900000000 ] - [ -0.0004807000000000, -0.0000839000000000, -0.0000168900000000 ] - [ -0.0005238800000000, 0.0000000000000000, -0.0000096000000000 ] - [ -0.0004801200000000, -0.0000836900000000, -0.0000164300000000 ] - [ -0.0004801200000000, 0.0000836900000000, -0.0000164300000000 ] - [ 0.0000609800000000, -0.0000739700000000, 0.0014401500000000 ] - [ 0.0002813200000000, 0.0000000000000000, 0.0000590900000000 ] - [ 0.0000609800000000, 0.0000739700000000, 0.0014401500000000 ] - [ 0.0002958200000000, -0.0000162800000000, -0.0002382100000000 ] - [ 0.0002795200000000, 0.0000000000000000, -0.0000723400000000 ] - [ 0.0002958200000000, 0.0000162800000000, -0.0002382100000000 ] - [ -0.0000746000000000, 0.0000000000000000, -0.0007000900000000 ] - [ -0.0000476200000000, 0.0001287900000000, -0.0001559000000000 ] - [ -0.0000476200000000, -0.0001287900000000, -0.0001559000000000 ] - [ 0.0063566800000000, 0.0000000000000000, 0.0023007400000000 ] - [ -0.0000043600000000, -0.0009241900000000, 0.0003586500000000 ] - [ -0.0000043600000000, 0.0009241900000000, 0.0003586500000000 ] - [ -0.0005433600000000, 0.0001194900000000, -0.0014069200000000 ] - [ -0.0002849400000000, 0.0000000000000000, -0.0004930600000000 ] - [ -0.0005433600000000, -0.0001194900000000, -0.0014069200000000 ] - [ 0.0006225700000000, -0.0000829900000000, -0.0009326200000000 ] - [ -0.0003063500000000, 0.0000000000000000, -0.0004757400000000 ] - [ 0.0006225700000000, 0.0000829900000000, -0.0009326200000000 ] - [ -0.0036579900000000, -0.0075375600000000, -0.0013649200000000 ] - [ -0.0009342100000000, 0.0000000000000000, 0.0001165900000000 ] - [ -0.0036579900000000, 0.0075375600000000, -0.0013649200000000 ] - [ -0.0013240800000000, 0.0002103500000000, 0.0013118700000000 ] - [ -0.0011313200000000, 0.0000000000000000, 0.0004282100000000 ] - [ -0.0013240800000000, -0.0002103500000000, 0.0013118700000000 ] - [ 0.0063823200000000, 0.0000000000000000, -0.0131210000000000 ] - [ 0.0005295200000000, -0.0000156000000000, -0.0002426200000000 ] - [ 0.0005295200000000, 0.0000156000000000, -0.0002426200000000 ] - [ -0.0000107100000000, 0.0000000000000000, 0.0014253600000000 ] - [ 0.0000976700000000, 0.0000018400000000, 0.0010513500000000 ] - [ 0.0000976700000000, -0.0000018400000000, 0.0010513500000000 ] - [ -0.0010223800000000, 0.0000000000000000, 0.0003116300000000 ] - [ 0.0001214900000000, -0.0004054100000000, 0.0003205500000000 ] - [ 0.0001214900000000, 0.0004054100000000, 0.0003205500000000 ] - [ 0.0016166900000000, 0.0000000000000000, 0.0020458800000000 ] - [ 0.0009588000000000, 0.0003285100000000, 0.0009954400000000 ] - [ 0.0009588000000000, -0.0003285100000000, 0.0009954400000000 ] - [ -0.0005031900000000, -0.0001450300000000, 0.0006776400000000 ] - [ -0.0001595700000000, 0.0000000000000000, -0.0001019300000000 ] - [ -0.0005031900000000, 0.0001450300000000, 0.0006776400000000 ] - [ 0.0031462700000000, 0.0068725300000000, -0.0003171200000000 ] - [ -0.0001721600000000, 0.0000000000000000, -0.0004457200000000 ] - [ 0.0031462700000000, -0.0068725300000000, -0.0003171200000000 ] - [ 0.0012162900000000, 0.0000000000000000, 0.0000482200000000 ] - [ 0.0011312200000000, -0.0000029800000000, -0.0002724600000000 ] - [ 0.0011312200000000, 0.0000029800000000, -0.0002724600000000 ] - [ 0.0009525700000000, 0.0000000000000000, -0.0025661800000000 ] - [ 0.0011991000000000, -0.0000468100000000, -0.0011852600000000 ] - [ 0.0011991000000000, 0.0000468100000000, -0.0011852600000000 ] - [ -0.0012113600000000, 0.0000000000000000, -0.0017653600000000 ] - [ -0.0009898900000000, 0.0000448900000000, -0.0003821900000000 ] - [ -0.0009898900000000, -0.0000448900000000, -0.0003821900000000 ] - [ -0.0009694700000000, 0.0000000000000000, 0.0008509900000000 ] - [ -0.0010535500000000, 0.0000018900000000, 0.0005274500000000 ] - [ -0.0010535500000000, -0.0000018900000000, 0.0005274500000000 ] - [ -0.0004648000000000, -0.0000009200000000, 0.0002579700000000 ] - [ 0.0001654700000000, 0.0000000000000000, 0.0005787800000000 ] - [ -0.0004648000000000, 0.0000009200000000, 0.0002579700000000 ] - [ 0.0003619200000000, 0.0000015300000000, 0.0011988000000000 ] - [ 0.0002525400000000, 0.0000000000000000, 0.0009850000000000 ] - [ 0.0003619200000000, -0.0000015300000000, 0.0011988000000000 ] - [ 0.0039462000000000, -0.0068573200000000, 0.0003402600000000 ] - [ 0.0006549400000000, 0.0000000000000000, 0.0002281800000000 ] - [ 0.0039462000000000, 0.0068573200000000, 0.0003402600000000 ] - [ 0.0003234500000000, 0.0001471700000000, 0.0013540700000000 ] - [ 0.0006689200000000, 0.0000000000000000, 0.0005717800000000 ] - [ 0.0003234500000000, -0.0001471700000000, 0.0013540700000000 ] - [ 0.0007869600000000, 0.0000000000000000, 0.0013689400000000 ] - [ 0.0001301900000000, -0.0003273300000000, 0.0003215200000000 ] - [ 0.0001301900000000, 0.0003273300000000, 0.0003215200000000 ] - [ -0.0018588100000000, 0.0000000000000000, -0.0003686500000000 ] - [ -0.0007060300000000, 0.0004065100000000, -0.0003543000000000 ] - [ -0.0007060300000000, -0.0004065100000000, -0.0003543000000000 ] - [ 0.0008585600000000, -0.0002103900000000, 0.0005094700000000 ] - [ 0.0010513100000000, 0.0000000000000000, -0.0003709300000000 ] - [ 0.0008585600000000, 0.0002103900000000, 0.0005094700000000 ] - [ -0.0015127100000000, 0.0075784600000000, -0.0021652700000000 ] - [ 0.0012552500000000, 0.0000000000000000, -0.0006884700000000 ] - [ -0.0015127100000000, -0.0075784600000000, -0.0021652700000000 ] - [ -0.0052962300000000, -0.0001568100000000, 0.0128442600000000 ] - [ -0.0002967900000000, 0.0000000000000000, 0.0000297700000000 ] - [ -0.0052962300000000, 0.0001568100000000, 0.0128442600000000 ] - [ 0.0004318000000000, -0.0000027000000000, -0.0020757600000000 ] - [ -0.0000837900000000, 0.0000000000000000, -0.0006090800000000 ] - [ 0.0004318000000000, 0.0000027000000000, -0.0020757600000000 ] - [ 0.0017866200000000, 0.0000000000000000, 0.0017925700000000 ] - [ 0.0004583100000000, 0.0000002300000000, 0.0005762500000000 ] - [ 0.0004583100000000, -0.0000002300000000, 0.0005762500000000 ] - [ -0.0009263200000000, 0.0000000000000000, -0.0023434100000000 ] - [ -0.0004324900000000, -0.0000004400000000, -0.0010443300000000 ] - [ -0.0004324900000000, 0.0000004400000000, -0.0010443300000000 ]- atom: 67 displacement: [ 0.0033530628758559, 0.0000000000000000, -0.0094210917281681 ] forces: - [ -0.0009763000000000, -0.0000835800000000, 0.0004857600000000 ] - [ -0.0000476500000000, 0.0000000000000000, 0.0000297900000000 ] - [ -0.0009763000000000, 0.0000835800000000, 0.0004857600000000 ] - [ 0.0001903100000000, 0.0001175200000000, 0.0009627000000000 ] - [ -0.0000656100000000, 0.0000000000000000, 0.0000488400000000 ] - [ 0.0001903100000000, -0.0001175200000000, 0.0009627000000000 ] - [ -0.0009267200000000, -0.0014167500000000, 0.0016854900000000 ] - [ -0.0004456700000000, 0.0000000000000000, 0.0000266200000000 ] - [ -0.0009267200000000, 0.0014167500000000, 0.0016854900000000 ] - [ -0.0009227000000000, 0.0013921700000000, 0.0016811500000000 ] - [ -0.0004465600000000, 0.0000000000000000, 0.0000280200000000 ] - [ -0.0009227000000000, -0.0013921700000000, 0.0016811500000000 ] - [ -0.0061083800000000, 0.0000000000000000, -0.0023037400000000 ] - [ 0.0002289600000000, -0.0009240800000000, -0.0003346300000000 ] - [ 0.0002289600000000, 0.0009240800000000, -0.0003346300000000 ] - [ 0.0002949100000000, 0.0000000000000000, 0.0007186700000000 ] - [ 0.0002696000000000, 0.0001272300000000, 0.0001782300000000 ] - [ 0.0002696000000000, -0.0001272300000000, 0.0001782300000000 ] - [ -0.0000717900000000, -0.0000166600000000, 0.0002608000000000 ] - [ -0.0000571900000000, 0.0000000000000000, 0.0000940200000000 ] - [ -0.0000717900000000, 0.0000166600000000, 0.0002608000000000 ] - [ 0.0001615300000000, -0.0000711200000000, -0.0014192900000000 ] - [ -0.0000587900000000, 0.0000000000000000, -0.0000368400000000 ] - [ 0.0001615300000000, 0.0000711200000000, -0.0014192900000000 ] - [ -0.0006328800000000, 0.0000000000000000, -0.0000644000000000 ] - [ -0.0003882500000000, -0.0001160500000000, -0.0003483000000000 ] - [ -0.0003882500000000, 0.0001160500000000, -0.0003483000000000 ] - [ 0.0063875900000000, 0.0000000000000000, 0.0017552900000000 ] - [ -0.0000600000000000, 0.0008093000000000, -0.0006168400000000 ] - [ -0.0000600000000000, -0.0008093000000000, -0.0006168400000000 ] - [ 0.0065939600000000, 0.0000000000000000, 0.0021323500000000 ] - [ 0.0001670600000000, -0.0008072800000000, -0.0000956700000000 ] - [ 0.0001670600000000, 0.0008072800000000, -0.0000956700000000 ] - [ -0.0003988500000000, 0.0000000000000000, 0.0004549800000000 ] - [ -0.0001524600000000, 0.0001160600000000, 0.0001733800000000 ] - [ -0.0001524600000000, -0.0001160600000000, 0.0001733800000000 ] - [ -0.0003674000000000, 0.0000000000000000, 0.0000072100000000 ] - [ -0.0004110100000000, -0.0000836900000000, 0.0000154700000000 ] - [ -0.0004110100000000, 0.0000836900000000, 0.0000154700000000 ] - [ -0.0003669800000000, 0.0000000000000000, 0.0000134300000000 ] - [ -0.0004116500000000, 0.0000836700000000, 0.0000162300000000 ] - [ -0.0004116500000000, -0.0000836700000000, 0.0000162300000000 ] - [ 0.0004947300000000, 0.0000781700000000, -0.0014541100000000 ] - [ 0.0002758500000000, 0.0000000000000000, -0.0000720800000000 ] - [ 0.0004947300000000, -0.0000781700000000, -0.0014541100000000 ] - [ 0.0002612500000000, 0.0000161700000000, 0.0002256100000000 ] - [ 0.0002797900000000, 0.0000000000000000, 0.0000596300000000 ] - [ 0.0002612500000000, -0.0000161700000000, 0.0002256100000000 ] - [ -0.0000354400000000, 0.0000000000000000, 0.0007618700000000 ] - [ -0.0000634500000000, -0.0001284200000000, 0.0002127300000000 ] - [ -0.0000634500000000, 0.0001284200000000, 0.0002127300000000 ] - [ -0.0065992100000000, 0.0000000000000000, -0.0021538700000000 ] - [ -0.0001080800000000, 0.0009251600000000, -0.0003020500000000 ] - [ -0.0001080800000000, -0.0009251600000000, -0.0003020500000000 ] - [ -0.0000404900000000, -0.0001204800000000, 0.0004382700000000 ] - [ -0.0003026200000000, 0.0000000000000000, -0.0004758800000000 ] - [ -0.0000404900000000, 0.0001204800000000, 0.0004382700000000 ] - [ -0.0012071200000000, 0.0000812400000000, -0.0000314100000000 ] - [ -0.0002802200000000, 0.0000000000000000, -0.0004892400000000 ] - [ -0.0012071200000000, -0.0000812400000000, -0.0000314100000000 ] - [ 0.0015706600000000, 0.0075834100000000, 0.0019496600000000 ] - [ -0.0012112800000000, 0.0000000000000000, 0.0004666800000000 ] - [ 0.0015706600000000, -0.0075834100000000, 0.0019496600000000 ] - [ -0.0008148800000000, -0.0002067500000000, -0.0007302900000000 ] - [ -0.0010064500000000, 0.0000000000000000, 0.0001505200000000 ] - [ -0.0008148800000000, 0.0002067500000000, -0.0007302900000000 ] - [ -0.0060443900000000, 0.0000000000000000, 0.0147358300000000 ] - [ -0.0001683500000000, -0.0000290600000000, 0.0018044300000000 ] - [ -0.0001683500000000, 0.0000290600000000, 0.0018044300000000 ] - [ 0.0003694100000000, 0.0000000000000000, 0.0001370700000000 ] - [ 0.0002636900000000, 0.0000024900000000, 0.0005091700000000 ] - [ 0.0002636900000000, -0.0000024900000000, 0.0005091700000000 ] - [ 0.0023690300000000, 0.0000000000000000, 0.0005445400000000 ] - [ 0.0012134200000000, 0.0004061300000000, 0.0005300200000000 ] - [ 0.0012134200000000, -0.0004061300000000, 0.0005300200000000 ] - [ -0.0002763900000000, 0.0000000000000000, -0.0011955800000000 ] - [ 0.0003751700000000, -0.0003273900000000, -0.0001493100000000 ] - [ 0.0003751700000000, 0.0003273900000000, -0.0001493100000000 ] - [ 0.0001822900000000, 0.0001477800000000, -0.0011819600000000 ] - [ -0.0001618000000000, 0.0000000000000000, -0.0004009700000000 ] - [ 0.0001822900000000, -0.0001477800000000, -0.0011819600000000 ] - [ -0.0034227400000000, -0.0068412700000000, -0.0001588500000000 ] - [ -0.0001500600000000, 0.0000000000000000, -0.0000549700000000 ] - [ -0.0034227400000000, 0.0068412700000000, -0.0001588500000000 ] - [ 0.0010142000000000, 0.0000000000000000, -0.0010696500000000 ] - [ 0.0010985000000000, 0.0000041900000000, -0.0007497400000000 ] - [ 0.0010985000000000, -0.0000041900000000, -0.0007497400000000 ] - [ 0.0012413200000000, 0.0000000000000000, 0.0015407500000000 ] - [ 0.0010332300000000, 0.0000445300000000, 0.0001618000000000 ] - [ 0.0010332300000000, -0.0000445300000000, 0.0001618000000000 ] - [ -0.0008949900000000, 0.0000000000000000, 0.0023493500000000 ] - [ -0.0011545700000000, -0.0000461100000000, 0.0009644300000000 ] - [ -0.0011545700000000, 0.0000461100000000, 0.0009644300000000 ] - [ -0.0011688900000000, 0.0000000000000000, -0.0002692500000000 ] - [ -0.0010888800000000, -0.0000029700000000, 0.0000503300000000 ] - [ -0.0010888800000000, 0.0000029700000000, 0.0000503300000000 ] - [ 0.0008251800000000, -0.0000033400000000, 0.0013039900000000 ] - [ 0.0001959200000000, 0.0000000000000000, 0.0009837200000000 ] - [ 0.0008251800000000, 0.0000033400000000, 0.0013039900000000 ] - [ -0.0000009800000000, 0.0000024600000000, 0.0003623800000000 ] - [ 0.0001064500000000, 0.0000000000000000, 0.0005768400000000 ] - [ -0.0000009800000000, -0.0000024600000000, 0.0003623800000000 ] - [ -0.0026563600000000, 0.0068888700000000, 0.0004821700000000 ] - [ 0.0006794900000000, 0.0000000000000000, 0.0006207100000000 ] - [ -0.0026563600000000, -0.0068888700000000, 0.0004821700000000 ] - [ 0.0010097700000000, -0.0001441900000000, -0.0005058000000000 ] - [ 0.0006670700000000, 0.0000000000000000, 0.0002744500000000 ] - [ 0.0010097700000000, 0.0001441900000000, -0.0005058000000000 ] - [ -0.0011120300000000, 0.0000000000000000, -0.0018759400000000 ] - [ -0.0004536900000000, 0.0003279900000000, -0.0008221200000000 ] - [ -0.0004536900000000, -0.0003279900000000, -0.0008221200000000 ] - [ 0.0015249600000000, 0.0000000000000000, -0.0001427300000000 ] - [ 0.0003839300000000, -0.0004061400000000, -0.0001485800000000 ] - [ 0.0003839300000000, 0.0004061400000000, -0.0001485800000000 ] - [ 0.0013692100000000, 0.0002093500000000, -0.0015337900000000 ] - [ 0.0011779500000000, 0.0000000000000000, -0.0006499600000000 ] - [ 0.0013692100000000, -0.0002093500000000, -0.0015337900000000 ] - [ 0.0036880600000000, -0.0075326000000000, 0.0011400000000000 ] - [ 0.0009776200000000, 0.0000000000000000, -0.0003366600000000 ] - [ 0.0036880600000000, 0.0075326000000000, 0.0011400000000000 ] - [ 0.0049887100000000, -0.0002958900000000, -0.0134688300000000 ] - [ -0.0000105100000000, 0.0000000000000000, -0.0006541800000000 ] - [ 0.0049887100000000, 0.0002958900000000, -0.0134688300000000 ] - [ -0.0007388700000000, -0.0000030100000000, 0.0014542700000000 ] - [ -0.0002259000000000, 0.0000000000000000, -0.0000111200000000 ] - [ -0.0007388700000000, 0.0000030100000000, 0.0014542700000000 ] - [ -0.0020923200000000, 0.0000000000000000, -0.0024134100000000 ] - [ -0.0007651500000000, 0.0000017300000000, -0.0012006400000000 ] - [ -0.0007651500000000, -0.0000017300000000, -0.0012006400000000 ] - [ 0.0006160900000000, 0.0000000000000000, 0.0017223600000000 ] - [ 0.0001276600000000, -0.0000017100000000, 0.0004221700000000 ] - [ 0.0001276600000000, 0.0000017100000000, 0.0004221700000000 ]- atom: 73 displacement: [ 0.0099999834948202, 0.0000000000000000, 0.0000181687457952 ] forces: - [ 0.0055843400000000, 0.0035163000000000, 0.0000309800000000 ] - [ 0.0001407700000000, 0.0000000000000000, 0.0001534900000000 ] - [ 0.0055843400000000, -0.0035163000000000, 0.0000309800000000 ] - [ 0.0002294300000000, -0.0000138900000000, 0.0002532100000000 ] - [ 0.0000328100000000, 0.0000000000000000, 0.0000196500000000 ] - [ 0.0002294300000000, 0.0000138900000000, 0.0002532100000000 ] - [ -0.0019786900000000, 0.0012609900000000, -0.0006877600000000 ] - [ -0.0004650900000000, 0.0000000000000000, 0.0000254600000000 ] - [ -0.0019786900000000, -0.0012609900000000, -0.0006877600000000 ] - [ -0.0007328500000000, 0.0000239300000000, -0.0002454400000000 ] - [ -0.0004816200000000, 0.0000000000000000, -0.0000504300000000 ] - [ -0.0007328500000000, -0.0000239300000000, -0.0002454400000000 ] - [ 0.0001972500000000, 0.0000000000000000, 0.0029250900000000 ] - [ 0.0007968500000000, 0.0007863900000000, 0.0002034800000000 ] - [ 0.0007968500000000, -0.0007863900000000, 0.0002034800000000 ] - [ 0.0008025300000000, 0.0000000000000000, 0.0001621800000000 ] - [ 0.0004390600000000, 0.0001227000000000, -0.0000287700000000 ] - [ 0.0004390600000000, -0.0001227000000000, -0.0000287700000000 ] - [ 0.0008267800000000, -0.0004378400000000, 0.0003893900000000 ] - [ 0.0000254800000000, 0.0000000000000000, 0.0000822000000000 ] - [ 0.0008267800000000, 0.0004378400000000, 0.0003893900000000 ] - [ 0.0009905700000000, 0.0008322100000000, 0.0010450200000000 ] - [ 0.0001322800000000, 0.0000000000000000, 0.0001001400000000 ] - [ 0.0009905700000000, -0.0008322100000000, 0.0010450200000000 ] - [ 0.0047770500000000, 0.0000000000000000, 0.0015867300000000 ] - [ 0.0000640200000000, 0.0004948400000000, -0.0002363100000000 ] - [ 0.0000640200000000, -0.0004948400000000, -0.0002363100000000 ] - [ -0.0002387800000000, 0.0000000000000000, -0.0001823200000000 ] - [ -0.0000121200000000, 0.0002065500000000, -0.0004532300000000 ] - [ -0.0000121200000000, -0.0002065500000000, -0.0004532300000000 ] - [ -0.0036217800000000, 0.0000000000000000, 0.0016182400000000 ] - [ -0.0004577100000000, 0.0000008100000000, 0.0000882300000000 ] - [ -0.0004577100000000, -0.0000008100000000, 0.0000882300000000 ] - [ -0.0004557700000000, 0.0000000000000000, -0.0004005800000000 ] - [ -0.0002215100000000, 0.0000355400000000, -0.0003310000000000 ] - [ -0.0002215100000000, -0.0000355400000000, -0.0003310000000000 ] - [ -0.0012975400000000, 0.0000000000000000, 0.0056981600000000 ] - [ -0.0004270400000000, -0.0003373300000000, 0.0003100200000000 ] - [ -0.0004270400000000, 0.0003373300000000, 0.0003100200000000 ] - [ 0.0000786400000000, 0.0000000000000000, 0.0000666500000000 ] - [ -0.0002915400000000, -0.0000439900000000, -0.0002511400000000 ] - [ -0.0002915400000000, 0.0000439900000000, -0.0002511400000000 ] - [ -0.0010161900000000, -0.0026067800000000, -0.0005159300000000 ] - [ 0.0000606500000000, 0.0000000000000000, -0.0000422700000000 ] - [ -0.0010161900000000, 0.0026067800000000, -0.0005159300000000 ] - [ 0.0000558400000000, -0.0000687900000000, -0.0001806400000000 ] - [ 0.0002062900000000, 0.0000000000000000, -0.0000991900000000 ] - [ 0.0000558400000000, 0.0000687900000000, -0.0001806400000000 ] - [ -0.0008639000000000, 0.0000000000000000, -0.0001207000000000 ] - [ -0.0002670300000000, 0.0001272500000000, -0.0000244300000000 ] - [ -0.0002670300000000, -0.0001272500000000, -0.0000244300000000 ] - [ -0.0015812700000000, 0.0000000000000000, -0.0024360500000000 ] - [ -0.0004459900000000, -0.0001782900000000, -0.0000134900000000 ] - [ -0.0004459900000000, 0.0001782900000000, -0.0000134900000000 ] - [ -0.0009410600000000, -0.0003888100000000, -0.0003089400000000 ] - [ -0.0004122400000000, 0.0000000000000000, -0.0004653500000000 ] - [ -0.0009410600000000, 0.0003888100000000, -0.0003089400000000 ] - [ -0.0007568100000000, -0.0001824500000000, -0.0012432700000000 ] - [ -0.0005101800000000, 0.0000000000000000, -0.0005889800000000 ] - [ -0.0007568100000000, 0.0001824500000000, -0.0012432700000000 ] - [ 0.0053388200000000, -0.0061762000000000, -0.0036626700000000 ] - [ -0.0013744200000000, 0.0000000000000000, 0.0002370000000000 ] - [ 0.0053388200000000, 0.0061762000000000, -0.0036626700000000 ] - [ -0.0016139500000000, 0.0000824000000000, 0.0008199500000000 ] - [ -0.0012203500000000, 0.0000000000000000, 0.0003463700000000 ] - [ -0.0016139500000000, -0.0000824000000000, 0.0008199500000000 ] - [ 0.0036339300000000, 0.0000000000000000, 0.0002166200000000 ] - [ 0.0009161000000000, -0.0012963900000000, 0.0004647200000000 ] - [ 0.0009161000000000, 0.0012963900000000, 0.0004647200000000 ] - [ 0.0004946800000000, 0.0000000000000000, 0.0019008300000000 ] - [ 0.0003670400000000, -0.0010144900000000, 0.0011583600000000 ] - [ 0.0003670400000000, 0.0010144900000000, 0.0011583600000000 ] - [ -0.0718942800000000, 0.0000000000000000, -0.0568711600000000 ] - [ -0.0003644800000000, -0.0000354500000000, -0.0003532500000000 ] - [ -0.0003644800000000, 0.0000354500000000, -0.0003532500000000 ] - [ 0.0005209400000000, 0.0000000000000000, -0.0004742000000000 ] - [ 0.0004320900000000, -0.0000169400000000, 0.0003793900000000 ] - [ 0.0004320900000000, 0.0000169400000000, 0.0003793900000000 ] - [ -0.0001694200000000, -0.0034756300000000, 0.0040001700000000 ] - [ -0.0003985700000000, 0.0000000000000000, -0.0005445200000000 ] - [ -0.0001694200000000, 0.0034756300000000, 0.0040001700000000 ] - [ 0.0000221000000000, -0.0000274900000000, -0.0013421200000000 ] - [ -0.0004763500000000, 0.0000000000000000, -0.0003903800000000 ] - [ 0.0000221000000000, 0.0000274900000000, -0.0013421200000000 ] - [ 0.0001302700000000, 0.0000000000000000, -0.0050546500000000 ] - [ 0.0007197400000000, 0.0000082600000000, -0.0006299200000000 ] - [ 0.0007197400000000, -0.0000082600000000, -0.0006299200000000 ] - [ -0.0027547800000000, 0.0000000000000000, -0.0070188800000000 ] - [ 0.0000089200000000, 0.0002194200000000, -0.0005000400000000 ] - [ 0.0000089200000000, -0.0002194200000000, -0.0005000400000000 ] - [ 0.0140315000000000, 0.0000000000000000, 0.0090496500000000 ] - [ -0.0006480800000000, 0.0007133500000000, 0.0001312800000000 ] - [ -0.0006480800000000, -0.0007133500000000, 0.0001312800000000 ] - [ -0.0008379100000000, 0.0000000000000000, 0.0001194500000000 ] - [ -0.0009660000000000, 0.0000278200000000, 0.0004523900000000 ] - [ -0.0009660000000000, -0.0000278200000000, 0.0004523900000000 ] - [ -0.0019660900000000, 0.0055064700000000, 0.0035217200000000 ] - [ 0.0000432700000000, 0.0000000000000000, 0.0007198100000000 ] - [ -0.0019660900000000, -0.0055064700000000, 0.0035217200000000 ] - [ 0.0002544700000000, 0.0006496700000000, 0.0004454300000000 ] - [ 0.0001432200000000, 0.0000000000000000, 0.0007700200000000 ] - [ 0.0002544700000000, -0.0006496700000000, 0.0004454300000000 ] - [ 0.0035727100000000, 0.0009402700000000, 0.0008443400000000 ] - [ 0.0010375300000000, 0.0000000000000000, 0.0005786800000000 ] - [ 0.0035727100000000, -0.0009402700000000, 0.0008443400000000 ] - [ 0.0010136800000000, -0.0000631100000000, 0.0010738600000000 ] - [ 0.0009998400000000, 0.0000000000000000, 0.0009997500000000 ] - [ 0.0010136800000000, 0.0000631100000000, 0.0010738600000000 ] - [ 0.0017598900000000, 0.0000000000000000, -0.0024404900000000 ] - [ 0.0000760700000000, 0.0001011200000000, -0.0003746800000000 ] - [ 0.0000760700000000, -0.0001011200000000, -0.0003746800000000 ] - [ 0.0001980900000000, 0.0000000000000000, 0.0032869300000000 ] - [ 0.0002108700000000, 0.0006285200000000, 0.0004446700000000 ] - [ 0.0002108700000000, -0.0006285200000000, 0.0004446700000000 ] - [ 0.0021692900000000, -0.0001046200000000, -0.0002110700000000 ] - [ 0.0013050700000000, 0.0000000000000000, -0.0005275400000000 ] - [ 0.0021692900000000, 0.0001046200000000, -0.0002110700000000 ] - [ 0.0025423700000000, 0.0007758800000000, 0.0001946600000000 ] - [ 0.0017292900000000, 0.0000000000000000, -0.0006311700000000 ] - [ 0.0025423700000000, -0.0007758800000000, 0.0001946600000000 ] - [ -0.0061158600000000, -0.0001203500000000, 0.0015331800000000 ] - [ -0.0001685200000000, 0.0000000000000000, -0.0002770900000000 ] - [ -0.0061158600000000, 0.0001203500000000, 0.0015331800000000 ] - [ -0.0013713200000000, 0.0006056500000000, -0.0029050400000000 ] - [ -0.0001504100000000, 0.0000000000000000, -0.0003857700000000 ] - [ -0.0013713200000000, -0.0006056500000000, -0.0029050400000000 ] - [ 0.0448181700000000, 0.0000000000000000, 0.0393690300000000 ] - [ 0.0005637600000000, -0.0038632400000000, 0.0002784000000000 ] - [ 0.0005637600000000, 0.0038632400000000, 0.0002784000000000 ] - [ -0.0008673800000000, 0.0000000000000000, 0.0023006600000000 ] - [ -0.0000453300000000, -0.0004829800000000, -0.0002292200000000 ] - [ -0.0000453300000000, 0.0004829800000000, -0.0002292200000000 ]- atom: 73 displacement: [ -0.0099999834948202, 0.0000000000000000, -0.0000181687457952 ] forces: - [ -0.0057281300000000, -0.0034672600000000, 0.0000351400000000 ] - [ -0.0002621000000000, 0.0000000000000000, -0.0000799800000000 ] - [ -0.0057281300000000, 0.0034672600000000, 0.0000351400000000 ] - [ -0.0003525000000000, 0.0000155600000000, -0.0001813100000000 ] - [ -0.0001508900000000, 0.0000000000000000, 0.0000556100000000 ] - [ -0.0003525000000000, -0.0000155600000000, -0.0001813100000000 ] - [ 0.0010903000000000, -0.0012766900000000, 0.0006946900000000 ] - [ -0.0004266200000000, 0.0000000000000000, -0.0000246900000000 ] - [ 0.0010903000000000, 0.0012766900000000, 0.0006946900000000 ] - [ -0.0001595300000000, -0.0000245900000000, 0.0002428700000000 ] - [ -0.0004099700000000, 0.0000000000000000, 0.0000488200000000 ] - [ -0.0001595300000000, 0.0000245900000000, 0.0002428700000000 ] - [ -0.0001796700000000, 0.0000000000000000, -0.0026243700000000 ] - [ -0.0002430100000000, -0.0007867700000000, -0.0002171000000000 ] - [ -0.0002430100000000, 0.0007867700000000, -0.0002171000000000 ] - [ -0.0002519100000000, 0.0000000000000000, -0.0001796100000000 ] - [ 0.0001168600000000, -0.0001227900000000, 0.0000149500000000 ] - [ 0.0001168600000000, 0.0001227900000000, 0.0000149500000000 ] - [ -0.0009373200000000, 0.0004439900000000, -0.0003350200000000 ] - [ -0.0001395200000000, 0.0000000000000000, -0.0000247100000000 ] - [ -0.0009373200000000, -0.0004439900000000, -0.0003350200000000 ] - [ -0.0011123400000000, -0.0008237200000000, -0.0009875000000000 ] - [ -0.0002447500000000, 0.0000000000000000, -0.0000405900000000 ] - [ -0.0011123400000000, 0.0008237200000000, -0.0009875000000000 ] - [ -0.0053574300000000, 0.0000000000000000, -0.0026285300000000 ] - [ -0.0006522900000000, -0.0004923300000000, -0.0007290500000000 ] - [ -0.0006522900000000, 0.0004923300000000, -0.0007290500000000 ] - [ -0.0003678100000000, 0.0000000000000000, -0.0007821300000000 ] - [ -0.0005788400000000, -0.0002074500000000, -0.0005132400000000 ] - [ -0.0005788400000000, 0.0002074500000000, -0.0005132400000000 ] - [ 0.0034901600000000, 0.0000000000000000, -0.0015319400000000 ] - [ 0.0003433800000000, -0.0000039600000000, -0.0000128600000000 ] - [ 0.0003433800000000, 0.0000039600000000, -0.0000128600000000 ] - [ 0.0003347100000000, 0.0000000000000000, 0.0004681000000000 ] - [ 0.0001028600000000, -0.0000363500000000, 0.0004068000000000 ] - [ 0.0001028600000000, 0.0000363500000000, 0.0004068000000000 ] - [ 0.0007940900000000, 0.0000000000000000, -0.0057984900000000 ] - [ -0.0004633800000000, 0.0003371700000000, -0.0003102800000000 ] - [ -0.0004633800000000, -0.0003371700000000, -0.0003102800000000 ] - [ -0.0009582500000000, 0.0000000000000000, -0.0000586200000000 ] - [ -0.0006002600000000, 0.0000446900000000, 0.0002511100000000 ] - [ -0.0006002600000000, -0.0000446900000000, 0.0002511100000000 ] - [ 0.0015776200000000, 0.0025866500000000, 0.0004968200000000 ] - [ 0.0004981100000000, 0.0000000000000000, 0.0000294900000000 ] - [ 0.0015776200000000, -0.0025866500000000, 0.0004968200000000 ] - [ 0.0005020500000000, 0.0000691400000000, 0.0001667300000000 ] - [ 0.0003510700000000, 0.0000000000000000, 0.0000852600000000 ] - [ 0.0005020500000000, -0.0000691400000000, 0.0001667300000000 ] - [ 0.0007513500000000, 0.0000000000000000, 0.0001811400000000 ] - [ 0.0001561600000000, -0.0001269000000000, 0.0000838200000000 ] - [ 0.0001561600000000, 0.0001269000000000, 0.0000838200000000 ] - [ 0.0014661600000000, 0.0000000000000000, 0.0024784000000000 ] - [ 0.0003372300000000, 0.0001773200000000, 0.0000720400000000 ] - [ 0.0003372300000000, -0.0001773200000000, 0.0000720400000000 ] - [ 0.0003551500000000, 0.0003857500000000, -0.0006505900000000 ] - [ -0.0001749000000000, 0.0000000000000000, -0.0005002000000000 ] - [ 0.0003551500000000, -0.0003857500000000, -0.0006505900000000 ] - [ 0.0001737800000000, 0.0001768600000000, 0.0002806000000000 ] - [ -0.0000774800000000, 0.0000000000000000, -0.0003764600000000 ] - [ 0.0001737800000000, -0.0001768600000000, 0.0002806000000000 ] - [ -0.0074895100000000, 0.0062190800000000, 0.0042736200000000 ] - [ -0.0007671300000000, 0.0000000000000000, 0.0003454000000000 ] - [ -0.0074895100000000, -0.0062190800000000, 0.0042736200000000 ] - [ -0.0005222600000000, -0.0000840200000000, -0.0002362000000000 ] - [ -0.0009155700000000, 0.0000000000000000, 0.0002325900000000 ] - [ -0.0005222600000000, 0.0000840200000000, -0.0002362000000000 ] - [ -0.0032687300000000, 0.0000000000000000, 0.0013589200000000 ] - [ -0.0005551500000000, 0.0013107100000000, 0.0010991800000000 ] - [ -0.0005551500000000, -0.0013107100000000, 0.0010991800000000 ] - [ -0.0001323500000000, 0.0000000000000000, -0.0003399600000000 ] - [ -0.0000049300000000, 0.0010182200000000, 0.0004033300000000 ] - [ -0.0000049300000000, -0.0010182200000000, 0.0004033300000000 ] - [ 0.0729650200000000, 0.0000000000000000, 0.0562547100000000 ] - [ 0.0016987400000000, 0.0000303400000000, 0.0011998600000000 ] - [ 0.0016987400000000, -0.0000303400000000, 0.0011998600000000 ] - [ 0.0008147200000000, 0.0000000000000000, 0.0013296300000000 ] - [ 0.0009020600000000, 0.0000189100000000, 0.0004700600000000 ] - [ 0.0009020600000000, -0.0000189100000000, 0.0004700600000000 ] - [ -0.0001254300000000, 0.0034768400000000, -0.0044967300000000 ] - [ 0.0000783800000000, 0.0000000000000000, 0.0000409700000000 ] - [ -0.0001254300000000, -0.0034768400000000, -0.0044967300000000 ] - [ -0.0003324400000000, 0.0000248300000000, 0.0008495800000000 ] - [ 0.0001595800000000, 0.0000000000000000, -0.0001023700000000 ] - [ -0.0003324400000000, -0.0000248300000000, 0.0008495800000000 ] - [ 0.0020444600000000, 0.0000000000000000, 0.0040781400000000 ] - [ 0.0015083800000000, -0.0000102200000000, -0.0003926600000000 ] - [ 0.0015083800000000, 0.0000102200000000, -0.0003926600000000 ] - [ 0.0049821800000000, 0.0000000000000000, 0.0059733500000000 ] - [ 0.0022249400000000, -0.0002225700000000, -0.0005225900000000 ] - [ 0.0022249400000000, 0.0002225700000000, -0.0005225900000000 ] - [ -0.0158699400000000, 0.0000000000000000, -0.0083520200000000 ] - [ -0.0015022600000000, -0.0007141800000000, 0.0004537300000000 ] - [ -0.0015022600000000, 0.0007141800000000, 0.0004537300000000 ] - [ -0.0013058900000000, 0.0000000000000000, 0.0004613500000000 ] - [ -0.0011763800000000, -0.0000315200000000, 0.0001261300000000 ] - [ -0.0011763800000000, 0.0000315200000000, 0.0001261300000000 ] - [ 0.0022892300000000, -0.0054901700000000, -0.0019720400000000 ] - [ 0.0003173300000000, 0.0000000000000000, 0.0008428200000000 ] - [ 0.0022892300000000, 0.0054901700000000, -0.0019720400000000 ] - [ 0.0001024300000000, -0.0006573100000000, 0.0011146600000000 ] - [ 0.0002153800000000, 0.0000000000000000, 0.0007924500000000 ] - [ 0.0001024300000000, 0.0006573100000000, 0.0011146600000000 ] - [ -0.0022371300000000, -0.0009294900000000, 0.0000002000000000 ] - [ 0.0002918600000000, 0.0000000000000000, 0.0002624700000000 ] - [ -0.0022371300000000, 0.0009294900000000, 0.0000002000000000 ] - [ 0.0003202000000000, 0.0000661300000000, -0.0002226500000000 ] - [ 0.0003349900000000, 0.0000000000000000, -0.0001533400000000 ] - [ 0.0003202000000000, -0.0000661300000000, -0.0002226500000000 ] - [ -0.0020806900000000, 0.0000000000000000, 0.0019063900000000 ] - [ -0.0004014300000000, -0.0000976700000000, -0.0001309100000000 ] - [ -0.0004014300000000, 0.0000976700000000, -0.0001309100000000 ] - [ -0.0005500200000000, 0.0000000000000000, -0.0038210000000000 ] - [ -0.0005342500000000, -0.0006308600000000, -0.0009460300000000 ] - [ -0.0005342500000000, 0.0006308600000000, -0.0009460300000000 ] - [ 0.0000624200000000, 0.0001029800000000, -0.0008165100000000 ] - [ 0.0009222500000000, 0.0000000000000000, -0.0004927500000000 ] - [ 0.0000624200000000, -0.0001029800000000, -0.0008165100000000 ] - [ -0.0003096500000000, -0.0007671900000000, -0.0012130500000000 ] - [ 0.0004992100000000, 0.0000000000000000, -0.0003917600000000 ] - [ -0.0003096500000000, 0.0007671900000000, -0.0012130500000000 ] - [ 0.0057993800000000, 0.0001015400000000, -0.0021696900000000 ] - [ -0.0001401900000000, 0.0000000000000000, -0.0003465500000000 ] - [ 0.0057993800000000, -0.0001015400000000, -0.0021696900000000 ] - [ 0.0010543800000000, -0.0006082800000000, 0.0022767800000000 ] - [ -0.0001598200000000, 0.0000000000000000, -0.0002331000000000 ] - [ 0.0010543800000000, 0.0006082800000000, 0.0022767800000000 ] - [ -0.0448595900000000, 0.0000000000000000, -0.0387590400000000 ] - [ -0.0008705900000000, 0.0038822600000000, -0.0009031500000000 ] - [ -0.0008705900000000, -0.0038822600000000, -0.0009031500000000 ] - [ 0.0005993300000000, 0.0000000000000000, -0.0029075400000000 ] - [ -0.0002581300000000, 0.0004874100000000, -0.0003916600000000 ] - [ -0.0002581300000000, -0.0004874100000000, -0.0003916600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0023803500000000, -0.0015786000000000, 0.0014308200000000 ] - [ -0.0000562100000000, -0.0010407500000000, 0.0000351600000000 ] - [ -0.0025882500000000, -0.0021576400000000, -0.0013592200000000 ] - [ -0.0002519400000000, 0.0001263800000000, -0.0001160400000000 ] - [ -0.0000566700000000, -0.0002485500000000, 0.0000330000000000 ] - [ 0.0001399600000000, 0.0001253100000000, 0.0001810900000000 ] - [ 0.0004624600000000, -0.0000428600000000, 0.0004346400000000 ] - [ -0.0004461800000000, -0.0003279100000000, 0.0000002600000000 ] - [ -0.0013556900000000, -0.0000446200000000, -0.0004344500000000 ] - [ -0.0003044900000000, 0.0000992600000000, -0.0000155600000000 ] - [ -0.0004454300000000, -0.0002116400000000, -0.0000012900000000 ] - [ -0.0005879400000000, 0.0000986200000000, 0.0000142800000000 ] - [ 0.0002697400000000, 0.0067194900000000, -0.0000076800000000 ] - [ 0.0005638300000000, -0.0008662900000000, -0.0000922300000000 ] - [ -0.0000036200000000, -0.0008682200000000, 0.0000726600000000 ] - [ 0.0002770300000000, 0.0004605200000000, -0.0000101200000000 ] - [ 0.0002405600000000, -0.0002520300000000, 0.0001032200000000 ] - [ 0.0003162600000000, -0.0002522800000000, -0.0001182700000000 ] - [ -0.0005124500000000, -0.0000421100000000, 0.0012907600000000 ] - [ -0.0000544500000000, -0.0004213600000000, 0.0000318500000000 ] - [ 0.0004011900000000, -0.0000455700000000, -0.0012233200000000 ] - [ 0.0009439400000000, 0.0000846300000000, -0.0015025400000000 ] - [ -0.0000539000000000, -0.0008305700000000, 0.0000327700000000 ] - [ -0.0010511500000000, 0.0000750600000000, 0.0015590500000000 ] - [ -0.0002898200000000, 0.0037358400000000, -0.0004436800000000 ] - [ -0.0002892300000000, -0.0007781700000000, 0.0000257500000000 ] - [ -0.0003003400000000, -0.0007780000000000, -0.0009772000000000 ] - [ -0.0003025000000000, 0.0004401400000000, -0.0004766600000000 ] - [ -0.0000612800000000, -0.0002561300000000, -0.0007584000000000 ] - [ -0.0005327100000000, -0.0002564500000000, -0.0002026900000000 ] - [ -0.0000524300000000, 0.0005265200000000, 0.0000286300000000 ] - [ -0.0002579800000000, -0.0002884300000000, 0.0002425300000000 ] - [ 0.0001422900000000, -0.0002882100000000, -0.0001716200000000 ] - [ -0.0000539500000000, 0.0002094100000000, 0.0000307900000000 ] - [ -0.0001194600000000, -0.0000909200000000, -0.0002650400000000 ] - [ 0.0000025700000000, -0.0000893900000000, 0.0003319900000000 ] - [ -0.0004270300000000, 0.0067806900000000, -0.0000107700000000 ] - [ -0.0008253800000000, -0.0006569300000000, 0.0004541800000000 ] - [ -0.0000693600000000, -0.0006531500000000, -0.0004495000000000 ] - [ -0.0004424700000000, 0.0003513900000000, 0.0000022100000000 ] - [ -0.0003195500000000, -0.0002145800000000, -0.0004338400000000 ] - [ -0.0005691100000000, -0.0002148100000000, 0.0004329000000000 ] - [ -0.0012448000000000, 0.0003504100000000, -0.0001748500000000 ] - [ 0.0002758600000000, -0.0008373800000000, -0.0000108600000000 ] - [ 0.0017952600000000, 0.0003401200000000, 0.0001563000000000 ] - [ 0.0003511600000000, 0.0001385200000000, 0.0000880500000000 ] - [ 0.0002768000000000, -0.0002752400000000, -0.0000099500000000 ] - [ 0.0002076400000000, 0.0001339900000000, -0.0001056100000000 ] - [ -0.0000578100000000, 0.0005487400000000, 0.0000324200000000 ] - [ 0.0000223700000000, -0.0002719200000000, 0.0000823900000000 ] - [ -0.0001354500000000, -0.0002737700000000, -0.0000213700000000 ] - [ -0.0000567700000000, 0.0004144700000000, 0.0000353200000000 ] - [ -0.0003514000000000, -0.0002535400000000, -0.0001380400000000 ] - [ 0.0002368500000000, -0.0002545800000000, 0.0001986100000000 ] - [ -0.0002405500000000, 0.0001266500000000, -0.0002712700000000 ] - [ -0.0002954500000000, -0.0002882000000000, -0.0004793300000000 ] - [ -0.0003546600000000, 0.0001279000000000, -0.0006852800000000 ] - [ -0.0010771400000000, 0.0004428000000000, -0.0014813400000000 ] - [ -0.0002971600000000, -0.0007687500000000, -0.0004807300000000 ] - [ 0.0004810600000000, 0.0004408000000000, 0.0005220800000000 ] - [ -0.0083311700000000, 0.0026294300000000, 0.0034429100000000 ] - [ -0.0010724500000000, 0.0010450000000000, 0.0002906900000000 ] - [ 0.0061512400000000, 0.0026380500000000, -0.0028428500000000 ] - [ -0.0006994900000000, -0.0003056100000000, -0.0003739900000000 ] - [ -0.0010670600000000, 0.0005158400000000, 0.0002873800000000 ] - [ -0.0014411900000000, -0.0003072300000000, 0.0009587100000000 ] - [ 0.0001840100000000, -0.0031024900000000, 0.0007809300000000 ] - [ -0.0002382200000000, 0.0019964600000000, 0.0010608600000000 ] - [ 0.0005954500000000, 0.0019950300000000, 0.0005015700000000 ] - [ 0.0001797100000000, -0.0027729300000000, 0.0007850100000000 ] - [ -0.0000055400000000, 0.0017556300000000, 0.0003682600000000 ] - [ 0.0003694100000000, 0.0017609900000000, 0.0011950000000000 ] - [ 0.0008719000000000, -0.0417060100000000, 0.0005272700000000 ] - [ 0.0006975300000000, 0.0026601200000000, 0.0005180300000000 ] - [ 0.0006343100000000, 0.0026393400000000, 0.0003273100000000 ] - [ 0.0006666300000000, -0.0004366800000000, 0.0004188500000000 ] - [ 0.0006846600000000, 0.0002535400000000, 0.0006211500000000 ] - [ 0.0006449700000000, 0.0002490300000000, 0.0002291600000000 ] - [ -0.0036240400000000, 0.0021937700000000, -0.0070977000000000 ] - [ -0.0001601600000000, 0.0008546000000000, -0.0002504200000000 ] - [ 0.0033003100000000, 0.0022032200000000, 0.0065855600000000 ] - [ -0.0001860100000000, -0.0004479300000000, 0.0006920000000000 ] - [ -0.0001583400000000, 0.0007607000000000, -0.0002439300000000 ] - [ -0.0001274800000000, -0.0004389400000000, -0.0011883900000000 ] - [ 0.0011097400000000, -0.0027450000000000, -0.0004953500000000 ] - [ 0.0015452200000000, 0.0005378700000000, -0.0010785900000000 ] - [ 0.0006817500000000, 0.0005412000000000, 0.0000526500000000 ] - [ 0.0011019700000000, -0.0042495900000000, -0.0005289400000000 ] - [ 0.0005278500000000, 0.0012980900000000, 0.0000252100000000 ] - [ 0.0017029200000000, 0.0013002900000000, -0.0010456300000000 ] - [ -0.0010816900000000, -0.0051884200000000, 0.0002768800000000 ] - [ -0.0002600700000000, 0.0012712600000000, 0.0001544200000000 ] - [ -0.0018789800000000, 0.0012757200000000, 0.0004302900000000 ] - [ -0.0010730300000000, -0.0004309900000000, 0.0002943200000000 ] - [ -0.0012274300000000, 0.0002040100000000, 0.0004726100000000 ] - [ -0.0009170400000000, 0.0002121300000000, 0.0001088000000000 ] - [ 0.0044617600000000, 0.0068023000000000, 0.0096465800000000 ] - [ 0.0001792900000000, 0.0033338100000000, 0.0007821400000000 ] - [ -0.0040513100000000, 0.0067208900000000, -0.0079753800000000 ] - [ 0.0002065100000000, -0.0006818600000000, 0.0006355700000000 ] - [ 0.0001792500000000, 0.0012108900000000, 0.0007820700000000 ] - [ 0.0001522700000000, -0.0006710600000000, 0.0009237100000000 ] - [ -0.0002695700000000, -0.0004941900000000, 0.0000576500000000 ] - [ 0.0006661600000000, 0.0007899500000000, 0.0004158000000000 ] - [ 0.0015955000000000, -0.0004916500000000, 0.0007924200000000 ] - [ 0.0007328100000000, -0.0003449600000000, 0.0006563200000000 ] - [ 0.0006674200000000, 0.0007433700000000, 0.0004207200000000 ] - [ 0.0005984500000000, -0.0003476900000000, 0.0001953100000000 ] - [ -0.0001633100000000, -0.0007552200000000, -0.0002527800000000 ] - [ -0.0000571700000000, 0.0003368500000000, -0.0005860900000000 ] - [ -0.0002620400000000, 0.0003271700000000, 0.0000843600000000 ] - [ -0.0001729300000000, -0.0014667300000000, -0.0002756500000000 ] - [ 0.0004710600000000, 0.0015721200000000, 0.0007875800000000 ] - [ -0.0007807600000000, 0.0015628800000000, -0.0012754200000000 ] - [ 0.0001155300000000, -0.0002955800000000, -0.0008921600000000 ] - [ 0.0011136500000000, 0.0005079300000000, -0.0005071500000000 ] - [ 0.0021227700000000, -0.0002888300000000, -0.0001372100000000 ] - [ 0.0017677900000000, -0.0005055900000000, -0.0005312800000000 ] - [ 0.0011160700000000, 0.0009324100000000, -0.0005073200000000 ] - [ 0.0004668700000000, -0.0005003700000000, -0.0004978400000000 ] - [ 0.0027436300000000, 0.0017143200000000, -0.0021694400000000 ] - [ -0.0001527000000000, -0.0028643300000000, -0.0003119300000000 ] - [ -0.0030545200000000, 0.0016984200000000, 0.0015466100000000 ] - [ 0.0011068900000000, 0.0013305600000000, 0.0025791100000000 ] - [ -0.0001556800000000, -0.0022188400000000, -0.0003073800000000 ] - [ -0.0014265900000000, 0.0013265600000000, -0.0032142300000000 ] - [ -0.0002566600000000, 0.0212168700000000, -0.0005189400000000 ] - [ -0.0003806800000000, -0.0083401600000000, -0.0007874800000000 ] - [ 0.0000738800000000, -0.0083225500000000, 0.0001563100000000 ] - [ -0.0001478200000000, 0.0011127900000000, -0.0003094000000000 ] - [ -0.0004392900000000, -0.0005904400000000, -0.0000026200000000 ] - [ 0.0001382300000000, -0.0005976400000000, -0.0006175100000000 ]- atom: 73 displacement: [ -0.0033530628758559, 0.0000000000000000, 0.0094210917281681 ] forces: - [ -0.0025824600000000, 0.0025862600000000, 0.0063928200000000 ] - [ 0.0000082300000000, 0.0000000000000000, 0.0004752200000000 ] - [ -0.0025824600000000, -0.0025862600000000, 0.0063928200000000 ] - [ 0.0002310000000000, 0.0000692800000000, -0.0011211600000000 ] - [ -0.0000042000000000, 0.0000000000000000, -0.0003769900000000 ] - [ 0.0002310000000000, -0.0000692800000000, -0.0011211600000000 ] - [ -0.0013087200000000, 0.0004852300000000, 0.0014229800000000 ] - [ -0.0005379700000000, 0.0000000000000000, 0.0004908700000000 ] - [ -0.0013087200000000, -0.0004852300000000, 0.0014229800000000 ] - [ -0.0003066600000000, 0.0000149700000000, -0.0009110600000000 ] - [ -0.0003977000000000, 0.0000000000000000, -0.0005005800000000 ] - [ -0.0003066600000000, -0.0000149700000000, -0.0009110600000000 ] - [ 0.0000893400000000, 0.0000000000000000, 0.0076942700000000 ] - [ 0.0002618700000000, -0.0003170600000000, 0.0002839200000000 ] - [ 0.0002618700000000, 0.0003170600000000, 0.0002839200000000 ] - [ 0.0000018400000000, 0.0000000000000000, -0.0014121000000000 ] - [ 0.0004289700000000, 0.0002706100000000, -0.0002588000000000 ] - [ 0.0004289700000000, -0.0002706100000000, -0.0002588000000000 ] - [ 0.0002663200000000, 0.0017916600000000, -0.0014869200000000 ] - [ -0.0000435700000000, 0.0000000000000000, 0.0001143300000000 ] - [ 0.0002663200000000, -0.0017916600000000, -0.0014869200000000 ] - [ 0.0007972000000000, -0.0025876300000000, -0.0003732100000000 ] - [ 0.0000481400000000, 0.0000000000000000, 0.0000188900000000 ] - [ 0.0007972000000000, 0.0025876300000000, -0.0003732100000000 ] - [ 0.0013524000000000, 0.0000000000000000, 0.0114942600000000 ] - [ -0.0000780900000000, 0.0007809500000000, 0.0001958900000000 ] - [ -0.0000780900000000, -0.0007809500000000, 0.0001958900000000 ] - [ 0.0026978200000000, 0.0000000000000000, -0.0026754700000000 ] - [ -0.0001823700000000, -0.0001888100000000, -0.0010381500000000 ] - [ -0.0001823700000000, 0.0001888100000000, -0.0010381500000000 ] - [ -0.0000738400000000, 0.0000000000000000, 0.0015172800000000 ] - [ -0.0001416800000000, -0.0000034000000000, 0.0005897800000000 ] - [ -0.0001416800000000, 0.0000034000000000, 0.0005897800000000 ] - [ -0.0003400400000000, 0.0000000000000000, -0.0008806800000000 ] - [ -0.0002327500000000, 0.0000906000000000, -0.0007072800000000 ] - [ -0.0002327500000000, -0.0000906000000000, -0.0007072800000000 ] - [ 0.0079788300000000, 0.0000000000000000, 0.0011013300000000 ] - [ -0.0003712100000000, 0.0004208000000000, 0.0007180300000000 ] - [ -0.0003712100000000, -0.0004208000000000, 0.0007180300000000 ] - [ -0.0015518200000000, 0.0000000000000000, -0.0031286200000000 ] - [ -0.0002869200000000, -0.0001337600000000, -0.0007392500000000 ] - [ -0.0002869200000000, 0.0001337600000000, -0.0007392500000000 ] - [ 0.0000921700000000, 0.0002233000000000, 0.0008276500000000 ] - [ 0.0002106700000000, 0.0000000000000000, 0.0000678500000000 ] - [ 0.0000921700000000, -0.0002233000000000, 0.0008276500000000 ] - [ 0.0002872200000000, 0.0000488800000000, -0.0005265000000000 ] - [ 0.0002413100000000, 0.0000000000000000, -0.0001647500000000 ] - [ 0.0002872200000000, -0.0000488800000000, -0.0005265000000000 ] - [ -0.0002318800000000, 0.0000000000000000, -0.0001942100000000 ] - [ -0.0002327100000000, 0.0002580600000000, 0.0000676900000000 ] - [ -0.0002327100000000, -0.0002580600000000, 0.0000676900000000 ] - [ -0.0001751100000000, 0.0000000000000000, -0.0001102400000000 ] - [ -0.0002367100000000, -0.0000954800000000, -0.0000770700000000 ] - [ -0.0002367100000000, 0.0000954800000000, -0.0000770700000000 ] - [ -0.0000941200000000, 0.0004457300000000, 0.0002548900000000 ] - [ -0.0003038100000000, 0.0000000000000000, -0.0000911200000000 ] - [ -0.0000941200000000, -0.0004457300000000, 0.0002548900000000 ] - [ -0.0009397800000000, -0.0001106200000000, -0.0015596900000000 ] - [ -0.0004405700000000, 0.0000000000000000, -0.0008865500000000 ] - [ -0.0009397800000000, 0.0001106200000000, -0.0015596900000000 ] - [ -0.0044961700000000, 0.0030453300000000, -0.0008262600000000 ] - [ -0.0010964400000000, 0.0000000000000000, -0.0000363700000000 ] - [ -0.0044961700000000, -0.0030453300000000, -0.0008262600000000 ] - [ -0.0013156700000000, -0.0005704300000000, 0.0020166100000000 ] - [ -0.0012556700000000, 0.0000000000000000, 0.0006551100000000 ] - [ -0.0013156700000000, 0.0005704300000000, 0.0020166100000000 ] - [ -0.0014685300000000, 0.0000000000000000, 0.0006786600000000 ] - [ -0.0000407900000000, 0.0007594200000000, 0.0007906500000000 ] - [ -0.0000407900000000, -0.0007594200000000, 0.0007906500000000 ] - [ 0.0012678700000000, 0.0000000000000000, 0.0024520200000000 ] - [ 0.0004657400000000, -0.0019220100000000, 0.0013515300000000 ] - [ 0.0004657400000000, 0.0019220100000000, 0.0013515300000000 ] - [ -0.0286517300000000, 0.0000000000000000, -0.1370581800000000 ] - [ 0.0002809700000000, -0.0000822400000000, -0.0013968700000000 ] - [ 0.0002809700000000, 0.0000822400000000, -0.0013968700000000 ] - [ -0.0001488000000000, 0.0000000000000000, 0.0063629700000000 ] - [ 0.0007000800000000, -0.0001729200000000, 0.0014875500000000 ] - [ 0.0007000800000000, 0.0001729200000000, 0.0014875500000000 ] - [ 0.0038330400000000, -0.0052809200000000, 0.0047529800000000 ] - [ -0.0003540100000000, 0.0000000000000000, -0.0010789500000000 ] - [ 0.0038330400000000, 0.0052809200000000, 0.0047529800000000 ] - [ -0.0012585500000000, 0.0009042400000000, 0.0009710900000000 ] - [ -0.0001898500000000, 0.0000000000000000, 0.0003990000000000 ] - [ -0.0012585500000000, -0.0009042400000000, 0.0009710900000000 ] - [ -0.0071446200000000, 0.0000000000000000, 0.0130302600000000 ] - [ 0.0007256700000000, -0.0007613500000000, -0.0004674700000000 ] - [ 0.0007256700000000, 0.0007613500000000, -0.0004674700000000 ] - [ -0.0011611400000000, 0.0000000000000000, 0.0128111800000000 ] - [ 0.0007701600000000, 0.0008241600000000, -0.0002571200000000 ] - [ 0.0007701600000000, -0.0008241600000000, -0.0002571200000000 ] - [ -0.0024847500000000, 0.0000000000000000, -0.0069390800000000 ] - [ -0.0005659600000000, 0.0005250200000000, -0.0005192800000000 ] - [ -0.0005659600000000, -0.0005250200000000, -0.0005192800000000 ] - [ -0.0007820800000000, 0.0000000000000000, 0.0014598100000000 ] - [ -0.0011819700000000, -0.0003021400000000, 0.0008343300000000 ] - [ -0.0011819700000000, 0.0003021400000000, 0.0008343300000000 ] - [ 0.0030878300000000, 0.0072949800000000, 0.0005452000000000 ] - [ 0.0001693000000000, 0.0000000000000000, 0.0005854400000000 ] - [ 0.0030878300000000, -0.0072949800000000, 0.0005452000000000 ] - [ -0.0005459900000000, -0.0020795900000000, 0.0015746100000000 ] - [ 0.0000780200000000, 0.0000000000000000, 0.0008946300000000 ] - [ -0.0005459900000000, 0.0020795900000000, 0.0015746100000000 ] - [ 0.0000928300000000, 0.0000322500000000, -0.0010646900000000 ] - [ 0.0006910100000000, 0.0000000000000000, -0.0002926700000000 ] - [ 0.0000928300000000, -0.0000322500000000, -0.0010646900000000 ] - [ 0.0011578600000000, -0.0001912300000000, 0.0017572800000000 ] - [ 0.0010959600000000, 0.0000000000000000, 0.0016222200000000 ] - [ 0.0011578600000000, 0.0001912300000000, 0.0017572800000000 ] - [ -0.0028438300000000, 0.0000000000000000, -0.0010525000000000 ] - [ -0.0003531000000000, -0.0003465300000000, -0.0010406300000000 ] - [ -0.0003531000000000, 0.0003465300000000, -0.0010406300000000 ] - [ 0.0030502200000000, 0.0000000000000000, 0.0034097000000000 ] - [ 0.0003678500000000, 0.0007598800000000, 0.0010575900000000 ] - [ 0.0003678500000000, -0.0007598800000000, 0.0010575900000000 ] - [ 0.0023578200000000, -0.0003263200000000, -0.0004515200000000 ] - [ 0.0013279400000000, 0.0000000000000000, -0.0007633100000000 ] - [ 0.0023578200000000, 0.0003263200000000, -0.0004515200000000 ] - [ 0.0012854700000000, 0.0001001100000000, -0.0003983600000000 ] - [ 0.0012250900000000, 0.0000000000000000, -0.0003118000000000 ] - [ 0.0012854700000000, -0.0001001100000000, -0.0003983600000000 ] - [ 0.0019551600000000, -0.0011575900000000, -0.0002068800000000 ] - [ -0.0002366300000000, 0.0000000000000000, -0.0002055700000000 ] - [ 0.0019551600000000, 0.0011575900000000, -0.0002068800000000 ] - [ -0.0023445800000000, 0.0013994100000000, -0.0044193900000000 ] - [ -0.0002089700000000, 0.0000000000000000, -0.0003466000000000 ] - [ -0.0023445800000000, -0.0013994100000000, -0.0044193900000000 ] - [ 0.0232119400000000, 0.0000000000000000, 0.0804909100000000 ] - [ 0.0002205000000000, -0.0048227900000000, 0.0008491800000000 ] - [ 0.0002205000000000, 0.0048227900000000, 0.0008491800000000 ] - [ 0.0058870600000000, 0.0000000000000000, -0.0055854200000000 ] - [ 0.0001784900000000, 0.0015204500000000, -0.0007619000000000 ] - [ 0.0001784900000000, -0.0015204500000000, -0.0007619000000000 ]- atom: 73 displacement: [ 0.0033530628758559, 0.0000000000000000, -0.0094210917281681 ] forces: - [ 0.0024610100000000, -0.0025310800000000, -0.0063330600000000 ] - [ -0.0001293300000000, 0.0000000000000000, -0.0004022500000000 ] - [ 0.0024610100000000, 0.0025310800000000, -0.0063330600000000 ] - [ -0.0003471600000000, -0.0000751100000000, 0.0011949300000000 ] - [ -0.0001137000000000, 0.0000000000000000, 0.0004543300000000 ] - [ -0.0003471600000000, 0.0000751100000000, 0.0011949300000000 ] - [ 0.0004101100000000, -0.0004782700000000, -0.0014310900000000 ] - [ -0.0003530700000000, 0.0000000000000000, -0.0004926800000000 ] - [ 0.0004101100000000, 0.0004782700000000, -0.0014310900000000 ] - [ -0.0005841500000000, -0.0000157700000000, 0.0009134400000000 ] - [ -0.0004941400000000, 0.0000000000000000, 0.0005018100000000 ] - [ -0.0005841500000000, 0.0000157700000000, 0.0009134400000000 ] - [ 0.0000763800000000, 0.0000000000000000, -0.0074127700000000 ] - [ 0.0002957700000000, 0.0003220700000000, -0.0002970100000000 ] - [ 0.0002957700000000, -0.0003220700000000, -0.0002970100000000 ] - [ 0.0005579300000000, 0.0000000000000000, 0.0013979600000000 ] - [ 0.0001285600000000, -0.0002710600000000, 0.0002457900000000 ] - [ 0.0001285600000000, 0.0002710600000000, 0.0002457900000000 ] - [ -0.0003752000000000, -0.0018002600000000, 0.0015518400000000 ] - [ -0.0000705100000000, 0.0000000000000000, -0.0000562600000000 ] - [ -0.0003752000000000, 0.0018002600000000, 0.0015518400000000 ] - [ -0.0009079400000000, 0.0025649100000000, 0.0004423900000000 ] - [ -0.0001603400000000, 0.0000000000000000, 0.0000403800000000 ] - [ -0.0009079400000000, -0.0025649100000000, 0.0004423900000000 ] - [ -0.0023420200000000, 0.0000000000000000, -0.0133843900000000 ] - [ -0.0005076200000000, -0.0007788200000000, -0.0011637100000000 ] - [ -0.0005076200000000, 0.0007788200000000, -0.0011637100000000 ] - [ -0.0032595500000000, 0.0000000000000000, 0.0017086800000000 ] - [ -0.0004065300000000, 0.0001878000000000, 0.0000759000000000 ] - [ -0.0004065300000000, -0.0001878000000000, 0.0000759000000000 ] - [ -0.0000392400000000, 0.0000000000000000, -0.0014594700000000 ] - [ 0.0000228800000000, 0.0000049900000000, -0.0005177000000000 ] - [ 0.0000228800000000, -0.0000049900000000, -0.0005177000000000 ] - [ 0.0002172000000000, 0.0000000000000000, 0.0009515500000000 ] - [ 0.0001123300000000, -0.0000910300000000, 0.0007842500000000 ] - [ 0.0001123300000000, 0.0000910300000000, 0.0007842500000000 ] - [ -0.0086290800000000, 0.0000000000000000, -0.0012705800000000 ] - [ -0.0005195900000000, -0.0004208900000000, -0.0007208500000000 ] - [ -0.0005195900000000, 0.0004208900000000, -0.0007208500000000 ] - [ 0.0006477600000000, 0.0000000000000000, 0.0031131700000000 ] - [ -0.0006050800000000, 0.0001323800000000, 0.0007415100000000 ] - [ -0.0006050800000000, -0.0001323800000000, 0.0007415100000000 ] - [ 0.0004688300000000, -0.0002113700000000, -0.0008398100000000 ] - [ 0.0003465900000000, 0.0000000000000000, -0.0000819000000000 ] - [ 0.0004688300000000, 0.0002113700000000, -0.0008398100000000 ] - [ 0.0002665000000000, -0.0000508400000000, 0.0005119500000000 ] - [ 0.0003164600000000, 0.0000000000000000, 0.0001512400000000 ] - [ 0.0002665000000000, 0.0000508400000000, 0.0005119500000000 ] - [ 0.0001156300000000, 0.0000000000000000, 0.0002480700000000 ] - [ 0.0001207400000000, -0.0002565200000000, -0.0000092800000000 ] - [ 0.0001207400000000, 0.0002565200000000, -0.0000092800000000 ] - [ 0.0000609000000000, 0.0000000000000000, 0.0001830700000000 ] - [ 0.0001249200000000, 0.0000959800000000, 0.0001365400000000 ] - [ 0.0001249200000000, -0.0000959800000000, 0.0001365400000000 ] - [ -0.0004946100000000, -0.0004474900000000, -0.0012233700000000 ] - [ -0.0002830000000000, 0.0000000000000000, -0.0008756500000000 ] - [ -0.0004946100000000, 0.0004474900000000, -0.0012233700000000 ] - [ 0.0003514700000000, 0.0001054800000000, 0.0006007000000000 ] - [ -0.0001469600000000, 0.0000000000000000, -0.0000771900000000 ] - [ 0.0003514700000000, -0.0001054800000000, 0.0006007000000000 ] - [ 0.0023803800000000, -0.0030589900000000, 0.0013712000000000 ] - [ -0.0010472900000000, 0.0000000000000000, 0.0006204600000000 ] - [ 0.0023803800000000, 0.0030589900000000, 0.0013712000000000 ] - [ -0.0008273900000000, 0.0005724600000000, -0.0014358900000000 ] - [ -0.0008796900000000, 0.0000000000000000, -0.0000778600000000 ] - [ -0.0008273900000000, -0.0005724600000000, -0.0014358900000000 ] - [ 0.0018153000000000, 0.0000000000000000, 0.0008738800000000 ] - [ 0.0004043100000000, -0.0007646600000000, 0.0007686900000000 ] - [ 0.0004043100000000, 0.0007646600000000, 0.0007686900000000 ] - [ -0.0009124400000000, 0.0000000000000000, -0.0008910900000000 ] - [ -0.0001040500000000, 0.0019293900000000, 0.0002108000000000 ] - [ -0.0001040500000000, -0.0019293900000000, 0.0002108000000000 ] - [ 0.0288826200000000, 0.0000000000000000, 0.1363027900000000 ] - [ 0.0010482500000000, 0.0000734200000000, 0.0022415600000000 ] - [ 0.0010482500000000, -0.0000734200000000, 0.0022415600000000 ] - [ 0.0014755700000000, 0.0000000000000000, -0.0055209500000000 ] - [ 0.0006319100000000, 0.0001778700000000, -0.0006425200000000 ] - [ 0.0006319100000000, -0.0001778700000000, -0.0006425200000000 ] - [ -0.0041670300000000, 0.0052937900000000, -0.0052390500000000 ] - [ 0.0000337300000000, 0.0000000000000000, 0.0005802400000000 ] - [ -0.0041670300000000, -0.0052937900000000, -0.0052390500000000 ] - [ 0.0009255300000000, -0.0008929000000000, -0.0014870100000000 ] - [ -0.0001304600000000, 0.0000000000000000, -0.0008985300000000 ] - [ 0.0009255300000000, 0.0008929000000000, -0.0014870100000000 ] - [ 0.0094295200000000, 0.0000000000000000, -0.0141534300000000 ] - [ 0.0014997000000000, 0.0007632700000000, -0.0005511700000000 ] - [ 0.0014997000000000, -0.0007632700000000, -0.0005511700000000 ] - [ 0.0032701000000000, 0.0000000000000000, -0.0135440600000000 ] - [ 0.0014612000000000, -0.0008263800000000, -0.0007683200000000 ] - [ 0.0014612000000000, 0.0008263800000000, -0.0007683200000000 ] - [ 0.0002901100000000, 0.0000000000000000, 0.0074456000000000 ] - [ -0.0015751800000000, -0.0005263000000000, 0.0011004600000000 ] - [ -0.0015751800000000, 0.0005263000000000, 0.0011004600000000 ] - [ -0.0013522200000000, 0.0000000000000000, -0.0008693900000000 ] - [ -0.0009563200000000, 0.0003018500000000, -0.0002564600000000 ] - [ -0.0009563200000000, -0.0003018500000000, -0.0002564600000000 ] - [ -0.0027103800000000, -0.0072319800000000, 0.0009743900000000 ] - [ 0.0001915900000000, 0.0000000000000000, 0.0009766300000000 ] - [ -0.0027103800000000, 0.0072319800000000, 0.0009743900000000 ] - [ 0.0009104500000000, 0.0021009700000000, -0.0000115700000000 ] - [ 0.0002811000000000, 0.0000000000000000, 0.0006686100000000 ] - [ 0.0009104500000000, -0.0021009700000000, -0.0000115700000000 ] - [ 0.0012414900000000, -0.0000353700000000, 0.0019202900000000 ] - [ 0.0006416400000000, 0.0000000000000000, 0.0011400900000000 ] - [ 0.0012414900000000, 0.0000353700000000, 0.0019202900000000 ] - [ 0.0001760300000000, 0.0001943000000000, -0.0009110300000000 ] - [ 0.0002387000000000, 0.0000000000000000, -0.0007796700000000 ] - [ 0.0001760300000000, -0.0001943000000000, -0.0009110300000000 ] - [ 0.0025399100000000, 0.0000000000000000, 0.0005624700000000 ] - [ 0.0000324500000000, 0.0003506700000000, 0.0005445200000000 ] - [ 0.0000324500000000, -0.0003506700000000, 0.0005445200000000 ] - [ -0.0033770900000000, 0.0000000000000000, -0.0039614800000000 ] - [ -0.0006881800000000, -0.0007604500000000, -0.0015569400000000 ] - [ -0.0006881800000000, 0.0007604500000000, -0.0015569400000000 ] - [ -0.0001286500000000, 0.0003220900000000, -0.0005667100000000 ] - [ 0.0008986400000000, 0.0000000000000000, -0.0002542700000000 ] - [ -0.0001286500000000, -0.0003220900000000, -0.0005667100000000 ] - [ 0.0009405600000000, -0.0001041000000000, -0.0006329700000000 ] - [ 0.0010079100000000, 0.0000000000000000, -0.0007130200000000 ] - [ 0.0009405600000000, 0.0001041000000000, -0.0006329700000000 ] - [ -0.0022705700000000, 0.0011529500000000, -0.0003906600000000 ] - [ -0.0000704600000000, 0.0000000000000000, -0.0004177400000000 ] - [ -0.0022705700000000, -0.0011529500000000, -0.0003906600000000 ] - [ 0.0020354500000000, -0.0014026600000000, 0.0037902300000000 ] - [ -0.0001007700000000, 0.0000000000000000, -0.0002735300000000 ] - [ 0.0020354500000000, 0.0014026600000000, 0.0037902300000000 ] - [ -0.0217719600000000, 0.0000000000000000, -0.0786152300000000 ] - [ -0.0005221400000000, 0.0048271700000000, -0.0014696500000000 ] - [ -0.0005221400000000, -0.0048271700000000, -0.0014696500000000 ] - [ -0.0062130200000000, 0.0000000000000000, 0.0049536300000000 ] - [ -0.0004825600000000, -0.0015330200000000, 0.0001388200000000 ] - [ -0.0004825600000000, 0.0015330200000000, 0.0001388200000000 ]- atom: 79 displacement: [ 0.0099999834948202, 0.0000000000000000, 0.0000181687457952 ] forces: - [ 0.0049927900000000, 0.0000000000000000, 0.0021215400000000 ] - [ 0.0002998700000000, -0.0004927000000000, 0.0002845000000000 ] - [ 0.0002998700000000, 0.0004927000000000, 0.0002845000000000 ] - [ 0.0000119400000000, 0.0000000000000000, 0.0003387100000000 ] - [ 0.0002260100000000, -0.0002073800000000, 0.0000693300000000 ] - [ 0.0002260100000000, 0.0002073800000000, 0.0000693300000000 ] - [ -0.0015731000000000, 0.0000000000000000, 0.0057652900000000 ] - [ -0.0004281300000000, 0.0003377500000000, 0.0003098900000000 ] - [ -0.0004281300000000, -0.0003377500000000, 0.0003098900000000 ] - [ 0.0000667300000000, 0.0000000000000000, 0.0000586400000000 ] - [ -0.0002909100000000, 0.0000448200000000, -0.0002507500000000 ] - [ -0.0002909100000000, -0.0000448200000000, -0.0002507500000000 ] - [ 0.0011590000000000, -0.0004435200000000, 0.0003575700000000 ] - [ 0.0011590000000000, 0.0004435200000000, 0.0003575700000000 ] - [ 0.0003614200000000, 0.0000000000000000, 0.0000490100000000 ] - [ 0.0013336800000000, 0.0008243100000000, 0.0010111500000000 ] - [ 0.0013336800000000, -0.0008243100000000, 0.0010111500000000 ] - [ 0.0004669800000000, 0.0000000000000000, 0.0000637600000000 ] - [ 0.0003796300000000, 0.0000000000000000, 0.0026598400000000 ] - [ 0.0004662200000000, -0.0007869100000000, 0.0002402200000000 ] - [ 0.0004662200000000, 0.0007869100000000, 0.0002402200000000 ] - [ 0.0004756400000000, 0.0000000000000000, 0.0002012300000000 ] - [ 0.0001055000000000, -0.0001217200000000, 0.0000068500000000 ] - [ 0.0001055000000000, 0.0001217200000000, 0.0000068500000000 ] - [ 0.0053746200000000, 0.0034730700000000, -0.0004838200000000 ] - [ 0.0053746200000000, -0.0034730700000000, -0.0004838200000000 ] - [ -0.0000934100000000, 0.0000000000000000, -0.0003670900000000 ] - [ -0.0000032100000000, -0.0000157500000000, -0.0002654100000000 ] - [ -0.0000032100000000, 0.0000157500000000, -0.0002654100000000 ] - [ -0.0002011200000000, 0.0000000000000000, -0.0005021400000000 ] - [ -0.0007065800000000, -0.0003872500000000, 0.0002091200000000 ] - [ -0.0007065800000000, 0.0003872500000000, 0.0002091200000000 ] - [ -0.0001787100000000, 0.0000000000000000, 0.0000537500000000 ] - [ -0.0005287000000000, -0.0001771600000000, -0.0007258200000000 ] - [ -0.0005287000000000, 0.0001771600000000, -0.0007258200000000 ] - [ -0.0002751300000000, 0.0000000000000000, -0.0000666400000000 ] - [ -0.0019816200000000, 0.0012716700000000, -0.0006935500000000 ] - [ -0.0019816200000000, -0.0012716700000000, -0.0006935500000000 ] - [ -0.0004646900000000, 0.0000000000000000, 0.0000245600000000 ] - [ -0.0007312300000000, 0.0000247100000000, -0.0002426700000000 ] - [ -0.0007312300000000, -0.0000247100000000, -0.0002426700000000 ] - [ -0.0004832100000000, 0.0000000000000000, -0.0000504200000000 ] - [ -0.0005310300000000, 0.0000000000000000, -0.0001584800000000 ] - [ 0.0000669300000000, -0.0001268900000000, -0.0000605800000000 ] - [ 0.0000669300000000, 0.0001268900000000, -0.0000605800000000 ] - [ -0.0012440800000000, 0.0000000000000000, -0.0024574100000000 ] - [ -0.0001154700000000, 0.0001773000000000, -0.0000487600000000 ] - [ -0.0001154700000000, -0.0001773000000000, -0.0000487600000000 ] - [ -0.0013535100000000, -0.0025893800000000, -0.0004763500000000 ] - [ -0.0013535100000000, 0.0025893800000000, -0.0004763500000000 ] - [ -0.0002749500000000, 0.0000000000000000, -0.0000081300000000 ] - [ -0.0002788400000000, -0.0000679400000000, -0.0001445100000000 ] - [ -0.0002788400000000, 0.0000679400000000, -0.0001445100000000 ] - [ -0.0001260600000000, 0.0000000000000000, -0.0000634600000000 ] - [ -0.0038470300000000, 0.0000000000000000, 0.0010877000000000 ] - [ -0.0006936600000000, -0.0000026800000000, -0.0004333800000000 ] - [ -0.0006936600000000, 0.0000026800000000, -0.0004333800000000 ] - [ -0.0006881500000000, 0.0000000000000000, -0.0009157800000000 ] - [ -0.0004572900000000, -0.0000365900000000, -0.0008523000000000 ] - [ -0.0004572900000000, 0.0000365900000000, -0.0008523000000000 ] - [ -0.0020064200000000, 0.0000000000000000, -0.0042867000000000 ] - [ -0.0014654900000000, -0.0000106700000000, 0.0001742200000000 ] - [ -0.0014654900000000, 0.0000106700000000, 0.0001742200000000 ] - [ -0.0049336500000000, 0.0000000000000000, -0.0062014400000000 ] - [ -0.0021759300000000, -0.0002218100000000, 0.0002982500000000 ] - [ -0.0021759300000000, 0.0002218100000000, 0.0002982500000000 ] - [ 0.0002584100000000, 0.0006570800000000, 0.0004455500000000 ] - [ 0.0002584100000000, -0.0006570800000000, 0.0004455500000000 ] - [ 0.0001436200000000, 0.0000000000000000, 0.0007715200000000 ] - [ -0.0019289800000000, 0.0054626700000000, 0.0035149300000000 ] - [ -0.0019289800000000, -0.0054626700000000, 0.0035149300000000 ] - [ 0.0000443800000000, 0.0000000000000000, 0.0007190100000000 ] - [ 0.0006321900000000, -0.0034759000000000, 0.0046673300000000 ] - [ 0.0006321900000000, 0.0034759000000000, 0.0046673300000000 ] - [ 0.0004294900000000, 0.0000000000000000, 0.0001335300000000 ] - [ 0.0008399800000000, -0.0000258800000000, -0.0006740200000000 ] - [ 0.0008399800000000, 0.0000258800000000, -0.0006740200000000 ] - [ 0.0003485100000000, 0.0000000000000000, 0.0002791800000000 ] - [ -0.0725449200000000, 0.0000000000000000, -0.0559433500000000 ] - [ -0.0011927000000000, 0.0000296200000000, -0.0010262600000000 ] - [ -0.0011927000000000, -0.0000296200000000, -0.0010262600000000 ] - [ -0.0003097200000000, 0.0000000000000000, -0.0011559200000000 ] - [ -0.0003953100000000, 0.0000169300000000, -0.0002966200000000 ] - [ -0.0003953100000000, -0.0000169300000000, -0.0002966200000000 ] - [ 0.0075327000000000, -0.0062173200000000, -0.0044897200000000 ] - [ 0.0075327000000000, 0.0062173200000000, -0.0044897200000000 ] - [ 0.0008114800000000, 0.0000000000000000, -0.0005646900000000 ] - [ 0.0005688500000000, 0.0000833100000000, 0.0000150000000000 ] - [ 0.0005688500000000, -0.0000833100000000, 0.0000150000000000 ] - [ 0.0009631500000000, 0.0000000000000000, -0.0004537700000000 ] - [ -0.0000212000000000, -0.0001055300000000, 0.0005938700000000 ] - [ -0.0000212000000000, 0.0001055300000000, 0.0005938700000000 ] - [ -0.0008800100000000, 0.0000000000000000, 0.0002766200000000 ] - [ 0.0003550000000000, 0.0007679000000000, 0.0009921300000000 ] - [ 0.0003550000000000, -0.0007679000000000, 0.0009921300000000 ] - [ -0.0004557300000000, 0.0000000000000000, 0.0001696700000000 ] - [ 0.0004931400000000, 0.0000000000000000, 0.0019060000000000 ] - [ 0.0003648500000000, 0.0010173900000000, 0.0011576700000000 ] - [ 0.0003648500000000, -0.0010173900000000, 0.0011576700000000 ] - [ 0.0036225000000000, 0.0000000000000000, 0.0002040500000000 ] - [ 0.0009144000000000, 0.0013070900000000, 0.0004619300000000 ] - [ 0.0009144000000000, -0.0013070900000000, 0.0004619300000000 ] - [ 0.0025891900000000, 0.0000000000000000, -0.0017352900000000 ] - [ 0.0009072200000000, -0.0001016700000000, 0.0003049200000000 ] - [ 0.0009072200000000, 0.0001016700000000, 0.0003049200000000 ] - [ 0.0010571300000000, 0.0000000000000000, 0.0039907500000000 ] - [ 0.0010428300000000, -0.0006329300000000, 0.0011209200000000 ] - [ 0.0010428300000000, 0.0006329300000000, 0.0011209200000000 ] - [ 0.0027436900000000, 0.0009305900000000, 0.0001726800000000 ] - [ 0.0027436900000000, -0.0009305900000000, 0.0001726800000000 ] - [ 0.0002094300000000, 0.0000000000000000, -0.0000958400000000 ] - [ 0.0001847800000000, -0.0000650000000000, 0.0003966600000000 ] - [ 0.0001847800000000, 0.0000650000000000, 0.0003966600000000 ] - [ 0.0001718000000000, 0.0000000000000000, 0.0003244800000000 ] - [ 0.0159381100000000, 0.0000000000000000, 0.0081392700000000 ] - [ 0.0015420500000000, -0.0007151600000000, -0.0006720200000000 ] - [ 0.0015420500000000, 0.0007151600000000, -0.0006720200000000 ] - [ 0.0013511000000000, 0.0000000000000000, -0.0006800200000000 ] - [ 0.0012219300000000, -0.0000276500000000, -0.0003492700000000 ] - [ 0.0012219300000000, 0.0000276500000000, -0.0003492700000000 ] - [ -0.0009033500000000, 0.0000000000000000, 0.0022863200000000 ] - [ -0.0000482000000000, 0.0004889300000000, -0.0002307900000000 ] - [ -0.0000482000000000, -0.0004889300000000, -0.0002307900000000 ] - [ 0.0445210800000000, 0.0000000000000000, 0.0380969300000000 ] - [ 0.0005644200000000, 0.0038758000000000, 0.0002864000000000 ] - [ 0.0005644200000000, -0.0038758000000000, 0.0002864000000000 ] - [ -0.0013607400000000, 0.0006103100000000, -0.0028950600000000 ] - [ -0.0013607400000000, -0.0006103100000000, -0.0028950600000000 ] - [ -0.0001484800000000, 0.0000000000000000, -0.0003922200000000 ] - [ -0.0061072500000000, -0.0001034000000000, 0.0015488000000000 ] - [ -0.0061072500000000, 0.0001034000000000, 0.0015488000000000 ] - [ -0.0001666300000000, 0.0000000000000000, -0.0002790200000000 ]- atom: 79 displacement: [ -0.0099999834948202, 0.0000000000000000, -0.0000181687457952 ] forces: - [ -0.0051137900000000, 0.0000000000000000, -0.0019694400000000 ] - [ -0.0004163100000000, 0.0004934600000000, -0.0002050500000000 ] - [ -0.0004163100000000, -0.0004934600000000, -0.0002050500000000 ] - [ -0.0001151300000000, 0.0000000000000000, -0.0002610100000000 ] - [ -0.0003405300000000, 0.0002063100000000, 0.0000081400000000 ] - [ -0.0003405300000000, -0.0002063100000000, 0.0000081400000000 ] - [ 0.0002907200000000, 0.0000000000000000, -0.0056621900000000 ] - [ -0.0004660100000000, -0.0003376100000000, -0.0003089200000000 ] - [ -0.0004660100000000, 0.0003376100000000, -0.0003089200000000 ] - [ -0.0009702900000000, 0.0000000000000000, -0.0000666500000000 ] - [ -0.0006000500000000, -0.0000444100000000, 0.0002508000000000 ] - [ -0.0006000500000000, 0.0000444100000000, 0.0002508000000000 ] - [ -0.0006037400000000, 0.0004374200000000, -0.0003681400000000 ] - [ -0.0006037400000000, -0.0004374200000000, -0.0003681400000000 ] - [ 0.0001950300000000, 0.0000000000000000, -0.0000597300000000 ] - [ -0.0007678700000000, -0.0008320200000000, -0.0010227300000000 ] - [ -0.0007678700000000, 0.0008320200000000, -0.0010227300000000 ] - [ 0.0000902600000000, 0.0000000000000000, -0.0000767800000000 ] - [ 0.0000466500000000, 0.0000000000000000, -0.0029169100000000 ] - [ -0.0005732300000000, 0.0007864100000000, -0.0001824300000000 ] - [ -0.0005732300000000, -0.0007864100000000, -0.0001824300000000 ] - [ -0.0005775200000000, 0.0000000000000000, -0.0001395700000000 ] - [ -0.0002169300000000, 0.0001234800000000, 0.0000504000000000 ] - [ -0.0002169300000000, -0.0001234800000000, 0.0000504000000000 ] - [ -0.0059325300000000, -0.0035218600000000, -0.0004744400000000 ] - [ -0.0059325300000000, 0.0035218600000000, -0.0004744400000000 ] - [ -0.0004929600000000, 0.0000000000000000, -0.0006001000000000 ] - [ -0.0005831500000000, 0.0000132000000000, -0.0006985200000000 ] - [ -0.0005831500000000, -0.0000132000000000, -0.0006985200000000 ] - [ -0.0003852200000000, 0.0000000000000000, -0.0004656400000000 ] - [ 0.0005894400000000, 0.0003886300000000, -0.0001351700000000 ] - [ 0.0005894400000000, -0.0003886300000000, -0.0001351700000000 ] - [ 0.0000591100000000, 0.0000000000000000, 0.0000182300000000 ] - [ 0.0004023600000000, 0.0001821700000000, 0.0007990200000000 ] - [ 0.0004023600000000, -0.0001821700000000, 0.0007990200000000 ] - [ 0.0001574600000000, 0.0000000000000000, 0.0001444700000000 ] - [ 0.0010841900000000, -0.0012557100000000, 0.0006869600000000 ] - [ 0.0010841900000000, 0.0012557100000000, 0.0006869600000000 ] - [ -0.0004249400000000, 0.0000000000000000, -0.0000257200000000 ] - [ -0.0001584000000000, -0.0000239400000000, 0.0002458800000000 ] - [ -0.0001584000000000, 0.0000239400000000, 0.0002458800000000 ] - [ -0.0004109800000000, 0.0000000000000000, 0.0000488700000000 ] - [ 0.0010847000000000, 0.0000000000000000, 0.0001429400000000 ] - [ 0.0004900400000000, 0.0001260300000000, 0.0000478700000000 ] - [ 0.0004900400000000, -0.0001260300000000, 0.0000478700000000 ] - [ 0.0018030400000000, 0.0000000000000000, 0.0024615400000000 ] - [ 0.0006681100000000, -0.0001790300000000, 0.0000358700000000 ] - [ 0.0006681100000000, 0.0001790300000000, 0.0000358700000000 ] - [ 0.0012401000000000, 0.0026096400000000, 0.0005387600000000 ] - [ 0.0012401000000000, -0.0026096400000000, 0.0005387600000000 ] - [ 0.0001617400000000, 0.0000000000000000, 0.0000647600000000 ] - [ 0.0001666100000000, 0.0000698500000000, 0.0002020800000000 ] - [ 0.0001666100000000, -0.0000698500000000, 0.0002020800000000 ] - [ 0.0000165100000000, 0.0000000000000000, 0.0001191200000000 ] - [ 0.0032666300000000, 0.0000000000000000, -0.0020700500000000 ] - [ 0.0001064500000000, 0.0000015300000000, -0.0005327100000000 ] - [ 0.0001064500000000, -0.0000015300000000, -0.0005327100000000 ] - [ 0.0001025600000000, 0.0000000000000000, -0.0000463200000000 ] - [ -0.0001325700000000, 0.0000351000000000, -0.0001149000000000 ] - [ -0.0001325700000000, -0.0000351000000000, -0.0001149000000000 ] - [ -0.0000849900000000, 0.0000000000000000, 0.0048253100000000 ] - [ -0.0006769800000000, 0.0000072200000000, 0.0004102600000000 ] - [ -0.0006769800000000, -0.0000072200000000, 0.0004102600000000 ] - [ 0.0027956400000000, 0.0000000000000000, 0.0068030900000000 ] - [ 0.0000368700000000, 0.0002200000000000, 0.0002794300000000 ] - [ 0.0000368700000000, -0.0002200000000000, 0.0002794300000000 ] - [ 0.0001061700000000, -0.0006504700000000, 0.0011159400000000 ] - [ 0.0001061700000000, 0.0006504700000000, 0.0011159400000000 ] - [ 0.0002153600000000, 0.0000000000000000, 0.0007941700000000 ] - [ 0.0023265200000000, -0.0054786800000000, -0.0019406700000000 ] - [ 0.0023265200000000, 0.0054786800000000, -0.0019406700000000 ] - [ 0.0003176400000000, 0.0000000000000000, 0.0008417400000000 ] - [ 0.0006758600000000, 0.0034714900000000, -0.0038277900000000 ] - [ 0.0006758600000000, -0.0034714900000000, -0.0038277900000000 ] - [ 0.0009066800000000, 0.0000000000000000, 0.0007164500000000 ] - [ 0.0004852000000000, 0.0000266000000000, 0.0015141500000000 ] - [ 0.0004852000000000, -0.0000266000000000, 0.0015141500000000 ] - [ 0.0009842000000000, 0.0000000000000000, 0.0005671500000000 ] - [ 0.0724484500000000, 0.0000000000000000, 0.0569155200000000 ] - [ 0.0008698700000000, -0.0000368000000000, 0.0005236200000000 ] - [ 0.0008698700000000, 0.0000368000000000, 0.0005236200000000 ] - [ -0.0000147600000000, 0.0000000000000000, 0.0006452200000000 ] - [ 0.0000743200000000, -0.0000188000000000, -0.0002048000000000 ] - [ 0.0000743200000000, 0.0000188000000000, -0.0002048000000000 ] - [ -0.0052971000000000, 0.0061729300000000, 0.0034414800000000 ] - [ -0.0052971000000000, -0.0061729300000000, 0.0034414800000000 ] - [ 0.0014154700000000, 0.0000000000000000, -0.0004555200000000 ] - [ 0.0016587800000000, -0.0000817300000000, -0.0010408300000000 ] - [ 0.0016587800000000, 0.0000817300000000, -0.0010408300000000 ] - [ 0.0012697800000000, 0.0000000000000000, -0.0005680000000000 ] - [ -0.0021260600000000, 0.0001014500000000, -0.0000110500000000 ] - [ -0.0021260600000000, -0.0001014500000000, -0.0000110500000000 ] - [ -0.0012651400000000, 0.0000000000000000, 0.0003121400000000 ] - [ -0.0024972700000000, -0.0007772200000000, -0.0004180700000000 ] - [ -0.0024972700000000, 0.0007772200000000, -0.0004180700000000 ] - [ -0.0016836800000000, 0.0000000000000000, 0.0004076600000000 ] - [ -0.0001359400000000, 0.0000000000000000, -0.0003399900000000 ] - [ -0.0000061000000000, -0.0010158600000000, 0.0004039900000000 ] - [ -0.0000061000000000, 0.0010158600000000, 0.0004039900000000 ] - [ -0.0032661400000000, 0.0000000000000000, 0.0013443900000000 ] - [ -0.0005552400000000, -0.0012946600000000, 0.0010971800000000 ] - [ -0.0005552400000000, 0.0012946600000000, 0.0010971800000000 ] - [ -0.0012519100000000, 0.0000000000000000, 0.0026147800000000 ] - [ 0.0004292000000000, 0.0000978300000000, 0.0005471800000000 ] - [ 0.0004292000000000, -0.0000978300000000, 0.0005471800000000 ] - [ 0.0003092000000000, 0.0000000000000000, -0.0031109000000000 ] - [ 0.0002968300000000, 0.0006296100000000, -0.0002688800000000 ] - [ 0.0002968300000000, -0.0006296100000000, -0.0002688800000000 ] - [ -0.0030685700000000, -0.0009431200000000, -0.0006707300000000 ] - [ -0.0030685700000000, 0.0009431200000000, -0.0006707300000000 ] - [ -0.0005336100000000, 0.0000000000000000, -0.0004095800000000 ] - [ -0.0005091300000000, 0.0000637100000000, -0.0008998800000000 ] - [ -0.0005091300000000, -0.0000637100000000, -0.0008998800000000 ] - [ -0.0004917900000000, 0.0000000000000000, -0.0008269900000000 ] - [ -0.0140126400000000, 0.0000000000000000, -0.0092778800000000 ] - [ 0.0006920400000000, 0.0007130400000000, -0.0003508900000000 ] - [ 0.0006920400000000, -0.0007130400000000, -0.0003508900000000 ] - [ 0.0008854500000000, 0.0000000000000000, -0.0003381100000000 ] - [ 0.0010115100000000, 0.0000323000000000, -0.0006752100000000 ] - [ 0.0010115100000000, -0.0000323000000000, -0.0006752100000000 ] - [ 0.0005530300000000, 0.0000000000000000, -0.0029215900000000 ] - [ -0.0002608600000000, -0.0004824800000000, -0.0003942400000000 ] - [ -0.0002608600000000, 0.0004824800000000, -0.0003942400000000 ] - [ -0.0450932300000000, 0.0000000000000000, -0.0399444900000000 ] - [ -0.0008737700000000, -0.0038554500000000, -0.0009063900000000 ] - [ -0.0008737700000000, 0.0038554500000000, -0.0009063900000000 ] - [ 0.0010648300000000, -0.0006068000000000, 0.0022802400000000 ] - [ 0.0010648300000000, 0.0006068000000000, 0.0022802400000000 ] - [ -0.0001585900000000, 0.0000000000000000, -0.0002347000000000 ] - [ 0.0058090900000000, 0.0001237100000000, -0.0021552700000000 ] - [ 0.0058090900000000, -0.0001237100000000, -0.0021552700000000 ] - [ -0.0001360200000000, 0.0000000000000000, -0.0003428000000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000625200000000, 0.0037426600000000, -0.0000070300000000 ] - [ -0.0000597500000000, -0.0007771900000000, -0.0004708300000000 ] - [ -0.0000522700000000, -0.0007796100000000, 0.0005316200000000 ] - [ -0.0000470700000000, 0.0004373200000000, 0.0000329500000000 ] - [ -0.0002939600000000, -0.0002552400000000, 0.0003126700000000 ] - [ 0.0001769400000000, -0.0002547900000000, -0.0002449700000000 ] - [ -0.0004617900000000, 0.0067981800000000, 0.0000099400000000 ] - [ -0.0000651600000000, -0.0006583100000000, -0.0004533800000000 ] - [ -0.0008239400000000, -0.0006545700000000, 0.0004496300000000 ] - [ -0.0004500400000000, 0.0003518100000000, -0.0000036100000000 ] - [ -0.0005713900000000, -0.0002151500000000, 0.0004324800000000 ] - [ -0.0003218500000000, -0.0002149300000000, -0.0004309800000000 ] - [ -0.0001801400000000, -0.0000475500000000, 0.0012509200000000 ] - [ 0.0007328800000000, -0.0000422500000000, -0.0012650900000000 ] - [ 0.0002738900000000, -0.0004218400000000, -0.0000083500000000 ] - [ 0.0012738500000000, 0.0000741600000000, -0.0015328400000000 ] - [ -0.0007246700000000, 0.0000830500000000, 0.0015284000000000 ] - [ 0.0002770200000000, -0.0008287100000000, -0.0000043200000000 ] - [ -0.0000458100000000, 0.0067237600000000, 0.0000307100000000 ] - [ -0.0003400900000000, -0.0008680900000000, 0.0001136000000000 ] - [ 0.0002263400000000, -0.0008672800000000, -0.0000546100000000 ] - [ -0.0000543100000000, 0.0004595700000000, 0.0000264500000000 ] - [ -0.0000156200000000, -0.0002518400000000, -0.0000828600000000 ] - [ -0.0000929000000000, -0.0002513300000000, 0.0001384900000000 ] - [ 0.0022393100000000, -0.0021676300000000, 0.0009130000000000 ] - [ -0.0027417000000000, -0.0015948400000000, -0.0018781800000000 ] - [ -0.0002981100000000, -0.0010417300000000, -0.0004785700000000 ] - [ -0.0004897500000000, 0.0001247500000000, -0.0006278300000000 ] - [ -0.0001104600000000, 0.0001263900000000, -0.0003332800000000 ] - [ -0.0002984700000000, -0.0002475000000000, -0.0004755900000000 ] - [ 0.0000008600000000, 0.0001260300000000, 0.0002401600000000 ] - [ -0.0001145800000000, 0.0001270500000000, -0.0001728600000000 ] - [ -0.0000529400000000, -0.0002882500000000, 0.0000341000000000 ] - [ -0.0008327900000000, 0.0004402200000000, -0.0009722000000000 ] - [ 0.0007285600000000, 0.0004411300000000, 0.0010386700000000 ] - [ -0.0000565100000000, -0.0007662200000000, 0.0000352600000000 ] - [ 0.0004647400000000, -0.0000433400000000, 0.0004344200000000 ] - [ -0.0013534700000000, -0.0000418500000000, -0.0004354900000000 ] - [ -0.0004459900000000, -0.0003274800000000, -0.0000003900000000 ] - [ -0.0003051000000000, 0.0000986800000000, -0.0000162100000000 ] - [ -0.0005857400000000, 0.0000990700000000, 0.0000154000000000 ] - [ -0.0004442600000000, -0.0002115600000000, 0.0000022500000000 ] - [ 0.0002776100000000, 0.0005484200000000, -0.0000041500000000 ] - [ 0.0001954200000000, -0.0002726900000000, -0.0000590100000000 ] - [ 0.0003579400000000, -0.0002729300000000, 0.0000507900000000 ] - [ 0.0002770300000000, 0.0004147500000000, -0.0000072800000000 ] - [ 0.0005685200000000, -0.0002523900000000, 0.0001637600000000 ] - [ -0.0000116200000000, -0.0002558200000000, -0.0001684500000000 ] - [ -0.0015752700000000, 0.0003385200000000, -0.0001511200000000 ] - [ 0.0014670800000000, 0.0003500100000000, 0.0001928700000000 ] - [ -0.0000526500000000, -0.0008352700000000, 0.0000237100000000 ] - [ 0.0000162400000000, 0.0001370700000000, 0.0001227100000000 ] - [ -0.0001271900000000, 0.0001356100000000, -0.0000697600000000 ] - [ -0.0000557800000000, -0.0002749100000000, 0.0000208900000000 ] - [ -0.0003070800000000, 0.0005248700000000, -0.0004745800000000 ] - [ -0.0000957200000000, -0.0002881600000000, -0.0006871400000000 ] - [ -0.0004946500000000, -0.0002869200000000, -0.0002744700000000 ] - [ -0.0002993400000000, 0.0002093600000000, -0.0004773600000000 ] - [ -0.0002349200000000, -0.0000901200000000, -0.0001798000000000 ] - [ -0.0003582300000000, -0.0000895900000000, -0.0007752500000000 ] - [ -0.0010608300000000, -0.0027413000000000, 0.0002770200000000 ] - [ -0.0015011600000000, 0.0005353600000000, 0.0008581000000000 ] - [ -0.0006381700000000, 0.0005409300000000, -0.0002735700000000 ] - [ -0.0010626300000000, -0.0042522800000000, 0.0003050300000000 ] - [ -0.0004767700000000, 0.0012988100000000, -0.0002530300000000 ] - [ -0.0016495200000000, 0.0012976500000000, 0.0008264100000000 ] - [ 0.0002081000000000, -0.0006715300000000, 0.0006364400000000 ] - [ 0.0001545800000000, -0.0006800700000000, 0.0009250600000000 ] - [ 0.0001784300000000, 0.0012095700000000, 0.0007831800000000 ] - [ 0.0043973100000000, 0.0066619800000000, 0.0095156800000000 ] - [ -0.0040883000000000, 0.0067415900000000, -0.0080611100000000 ] - [ 0.0001824200000000, 0.0033294900000000, 0.0007799000000000 ] - [ -0.0027964000000000, 0.0022026200000000, -0.0064186800000000 ] - [ 0.0041299400000000, 0.0021944100000000, 0.0072730600000000 ] - [ 0.0006653200000000, 0.0008536100000000, 0.0004202000000000 ] - [ 0.0006320800000000, -0.0004416100000000, 0.0013595800000000 ] - [ 0.0006915800000000, -0.0004408200000000, -0.0005217700000000 ] - [ 0.0006637500000000, 0.0007555100000000, 0.0004195200000000 ] - [ -0.0003756000000000, -0.0416006300000000, -0.0003477500000000 ] - [ -0.0001922300000000, 0.0026608900000000, -0.0003459700000000 ] - [ -0.0001233300000000, 0.0026395600000000, -0.0001496200000000 ] - [ -0.0001594300000000, -0.0004347200000000, -0.0002487000000000 ] - [ -0.0001746100000000, 0.0002509800000000, -0.0004361800000000 ] - [ -0.0001392000000000, 0.0002503700000000, -0.0000544600000000 ] - [ -0.0061061200000000, 0.0026310100000000, 0.0026223900000000 ] - [ 0.0083754400000000, 0.0026297200000000, -0.0036584900000000 ] - [ 0.0011110300000000, 0.0010490000000000, -0.0005089100000000 ] - [ 0.0014849600000000, -0.0003038500000000, -0.0011783300000000 ] - [ 0.0007413000000000, -0.0003085300000000, 0.0001526400000000 ] - [ 0.0011161200000000, 0.0005161500000000, -0.0005082900000000 ] - [ -0.0020730600000000, -0.0002948700000000, -0.0000876300000000 ] - [ -0.0000681500000000, -0.0002958000000000, 0.0006669900000000 ] - [ -0.0010726600000000, 0.0005141500000000, 0.0002945200000000 ] - [ -0.0004230900000000, -0.0004994900000000, 0.0002770600000000 ] - [ -0.0017206000000000, -0.0005074200000000, 0.0003098600000000 ] - [ -0.0010710600000000, 0.0009325500000000, 0.0002859900000000 ] - [ 0.0001774700000000, -0.0027752000000000, 0.0007790900000000 ] - [ 0.0003657700000000, 0.0017581800000000, 0.0011953600000000 ] - [ -0.0000064200000000, 0.0017617300000000, 0.0003653600000000 ] - [ 0.0001801100000000, -0.0031007400000000, 0.0007822200000000 ] - [ 0.0005969700000000, 0.0019941300000000, 0.0004992600000000 ] - [ -0.0002384400000000, 0.0019935400000000, 0.0010608200000000 ] - [ 0.0006694200000000, -0.0007530600000000, 0.0004220300000000 ] - [ 0.0005637900000000, 0.0003297500000000, 0.0007529400000000 ] - [ 0.0007640700000000, 0.0003313500000000, 0.0000907600000000 ] - [ 0.0006764900000000, -0.0014643000000000, 0.0004439900000000 ] - [ 0.0000359200000000, 0.0015705300000000, -0.0006151800000000 ] - [ 0.0012875400000000, 0.0015614300000000, 0.0014467400000000 ] - [ -0.0010900200000000, -0.0004895700000000, -0.0006186200000000 ] - [ 0.0007814100000000, -0.0004927600000000, 0.0001235000000000 ] - [ -0.0001614200000000, 0.0007856800000000, -0.0002470600000000 ] - [ -0.0000966900000000, -0.0003449200000000, -0.0000252500000000 ] - [ -0.0002258600000000, -0.0003429200000000, -0.0004797000000000 ] - [ -0.0001550000000000, 0.0007389500000000, -0.0002464100000000 ] - [ 0.0011258300000000, -0.0051993100000000, -0.0004966300000000 ] - [ 0.0003034300000000, 0.0012679100000000, -0.0003734600000000 ] - [ 0.0019198200000000, 0.0012733600000000, -0.0006456300000000 ] - [ 0.0011187800000000, -0.0004305900000000, -0.0005113100000000 ] - [ 0.0012691400000000, 0.0002096300000000, -0.0006872100000000 ] - [ 0.0009592000000000, 0.0002064200000000, -0.0003344900000000 ] - [ -0.0001633100000000, 0.0011094400000000, -0.0003079500000000 ] - [ 0.0001354000000000, -0.0005892500000000, -0.0006182200000000 ] - [ -0.0004419600000000, -0.0005954400000000, -0.0000059400000000 ] - [ -0.0000462800000000, 0.0212433900000000, -0.0000974300000000 ] - [ 0.0000772200000000, -0.0083282800000000, 0.0001737500000000 ] - [ -0.0003886700000000, -0.0083119100000000, -0.0007863500000000 ] - [ 0.0011205400000000, 0.0013272600000000, 0.0025938100000000 ] - [ -0.0014131600000000, 0.0013278000000000, -0.0031958400000000 ] - [ -0.0001539300000000, -0.0022186400000000, -0.0003146800000000 ] - [ 0.0027450300000000, 0.0017016200000000, -0.0021704700000000 ] - [ -0.0030508900000000, 0.0017119400000000, 0.0015543500000000 ] - [ -0.0001494000000000, -0.0028647500000000, -0.0003102700000000 ]- atom: 79 displacement: [ -0.0033530628758559, 0.0000000000000000, 0.0094210917281681 ] forces: - [ 0.0019382100000000, 0.0000000000000000, 0.0127500400000000 ] - [ 0.0001527500000000, -0.0007779800000000, 0.0007184400000000 ] - [ 0.0001527500000000, 0.0007779800000000, 0.0007184400000000 ] - [ 0.0029030000000000, 0.0000000000000000, -0.0021501000000000 ] - [ 0.0000518400000000, 0.0001873000000000, -0.0005199200000000 ] - [ 0.0000518400000000, -0.0001873000000000, -0.0005199200000000 ] - [ 0.0076604100000000, 0.0000000000000000, 0.0013075500000000 ] - [ -0.0003721100000000, -0.0004214900000000, 0.0007201900000000 ] - [ -0.0003721100000000, 0.0004214900000000, 0.0007201900000000 ] - [ -0.0015383900000000, 0.0000000000000000, -0.0031138800000000 ] - [ -0.0002863500000000, 0.0001325700000000, -0.0007416000000000 ] - [ -0.0002863500000000, -0.0001325700000000, -0.0007416000000000 ] - [ 0.0005966700000000, 0.0017983500000000, -0.0015303100000000 ] - [ 0.0005966700000000, -0.0017983500000000, -0.0015303100000000 ] - [ 0.0002921000000000, 0.0000000000000000, 0.0000785300000000 ] - [ 0.0011315700000000, -0.0025644600000000, -0.0004193600000000 ] - [ 0.0011315700000000, 0.0025644600000000, -0.0004193600000000 ] - [ 0.0003821900000000, 0.0000000000000000, -0.0000187800000000 ] - [ 0.0001635800000000, 0.0000000000000000, 0.0074224100000000 ] - [ -0.0000748000000000, 0.0003219300000000, 0.0003195300000000 ] - [ -0.0000748000000000, -0.0003219300000000, 0.0003195300000000 ] - [ -0.0003348600000000, 0.0000000000000000, -0.0013746500000000 ] - [ 0.0000925100000000, -0.0002693800000000, -0.0002251600000000 ] - [ 0.0000925100000000, 0.0002693800000000, -0.0002251600000000 ] - [ -0.0028131900000000, 0.0025314000000000, 0.0058841800000000 ] - [ -0.0028131900000000, -0.0025314000000000, 0.0058841800000000 ] - [ -0.0002252000000000, 0.0000000000000000, -0.0000434700000000 ] - [ -0.0000061900000000, 0.0000746600000000, -0.0016399800000000 ] - [ -0.0000061900000000, -0.0000746600000000, -0.0016399800000000 ] - [ -0.0002367800000000, 0.0000000000000000, -0.0009006000000000 ] - [ 0.0001423700000000, 0.0004462300000000, 0.0007798700000000 ] - [ 0.0001423700000000, -0.0004462300000000, 0.0007798700000000 ] - [ -0.0000717900000000, 0.0000000000000000, 0.0004284300000000 ] - [ -0.0007081200000000, -0.0001039400000000, -0.0010469500000000 ] - [ -0.0007081200000000, 0.0001039400000000, -0.0010469500000000 ] - [ -0.0002053800000000, 0.0000000000000000, -0.0003656400000000 ] - [ -0.0013005200000000, 0.0004764900000000, 0.0014302700000000 ] - [ -0.0013005200000000, -0.0004764900000000, 0.0014302700000000 ] - [ -0.0005378100000000, 0.0000000000000000, 0.0004926500000000 ] - [ -0.0003071300000000, 0.0000157800000000, -0.0009121600000000 ] - [ -0.0003071300000000, -0.0000157800000000, -0.0009121600000000 ] - [ -0.0003992200000000, 0.0000000000000000, -0.0005035500000000 ] - [ 0.0001065500000000, 0.0000000000000000, -0.0002251400000000 ] - [ 0.0001031800000000, -0.0002568400000000, 0.0000328600000000 ] - [ 0.0001031800000000, 0.0002568400000000, 0.0000328600000000 ] - [ 0.0001632200000000, 0.0000000000000000, -0.0001597200000000 ] - [ 0.0000978300000000, 0.0000959500000000, -0.0001131800000000 ] - [ 0.0000978300000000, -0.0000959500000000, -0.0001131800000000 ] - [ -0.0002438900000000, 0.0002109000000000, 0.0008622300000000 ] - [ -0.0002438900000000, -0.0002109000000000, 0.0008622300000000 ] - [ -0.0001247100000000, 0.0000000000000000, 0.0001050300000000 ] - [ -0.0000454800000000, 0.0000511900000000, -0.0004897100000000 ] - [ -0.0000454800000000, -0.0000511900000000, -0.0004897100000000 ] - [ -0.0000939700000000, 0.0000000000000000, -0.0001309700000000 ] - [ -0.0003148900000000, 0.0000000000000000, 0.0010126200000000 ] - [ -0.0003716200000000, 0.0000066000000000, 0.0000721200000000 ] - [ -0.0003716200000000, -0.0000066000000000, 0.0000721200000000 ] - [ -0.0005702000000000, 0.0000000000000000, -0.0013966500000000 ] - [ -0.0004652100000000, -0.0000921800000000, -0.0012294100000000 ] - [ -0.0004652100000000, 0.0000921800000000, -0.0012294100000000 ] - [ -0.0093783000000000, 0.0000000000000000, 0.0139257300000000 ] - [ -0.0014567100000000, 0.0007612200000000, 0.0003336100000000 ] - [ -0.0014567100000000, -0.0007612200000000, 0.0003336100000000 ] - [ -0.0032249600000000, 0.0000000000000000, 0.0133165900000000 ] - [ -0.0014141800000000, -0.0008268900000000, 0.0005453500000000 ] - [ -0.0014141800000000, 0.0008268900000000, 0.0005453500000000 ] - [ -0.0005499300000000, -0.0021013500000000, 0.0015716000000000 ] - [ -0.0005499300000000, 0.0021013500000000, 0.0015716000000000 ] - [ 0.0000772900000000, 0.0000000000000000, 0.0008954900000000 ] - [ 0.0030615800000000, 0.0072090000000000, 0.0005815600000000 ] - [ 0.0030615800000000, -0.0072090000000000, 0.0005815600000000 ] - [ 0.0001697000000000, 0.0000000000000000, 0.0005842000000000 ] - [ 0.0046741900000000, -0.0052908500000000, 0.0054110000000000 ] - [ 0.0046741900000000, 0.0052908500000000, 0.0054110000000000 ] - [ 0.0004754700000000, 0.0000000000000000, -0.0004046000000000 ] - [ -0.0004194700000000, 0.0008928900000000, 0.0016604100000000 ] - [ -0.0004194700000000, -0.0008928900000000, 0.0016604100000000 ] - [ 0.0006381900000000, 0.0000000000000000, 0.0010743900000000 ] - [ -0.0282438100000000, 0.0000000000000000, -0.1359715600000000 ] - [ -0.0005404900000000, 0.0000737900000000, -0.0020692800000000 ] - [ -0.0005404900000000, -0.0000737900000000, -0.0020692800000000 ] - [ -0.0009672900000000, 0.0000000000000000, 0.0056915600000000 ] - [ -0.0001254600000000, 0.0001756600000000, 0.0008165000000000 ] - [ -0.0001254600000000, -0.0001756600000000, 0.0008165000000000 ] - [ -0.0023350400000000, 0.0030560200000000, -0.0015909200000000 ] - [ -0.0023350400000000, -0.0030560200000000, -0.0015909200000000 ] - [ 0.0010926900000000, 0.0000000000000000, -0.0008414000000000 ] - [ 0.0008725500000000, -0.0005723500000000, 0.0012140000000000 ] - [ 0.0008725500000000, 0.0005723500000000, 0.0012140000000000 ] - [ 0.0009269200000000, 0.0000000000000000, -0.0001412700000000 ] - [ 0.0001694200000000, -0.0003252800000000, 0.0003450300000000 ] - [ 0.0001694200000000, 0.0003252800000000, 0.0003450300000000 ] - [ -0.0008548500000000, 0.0000000000000000, 0.0000379700000000 ] - [ -0.0008956500000000, 0.0001038000000000, 0.0004107600000000 ] - [ -0.0008956500000000, -0.0001038000000000, 0.0004107600000000 ] - [ -0.0009637300000000, 0.0000000000000000, 0.0004893600000000 ] - [ 0.0012738000000000, 0.0000000000000000, 0.0024553900000000 ] - [ 0.0004647100000000, 0.0019298200000000, 0.0013500800000000 ] - [ 0.0004647100000000, -0.0019298200000000, 0.0013500800000000 ] - [ -0.0014550000000000, 0.0000000000000000, 0.0006902600000000 ] - [ -0.0000444900000000, -0.0007659800000000, 0.0007931100000000 ] - [ -0.0000444900000000, 0.0007659800000000, 0.0007931100000000 ] - [ -0.0020296000000000, 0.0000000000000000, -0.0003887200000000 ] - [ 0.0004725700000000, 0.0003480100000000, -0.0003713600000000 ] - [ 0.0004725700000000, -0.0003480100000000, -0.0003713600000000 ] - [ 0.0038870500000000, 0.0000000000000000, 0.0041363400000000 ] - [ 0.0011967700000000, -0.0007646700000000, 0.0017324700000000 ] - [ 0.0011967700000000, 0.0007646700000000, 0.0017324700000000 ] - [ -0.0007364800000000, 0.0000347200000000, -0.0017456400000000 ] - [ -0.0007364800000000, -0.0000347200000000, -0.0017456400000000 ] - [ -0.0001392600000000, 0.0000000000000000, -0.0009702600000000 ] - [ 0.0003294100000000, -0.0001938900000000, 0.0010843700000000 ] - [ 0.0003294100000000, 0.0001938900000000, 0.0010843700000000 ] - [ 0.0002689400000000, 0.0000000000000000, 0.0009530100000000 ] - [ -0.0002499200000000, 0.0000000000000000, -0.0076693800000000 ] - [ 0.0016154700000000, -0.0005244600000000, -0.0013211300000000 ] - [ 0.0016154700000000, 0.0005244600000000, -0.0013211300000000 ] - [ 0.0013992400000000, 0.0000000000000000, 0.0006507500000000 ] - [ 0.0010008800000000, 0.0003049500000000, 0.0000350000000000 ] - [ 0.0010008800000000, -0.0003049500000000, 0.0000350000000000 ] - [ 0.0058993100000000, 0.0000000000000000, -0.0055684500000000 ] - [ 0.0001767800000000, -0.0015316400000000, -0.0007649200000000 ] - [ 0.0001767800000000, 0.0015316400000000, -0.0007649200000000 ] - [ 0.0214345900000000, 0.0000000000000000, 0.0779989200000000 ] - [ 0.0002130800000000, 0.0048260700000000, 0.0008624800000000 ] - [ 0.0002130800000000, -0.0048260700000000, 0.0008624800000000 ] - [ -0.0023401500000000, 0.0014043600000000, -0.0044067900000000 ] - [ -0.0023401500000000, -0.0014043600000000, -0.0044067900000000 ] - [ -0.0002094600000000, 0.0000000000000000, -0.0003546700000000 ] - [ 0.0019623200000000, -0.0011527100000000, -0.0002304900000000 ] - [ 0.0019623200000000, 0.0011527100000000, -0.0002304900000000 ] - [ -0.0002346900000000, 0.0000000000000000, -0.0002012900000000 ]- atom: 79 displacement: [ 0.0033530628758559, 0.0000000000000000, -0.0094210917281681 ] forces: - [ -0.0016579900000000, 0.0000000000000000, -0.0117585000000000 ] - [ -0.0002743300000000, 0.0007805100000000, -0.0006382000000000 ] - [ -0.0002743300000000, -0.0007805100000000, -0.0006382000000000 ] - [ -0.0030516200000000, 0.0000000000000000, 0.0022287900000000 ] - [ -0.0001716300000000, -0.0001887600000000, 0.0005927900000000 ] - [ -0.0001716300000000, 0.0001887600000000, 0.0005927900000000 ] - [ -0.0087963500000000, 0.0000000000000000, -0.0011370600000000 ] - [ -0.0005214600000000, 0.0004219700000000, -0.0007169100000000 ] - [ -0.0005214600000000, -0.0004219700000000, -0.0007169100000000 ] - [ 0.0006589300000000, 0.0000000000000000, 0.0031286900000000 ] - [ -0.0006044000000000, -0.0001341800000000, 0.0007391300000000 ] - [ -0.0006044000000000, 0.0001341800000000, 0.0007391300000000 ] - [ -0.0000443200000000, -0.0017905100000000, 0.0015115400000000 ] - [ -0.0000443200000000, 0.0017905100000000, 0.0015115400000000 ] - [ 0.0002642000000000, 0.0000000000000000, -0.0000913500000000 ] - [ -0.0005755600000000, 0.0025874400000000, 0.0003959000000000 ] - [ -0.0005755600000000, -0.0025874400000000, 0.0003959000000000 ] - [ 0.0001728400000000, 0.0000000000000000, 0.0000041100000000 ] - [ 0.0001154200000000, 0.0000000000000000, -0.0076581800000000 ] - [ -0.0000374100000000, -0.0003177300000000, -0.0002624400000000 ] - [ -0.0000374100000000, 0.0003177300000000, -0.0002624400000000 ] - [ 0.0002224100000000, 0.0000000000000000, 0.0014334800000000 ] - [ -0.0002058300000000, 0.0002699900000000, 0.0002809300000000 ] - [ -0.0002058300000000, -0.0002699900000000, 0.0002809300000000 ] - [ 0.0022312700000000, -0.0025873600000000, -0.0068367300000000 ] - [ 0.0022312700000000, 0.0025873600000000, -0.0068367300000000 ] - [ -0.0003599200000000, 0.0000000000000000, -0.0009208400000000 ] - [ -0.0005858100000000, -0.0000691400000000, 0.0006742400000000 ] - [ -0.0005858100000000, 0.0000691400000000, 0.0006742400000000 ] - [ -0.0003535400000000, 0.0000000000000000, -0.0000689300000000 ] - [ -0.0002575400000000, -0.0004455900000000, -0.0006980800000000 ] - [ -0.0002575400000000, 0.0004455900000000, -0.0006980800000000 ] - [ -0.0000458400000000, 0.0000000000000000, -0.0003553100000000 ] - [ 0.0005877200000000, 0.0001093400000000, 0.0011165900000000 ] - [ 0.0005877200000000, -0.0001093400000000, 0.0011165900000000 ] - [ 0.0000877000000000, 0.0000000000000000, 0.0004407800000000 ] - [ 0.0004148400000000, -0.0004833800000000, -0.0014217500000000 ] - [ 0.0004148400000000, 0.0004833800000000, -0.0014217500000000 ] - [ -0.0003528300000000, 0.0000000000000000, -0.0004912400000000 ] - [ -0.0005846000000000, -0.0000147100000000, 0.0009098500000000 ] - [ -0.0005846000000000, 0.0000147100000000, 0.0009098500000000 ] - [ -0.0004928000000000, 0.0000000000000000, 0.0005000400000000 ] - [ 0.0004531000000000, 0.0000000000000000, 0.0002154700000000 ] - [ 0.0004550100000000, 0.0002571400000000, -0.0000446800000000 ] - [ 0.0004550100000000, -0.0002571400000000, -0.0000446800000000 ] - [ 0.0003967400000000, 0.0000000000000000, 0.0001313400000000 ] - [ 0.0004590000000000, -0.0000957100000000, 0.0000987600000000 ] - [ 0.0004590000000000, 0.0000957100000000, 0.0000987600000000 ] - [ 0.0001298500000000, -0.0002227800000000, -0.0008074100000000 ] - [ 0.0001298500000000, 0.0002227800000000, -0.0008074100000000 ] - [ 0.0000123000000000, 0.0000000000000000, -0.0000476000000000 ] - [ -0.0000638800000000, -0.0000478300000000, 0.0005491400000000 ] - [ -0.0000638800000000, 0.0000478300000000, 0.0005491400000000 ] - [ -0.0000176600000000, 0.0000000000000000, 0.0001872600000000 ] - [ -0.0002817400000000, 0.0000000000000000, -0.0019641500000000 ] - [ -0.0002100000000000, -0.0000039100000000, -0.0010349900000000 ] - [ -0.0002100000000000, 0.0000039100000000, -0.0010349900000000 ] - [ -0.0000135600000000, 0.0000000000000000, 0.0004334000000000 ] - [ -0.0001234100000000, 0.0000912200000000, 0.0002616700000000 ] - [ -0.0001234100000000, -0.0000912200000000, 0.0002616700000000 ] - [ 0.0071820000000000, 0.0000000000000000, -0.0132425700000000 ] - [ -0.0006837100000000, -0.0007606500000000, 0.0002486400000000 ] - [ -0.0006837100000000, 0.0007606500000000, 0.0002486400000000 ] - [ 0.0012055300000000, 0.0000000000000000, -0.0130271500000000 ] - [ -0.0007217300000000, 0.0008258800000000, 0.0000371000000000 ] - [ -0.0007217300000000, -0.0008258800000000, 0.0000371000000000 ] - [ 0.0009068400000000, 0.0020794300000000, -0.0000126800000000 ] - [ 0.0009068400000000, -0.0020794300000000, -0.0000126800000000 ] - [ 0.0002816900000000, 0.0000000000000000, 0.0006691300000000 ] - [ -0.0027180000000000, -0.0072717900000000, 0.0010229500000000 ] - [ -0.0027180000000000, 0.0072717900000000, 0.0010229500000000 ] - [ 0.0001917400000000, 0.0000000000000000, 0.0009771400000000 ] - [ -0.0033274400000000, 0.0052788200000000, -0.0045806900000000 ] - [ -0.0033274400000000, -0.0052788200000000, -0.0045806900000000 ] - [ 0.0008601700000000, 0.0000000000000000, 0.0012506000000000 ] - [ 0.0017665100000000, -0.0009056100000000, -0.0007976900000000 ] - [ 0.0017665100000000, 0.0009056100000000, -0.0007976900000000 ] - [ 0.0006982500000000, 0.0000000000000000, -0.0002217900000000 ] - [ 0.0289921100000000, 0.0000000000000000, 0.1370985300000000 ] - [ 0.0002232900000000, -0.0000845200000000, 0.0015671000000000 ] - [ 0.0002232900000000, 0.0000845200000000, 0.0015671000000000 ] - [ 0.0006527400000000, 0.0000000000000000, -0.0061873800000000 ] - [ -0.0001925000000000, -0.0001740900000000, -0.0013132600000000 ] - [ -0.0001925000000000, 0.0001740900000000, -0.0013132600000000 ] - [ 0.0045381800000000, -0.0030447400000000, 0.0006068800000000 ] - [ 0.0045381800000000, 0.0030447400000000, 0.0006068800000000 ] - [ 0.0011369200000000, 0.0000000000000000, -0.0001814600000000 ] - [ 0.0013610900000000, 0.0005697100000000, -0.0022375800000000 ] - [ 0.0013610900000000, -0.0005697100000000, -0.0022375800000000 ] - [ 0.0013055300000000, 0.0000000000000000, -0.0008793700000000 ] - [ -0.0023122900000000, 0.0003243600000000, 0.0002297300000000 ] - [ -0.0023122900000000, -0.0003243600000000, 0.0002297300000000 ] - [ -0.0012896900000000, 0.0000000000000000, 0.0005480400000000 ] - [ -0.0012412000000000, -0.0001006500000000, 0.0001780500000000 ] - [ -0.0012412000000000, 0.0001006500000000, 0.0001780500000000 ] - [ -0.0011801700000000, 0.0000000000000000, 0.0000910500000000 ] - [ -0.0009108000000000, 0.0000000000000000, -0.0008915000000000 ] - [ -0.0001051700000000, -0.0019243700000000, 0.0002112100000000 ] - [ -0.0001051700000000, 0.0019243700000000, 0.0002112100000000 ] - [ 0.0018299000000000, 0.0000000000000000, 0.0008813700000000 ] - [ 0.0004008700000000, 0.0007587000000000, 0.0007705200000000 ] - [ 0.0004008700000000, -0.0007587000000000, 0.0007705200000000 ] - [ 0.0033489000000000, 0.0000000000000000, 0.0012241800000000 ] - [ 0.0008589700000000, -0.0003501000000000, 0.0012140500000000 ] - [ 0.0008589700000000, 0.0003501000000000, 0.0012140500000000 ] - [ -0.0025463300000000, 0.0000000000000000, -0.0032378900000000 ] - [ 0.0001389500000000, 0.0007633500000000, -0.0008824000000000 ] - [ 0.0001389500000000, -0.0007633500000000, -0.0008824000000000 ] - [ 0.0004132600000000, -0.0000324500000000, 0.0012363600000000 ] - [ 0.0004132600000000, 0.0000324500000000, 0.0012363600000000 ] - [ -0.0001873800000000, 0.0000000000000000, 0.0004599300000000 ] - [ -0.0006531400000000, 0.0001921000000000, -0.0015850000000000 ] - [ -0.0006531400000000, -0.0001921000000000, -0.0015850000000000 ] - [ -0.0005877500000000, 0.0000000000000000, -0.0014510600000000 ] - [ 0.0025345900000000, 0.0000000000000000, 0.0067204600000000 ] - [ 0.0006104900000000, 0.0005223600000000, 0.0003001200000000 ] - [ 0.0006104900000000, -0.0005223600000000, 0.0003001200000000 ] - [ 0.0008290500000000, 0.0000000000000000, -0.0016795400000000 ] - [ 0.0012285000000000, -0.0002982700000000, -0.0010582800000000 ] - [ 0.0012285000000000, 0.0002982700000000, -0.0010582800000000 ] - [ -0.0061923900000000, 0.0000000000000000, 0.0049587400000000 ] - [ -0.0004851000000000, 0.0015216300000000, 0.0001419000000000 ] - [ -0.0004851000000000, -0.0015216300000000, 0.0001419000000000 ] - [ -0.0234892300000000, 0.0000000000000000, -0.0811175100000000 ] - [ -0.0005279900000000, -0.0048205700000000, -0.0014862700000000 ] - [ -0.0005279900000000, 0.0048205700000000, -0.0014862700000000 ] - [ 0.0020367100000000, -0.0014008800000000, 0.0037943500000000 ] - [ 0.0020367100000000, 0.0014008800000000, 0.0037943500000000 ] - [ -0.0000984100000000, 0.0000000000000000, -0.0002715300000000 ] - [ -0.0022617300000000, 0.0011586700000000, -0.0004147500000000 ] - [ -0.0022617300000000, -0.0011586700000000, -0.0004147500000000 ] - [ -0.0000691300000000, 0.0000000000000000, -0.0004200700000000 ]- atom: 85 displacement: [ 0.0099999834948202, 0.0000000000000000, 0.0000181687457952 ] forces: - [ -0.0001620300000000, 0.0008595800000000, 0.0015495100000000 ] - [ -0.0000820700000000, 0.0000000000000000, 0.0001325100000000 ] - [ -0.0001620300000000, -0.0008595800000000, 0.0015495100000000 ] - [ 0.0018567200000000, -0.0006295200000000, -0.0000557800000000 ] - [ 0.0002452500000000, 0.0000000000000000, 0.0000090600000000 ] - [ 0.0018567200000000, 0.0006295200000000, -0.0000557800000000 ] - [ -0.0019352700000000, -0.0001755800000000, 0.0006955500000000 ] - [ -0.0006228500000000, 0.0000000000000000, 0.0001471300000000 ] - [ -0.0019352700000000, 0.0001755800000000, 0.0006955500000000 ] - [ -0.0005264400000000, 0.0000374800000000, -0.0010540000000000 ] - [ -0.0003632200000000, 0.0000000000000000, -0.0001746600000000 ] - [ -0.0005264400000000, -0.0000374800000000, -0.0010540000000000 ] - [ -0.0004378400000000, 0.0000000000000000, 0.0005231200000000 ] - [ 0.0001699200000000, 0.0001253700000000, 0.0002035800000000 ] - [ 0.0001699200000000, -0.0001253700000000, 0.0002035800000000 ] - [ 0.0052095700000000, 0.0000000000000000, -0.0035117000000000 ] - [ 0.0010056100000000, 0.0007855400000000, 0.0000538300000000 ] - [ 0.0010056100000000, -0.0007855400000000, 0.0000538300000000 ] - [ 0.0060295900000000, 0.0051356400000000, -0.0004226300000000 ] - [ 0.0002453700000000, 0.0000000000000000, 0.0000384000000000 ] - [ 0.0060295900000000, -0.0051356400000000, -0.0004226300000000 ] - [ -0.0001572400000000, 0.0000921300000000, 0.0003272800000000 ] - [ -0.0001276200000000, 0.0000000000000000, 0.0001241700000000 ] - [ -0.0001572400000000, -0.0000921300000000, 0.0003272800000000 ] - [ 0.0127526500000000, 0.0000000000000000, -0.0048697300000000 ] - [ 0.0003981100000000, 0.0010440100000000, -0.0004662300000000 ] - [ 0.0003981100000000, -0.0010440100000000, -0.0004662300000000 ] - [ 0.0001943000000000, 0.0000000000000000, 0.0012782200000000 ] - [ -0.0002131400000000, 0.0001015800000000, -0.0002378900000000 ] - [ -0.0002131400000000, -0.0001015800000000, -0.0002378900000000 ] - [ -0.0004427700000000, 0.0000000000000000, -0.0038079900000000 ] - [ -0.0000923100000000, -0.0000938500000000, -0.0002518800000000 ] - [ -0.0000923100000000, 0.0000938500000000, -0.0002518800000000 ] - [ -0.0012430200000000, 0.0000000000000000, -0.0007929100000000 ] - [ -0.0006946000000000, 0.0002510200000000, 0.0001103600000000 ] - [ -0.0006946000000000, -0.0002510200000000, 0.0001103600000000 ] - [ 0.0105968700000000, 0.0000000000000000, 0.0054679000000000 ] - [ -0.0000324500000000, -0.0000297900000000, -0.0003013800000000 ] - [ -0.0000324500000000, 0.0000297900000000, -0.0003013800000000 ] - [ -0.0013109700000000, 0.0000000000000000, 0.0010033900000000 ] - [ -0.0005698500000000, -0.0000835000000000, 0.0004892800000000 ] - [ -0.0005698500000000, 0.0000835000000000, 0.0004892800000000 ] - [ 0.0005511500000000, -0.0001519300000000, -0.0003866100000000 ] - [ 0.0003610400000000, 0.0000000000000000, -0.0000720900000000 ] - [ 0.0005511500000000, 0.0001519300000000, -0.0003866100000000 ] - [ -0.0013418600000000, -0.0001432600000000, 0.0002700500000000 ] - [ -0.0000367000000000, 0.0000000000000000, -0.0001092800000000 ] - [ -0.0013418600000000, 0.0001432600000000, 0.0002700500000000 ] - [ -0.0038877200000000, 0.0000000000000000, 0.0019441000000000 ] - [ -0.0007837000000000, 0.0001066200000000, -0.0001314800000000 ] - [ -0.0007837000000000, -0.0001066200000000, -0.0001314800000000 ] - [ -0.0000620700000000, 0.0000000000000000, -0.0001620400000000 ] - [ -0.0000008200000000, 0.0000037900000000, -0.0000594300000000 ] - [ -0.0000008200000000, -0.0000037900000000, -0.0000594300000000 ] - [ -0.0018272800000000, -0.0024834900000000, -0.0008522200000000 ] - [ -0.0005739200000000, 0.0000000000000000, -0.0004980000000000 ] - [ -0.0018272800000000, 0.0024834900000000, -0.0008522200000000 ] - [ -0.0003391000000000, -0.0000465100000000, -0.0007509800000000 ] - [ -0.0003109800000000, 0.0000000000000000, -0.0005334800000000 ] - [ -0.0003391000000000, 0.0000465100000000, -0.0007509800000000 ] - [ 0.0001928800000000, -0.0001970600000000, -0.0006271300000000 ] - [ -0.0007489900000000, 0.0000000000000000, 0.0000615100000000 ] - [ 0.0001928800000000, 0.0001970600000000, -0.0006271300000000 ] - [ -0.0005244700000000, -0.0046214000000000, 0.0046686000000000 ] - [ -0.0017290000000000, 0.0000000000000000, 0.0005153700000000 ] - [ -0.0005244700000000, 0.0046214000000000, 0.0046686000000000 ] - [ 0.0004720000000000, 0.0000000000000000, 0.0009946000000000 ] - [ 0.0003078600000000, 0.0001853500000000, 0.0008456900000000 ] - [ 0.0003078600000000, -0.0001853500000000, 0.0008456900000000 ] - [ 0.0090986000000000, 0.0000000000000000, 0.0037930700000000 ] - [ 0.0007964700000000, -0.0019441600000000, 0.0010849900000000 ] - [ 0.0007964700000000, 0.0019441600000000, 0.0010849900000000 ] - [ -0.0002591700000000, 0.0000000000000000, -0.0087019800000000 ] - [ 0.0002736500000000, -0.0004296300000000, -0.0001286100000000 ] - [ 0.0002736500000000, 0.0004296300000000, -0.0001286100000000 ] - [ -0.0032594000000000, 0.0000000000000000, -0.0032871600000000 ] - [ -0.0004421700000000, 0.0005910900000000, -0.0003388200000000 ] - [ -0.0004421700000000, -0.0005910900000000, -0.0003388200000000 ] - [ 0.0062498100000000, -0.0072116600000000, -0.0016072900000000 ] - [ -0.0004625500000000, 0.0000000000000000, -0.0003848100000000 ] - [ 0.0062498100000000, 0.0072116600000000, -0.0016072900000000 ] - [ -0.0007026500000000, 0.0003739200000000, -0.0006995300000000 ] - [ -0.0003110600000000, 0.0000000000000000, -0.0005007400000000 ] - [ -0.0007026500000000, -0.0003739200000000, -0.0006995300000000 ] - [ -0.1657541600000000, 0.0000000000000000, 0.0526326000000000 ] - [ -0.0008063100000000, -0.0002854100000000, -0.0000001600000000 ] - [ -0.0008063100000000, 0.0002854100000000, -0.0000001600000000 ] - [ 0.0024446900000000, 0.0000000000000000, -0.0028632400000000 ] - [ 0.0014056600000000, -0.0000701200000000, -0.0009077600000000 ] - [ 0.0014056600000000, 0.0000701200000000, -0.0009077600000000 ] - [ -0.0032475900000000, 0.0000000000000000, 0.0023099000000000 ] - [ -0.0015920100000000, 0.0000171300000000, 0.0005968100000000 ] - [ -0.0015920100000000, -0.0000171300000000, 0.0005968100000000 ] - [ 0.0051351800000000, 0.0000000000000000, -0.0032905000000000 ] - [ 0.0002330500000000, 0.0008654500000000, -0.0002170400000000 ] - [ 0.0002330500000000, -0.0008654500000000, -0.0002170400000000 ] - [ -0.0001874800000000, -0.0008136800000000, 0.0003784600000000 ] - [ 0.0001138400000000, 0.0000000000000000, 0.0006908800000000 ] - [ -0.0001874800000000, 0.0008136800000000, 0.0003784600000000 ] - [ 0.0012872000000000, 0.0090230800000000, -0.0015866200000000 ] - [ -0.0000328900000000, 0.0000000000000000, 0.0008539300000000 ] - [ 0.0012872000000000, -0.0090230800000000, -0.0015866200000000 ] - [ 0.0017181300000000, 0.0010104600000000, 0.0021249600000000 ] - [ 0.0008562500000000, 0.0000000000000000, 0.0007172500000000 ] - [ 0.0017181300000000, -0.0010104600000000, 0.0021249600000000 ] - [ 0.0020938400000000, -0.0006433600000000, 0.0011124000000000 ] - [ 0.0012817900000000, 0.0000000000000000, 0.0007565300000000 ] - [ 0.0020938400000000, 0.0006433600000000, 0.0011124000000000 ] - [ 0.0149689200000000, 0.0000000000000000, 0.0036814000000000 ] - [ 0.0002611900000000, 0.0008092900000000, 0.0004337600000000 ] - [ 0.0002611900000000, -0.0008092900000000, 0.0004337600000000 ] - [ 0.0000708800000000, 0.0000000000000000, 0.0001337300000000 ] - [ -0.0000548300000000, -0.0001531400000000, -0.0003315100000000 ] - [ -0.0000548300000000, 0.0001531400000000, -0.0003315100000000 ] - [ 0.0050846000000000, 0.0002853700000000, -0.0011969500000000 ] - [ 0.0020208000000000, 0.0000000000000000, -0.0006635400000000 ] - [ 0.0050846000000000, -0.0002853700000000, -0.0011969500000000 ] - [ 0.0007438300000000, 0.0000040000000000, 0.0001343200000000 ] - [ 0.0009042700000000, 0.0000000000000000, -0.0003543100000000 ] - [ 0.0007438300000000, -0.0000040000000000, 0.0001343200000000 ] - [ -0.0011326400000000, 0.0000139600000000, -0.0009061900000000 ] - [ -0.0002126000000000, 0.0000000000000000, -0.0002762300000000 ] - [ -0.0011326400000000, -0.0000139600000000, -0.0009061900000000 ] - [ -0.0078415700000000, 0.0068539900000000, -0.0035414000000000 ] - [ -0.0003471100000000, 0.0000000000000000, -0.0004192000000000 ] - [ -0.0078415700000000, -0.0068539900000000, -0.0035414000000000 ] - [ 0.0029629600000000, 0.0000000000000000, 0.0025835900000000 ] - [ 0.0000863500000000, 0.0004574900000000, 0.0000152900000000 ] - [ 0.0000863500000000, -0.0004574900000000, 0.0000152900000000 ] - [ 0.0959120300000000, 0.0000000000000000, -0.0394514500000000 ] - [ 0.0012240900000000, -0.0061665000000000, -0.0008688400000000 ] - [ 0.0012240900000000, 0.0061665000000000, -0.0008688400000000 ]- atom: 85 displacement: [ -0.0099999834948202, 0.0000000000000000, -0.0000181687457952 ] forces: - [ 0.0000319700000000, -0.0008535500000000, -0.0014725300000000 ] - [ -0.0000421100000000, 0.0000000000000000, -0.0000588500000000 ] - [ 0.0000319700000000, 0.0008535500000000, -0.0014725300000000 ] - [ -0.0019771300000000, 0.0006361300000000, 0.0001178900000000 ] - [ -0.0003636900000000, 0.0000000000000000, 0.0000659000000000 ] - [ -0.0019771300000000, -0.0006361300000000, 0.0001178900000000 ] - [ 0.0010382400000000, 0.0001709700000000, -0.0006966200000000 ] - [ -0.0002685700000000, 0.0000000000000000, -0.0001470100000000 ] - [ 0.0010382400000000, -0.0001709700000000, -0.0006966200000000 ] - [ -0.0003670900000000, -0.0000383400000000, 0.0010501300000000 ] - [ -0.0005289600000000, 0.0000000000000000, 0.0001740400000000 ] - [ -0.0003670900000000, 0.0000383400000000, 0.0010501300000000 ] - [ 0.0009877000000000, 0.0000000000000000, -0.0005372100000000 ] - [ 0.0003872200000000, -0.0001248100000000, -0.0002179400000000 ] - [ 0.0003872200000000, 0.0001248100000000, -0.0002179400000000 ] - [ -0.0047820400000000, 0.0000000000000000, 0.0032604400000000 ] - [ -0.0004478500000000, -0.0007816400000000, -0.0000678200000000 ] - [ -0.0004478500000000, 0.0007816400000000, -0.0000678200000000 ] - [ -0.0061748000000000, -0.0050618800000000, 0.0004695800000000 ] - [ -0.0003604100000000, 0.0000000000000000, 0.0000197500000000 ] - [ -0.0061748000000000, 0.0050618800000000, 0.0004695800000000 ] - [ 0.0000413300000000, -0.0000910100000000, -0.0002696900000000 ] - [ 0.0000147100000000, 0.0000000000000000, -0.0000657100000000 ] - [ 0.0000413300000000, 0.0000910100000000, -0.0002696900000000 ] - [ -0.0144446100000000, 0.0000000000000000, 0.0046019300000000 ] - [ -0.0009850500000000, -0.0010419800000000, -0.0004966800000000 ] - [ -0.0009850500000000, 0.0010419800000000, -0.0004966800000000 ] - [ -0.0007850100000000, 0.0000000000000000, -0.0022455700000000 ] - [ -0.0003754900000000, -0.0001015300000000, -0.0007268800000000 ] - [ -0.0003754900000000, 0.0001015300000000, -0.0007268800000000 ] - [ 0.0003272900000000, 0.0000000000000000, 0.0038489600000000 ] - [ -0.0000252500000000, 0.0000924900000000, 0.0003260000000000 ] - [ -0.0000252500000000, -0.0000924900000000, 0.0003260000000000 ] - [ 0.0011217200000000, 0.0000000000000000, 0.0008695700000000 ] - [ 0.0005736800000000, -0.0002518800000000, -0.0000357800000000 ] - [ 0.0005736800000000, 0.0002518800000000, -0.0000357800000000 ] - [ -0.0114143000000000, 0.0000000000000000, -0.0052351200000000 ] - [ -0.0008580100000000, 0.0000344700000000, 0.0003030200000000 ] - [ -0.0008580100000000, -0.0000344700000000, 0.0003030200000000 ] - [ 0.0004245200000000, 0.0000000000000000, -0.0009982800000000 ] - [ -0.0003213000000000, 0.0000837400000000, -0.0004891500000000 ] - [ -0.0003213000000000, -0.0000837400000000, -0.0004891500000000 ] - [ 0.0000109900000000, 0.0001531500000000, 0.0003736400000000 ] - [ 0.0001971400000000, 0.0000000000000000, 0.0000588000000000 ] - [ 0.0000109900000000, -0.0001531500000000, 0.0003736400000000 ] - [ 0.0019007400000000, 0.0001390100000000, -0.0002819300000000 ] - [ 0.0005952800000000, 0.0000000000000000, 0.0000948600000000 ] - [ 0.0019007400000000, -0.0001390100000000, -0.0002819300000000 ] - [ 0.0037572900000000, 0.0000000000000000, -0.0018725700000000 ] - [ 0.0006716200000000, -0.0001066000000000, 0.0001914200000000 ] - [ 0.0006716200000000, 0.0001066000000000, 0.0001914200000000 ] - [ -0.0000483600000000, 0.0000000000000000, 0.0002213000000000 ] - [ -0.0001109300000000, -0.0000037900000000, 0.0001179600000000 ] - [ -0.0001109300000000, 0.0000037900000000, 0.0001179600000000 ] - [ 0.0012473600000000, 0.0024622900000000, -0.0001086300000000 ] - [ -0.0000113500000000, 0.0000000000000000, -0.0004661900000000 ] - [ 0.0012473600000000, -0.0024622900000000, -0.0001086300000000 ] - [ -0.0002459800000000, 0.0000461200000000, -0.0002116700000000 ] - [ -0.0002770500000000, 0.0000000000000000, -0.0004313900000000 ] - [ -0.0002459800000000, -0.0000461200000000, -0.0002116700000000 ] - [ -0.0023262600000000, 0.0001930700000000, 0.0012106000000000 ] - [ -0.0013940100000000, 0.0000000000000000, 0.0005217800000000 ] - [ -0.0023262600000000, -0.0001930700000000, 0.0012106000000000 ] - [ -0.0015784400000000, 0.0046112000000000, -0.0040788300000000 ] - [ -0.0004058100000000, 0.0000000000000000, 0.0000634900000000 ] - [ -0.0015784400000000, -0.0046112000000000, -0.0040788300000000 ] - [ -0.0001091000000000, 0.0000000000000000, 0.0005716700000000 ] - [ 0.0000534900000000, -0.0001811600000000, 0.0007180700000000 ] - [ 0.0000534900000000, 0.0001811600000000, 0.0007180700000000 ] - [ -0.0088201000000000, 0.0000000000000000, -0.0022697300000000 ] - [ -0.0004320100000000, 0.0019467600000000, 0.0004744100000000 ] - [ -0.0004320100000000, -0.0019467600000000, 0.0004744100000000 ] - [ 0.0016356100000000, 0.0000000000000000, 0.0095114600000000 ] - [ 0.0010618000000000, 0.0004270100000000, 0.0009739400000000 ] - [ 0.0010618000000000, -0.0004270100000000, 0.0009739400000000 ] - [ 0.0044914800000000, 0.0000000000000000, 0.0041226300000000 ] - [ 0.0017711900000000, -0.0005872100000000, 0.0011826200000000 ] - [ 0.0017711900000000, 0.0005872100000000, 0.0011826200000000 ] - [ -0.0065713400000000, 0.0072581700000000, 0.0011290500000000 ] - [ 0.0001417000000000, 0.0000000000000000, -0.0001181300000000 ] - [ -0.0065713400000000, -0.0072581700000000, 0.0011290500000000 ] - [ 0.0003841000000000, -0.0003735600000000, 0.0002014600000000 ] - [ -0.0000071200000000, 0.0000000000000000, 0.0000064700000000 ] - [ 0.0003841000000000, 0.0003735600000000, 0.0002014600000000 ] - [ 0.1646801600000000, 0.0000000000000000, -0.0516837100000000 ] - [ 0.0030264600000000, 0.0002717300000000, -0.0010167700000000 ] - [ 0.0030264600000000, -0.0002717300000000, -0.0010167700000000 ] - [ -0.0002199800000000, 0.0000000000000000, 0.0018428200000000 ] - [ 0.0008269400000000, 0.0000682800000000, -0.0001144200000000 ] - [ 0.0008269400000000, -0.0000682800000000, -0.0001144200000000 ] - [ 0.0010876700000000, 0.0000000000000000, -0.0017396500000000 ] - [ -0.0005546000000000, -0.0000196700000000, -0.0000148700000000 ] - [ -0.0005546000000000, 0.0000196700000000, -0.0000148700000000 ] - [ -0.0073202300000000, 0.0000000000000000, 0.0038841900000000 ] - [ -0.0023711800000000, -0.0008683400000000, 0.0007940000000000 ] - [ -0.0023711800000000, 0.0008683400000000, 0.0007940000000000 ] - [ 0.0005465900000000, 0.0008122500000000, 0.0011787700000000 ] - [ 0.0002469700000000, 0.0000000000000000, 0.0008722500000000 ] - [ 0.0005465900000000, -0.0008122500000000, 0.0011787700000000 ] - [ -0.0009575400000000, -0.0089174500000000, 0.0031409300000000 ] - [ 0.0003897400000000, 0.0000000000000000, 0.0007092000000000 ] - [ -0.0009575400000000, 0.0089174500000000, 0.0031409300000000 ] - [ -0.0003835500000000, -0.0009993600000000, -0.0012625400000000 ] - [ 0.0004748000000000, 0.0000000000000000, 0.0001269800000000 ] - [ -0.0003835500000000, 0.0009993600000000, -0.0012625400000000 ] - [ -0.0007567400000000, 0.0006481300000000, -0.0002678900000000 ] - [ 0.0000534500000000, 0.0000000000000000, 0.0000882700000000 ] - [ -0.0007567400000000, -0.0006481300000000, -0.0002678900000000 ] - [ -0.0149993600000000, 0.0000000000000000, -0.0040032800000000 ] - [ -0.0005863200000000, -0.0008049200000000, -0.0009327500000000 ] - [ -0.0005863200000000, 0.0008049200000000, -0.0009327500000000 ] - [ -0.0003940300000000, 0.0000000000000000, -0.0006406200000000 ] - [ -0.0002661500000000, 0.0001540100000000, -0.0001675000000000 ] - [ -0.0002661500000000, -0.0001540100000000, -0.0001675000000000 ] - [ -0.0028482100000000, -0.0002793700000000, 0.0001670900000000 ] - [ 0.0002074700000000, 0.0000000000000000, -0.0003564200000000 ] - [ -0.0028482100000000, 0.0002793700000000, 0.0001670900000000 ] - [ 0.0014841300000000, -0.0000056000000000, -0.0011567600000000 ] - [ 0.0013256200000000, 0.0000000000000000, -0.0006686400000000 ] - [ 0.0014841300000000, 0.0000056000000000, -0.0011567600000000 ] - [ 0.0008192500000000, -0.0000160900000000, 0.0002747200000000 ] - [ -0.0000946800000000, 0.0000000000000000, -0.0003480700000000 ] - [ 0.0008192500000000, 0.0000160900000000, 0.0002747200000000 ] - [ 0.0075207200000000, -0.0068920000000000, 0.0029385600000000 ] - [ 0.0000369700000000, 0.0000000000000000, -0.0002000900000000 ] - [ 0.0075207200000000, 0.0068920000000000, 0.0029385600000000 ] - [ -0.0032569500000000, 0.0000000000000000, -0.0031686500000000 ] - [ -0.0003930700000000, -0.0004534600000000, -0.0006369600000000 ] - [ -0.0003930700000000, 0.0004534600000000, -0.0006369600000000 ] - [ -0.0917758400000000, 0.0000000000000000, 0.0360183400000000 ] - [ -0.0015203300000000, 0.0061563700000000, 0.0002406400000000 ] - [ -0.0015203300000000, -0.0061563700000000, 0.0002406400000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004897200000000, -0.0000315500000000, -0.0013409900000000 ] - [ -0.0000570300000000, -0.0003896400000000, 0.0000328200000000 ] - [ -0.0005936800000000, -0.0000368300000000, 0.0014017500000000 ] - [ -0.0001494300000000, 0.0001825300000000, 0.0018860700000000 ] - [ -0.0000557500000000, -0.0008270100000000, 0.0000340700000000 ] - [ 0.0000406000000000, 0.0001739600000000, -0.0018127600000000 ] - [ 0.0001081700000000, 0.0002081400000000, -0.0004764100000000 ] - [ -0.0004461000000000, -0.0002753500000000, -0.0000008600000000 ] - [ -0.0010027000000000, 0.0002071900000000, 0.0004771700000000 ] - [ -0.0002157200000000, 0.0002174000000000, 0.0008025700000000 ] - [ -0.0004456400000000, -0.0002823400000000, -0.0000002900000000 ] - [ -0.0006787400000000, 0.0002154400000000, -0.0008041300000000 ] - [ 0.0002778900000000, 0.0002733500000000, -0.0000069000000000 ] - [ 0.0003774700000000, -0.0001655500000000, -0.0001224500000000 ] - [ 0.0001814500000000, -0.0001682200000000, 0.0001034500000000 ] - [ 0.0002787600000000, 0.0073539900000000, -0.0000013300000000 ] - [ 0.0004618300000000, -0.0010353400000000, 0.0002247900000000 ] - [ 0.0000981900000000, -0.0010343900000000, -0.0002382200000000 ] - [ 0.0018561300000000, -0.0020528700000000, 0.0004999200000000 ] - [ -0.0000542700000000, -0.0011885300000000, 0.0000319700000000 ] - [ -0.0020273900000000, -0.0026467900000000, -0.0005130500000000 ] - [ -0.0000977600000000, 0.0001456700000000, 0.0000542100000000 ] - [ -0.0000551700000000, -0.0002738200000000, 0.0000325000000000 ] - [ -0.0000159300000000, 0.0001444700000000, 0.0000083300000000 ] - [ -0.0002610300000000, 0.0041674100000000, -0.0004995600000000 ] - [ -0.0000202100000000, -0.0009436700000000, -0.0008722000000000 ] - [ -0.0005679200000000, -0.0009428100000000, -0.0000858100000000 ] - [ -0.0003003500000000, 0.0001635300000000, -0.0004849800000000 ] - [ -0.0002353900000000, -0.0001403600000000, -0.0000368200000000 ] - [ -0.0003625100000000, -0.0001409500000000, -0.0009179900000000 ] - [ -0.0000568200000000, 0.0001983400000000, 0.0000369000000000 ] - [ -0.0002108200000000, -0.0001112000000000, -0.0003641300000000 ] - [ 0.0000977500000000, -0.0001105100000000, 0.0004286600000000 ] - [ -0.0000552200000000, 0.0005025300000000, 0.0000326500000000 ] - [ -0.0002321300000000, -0.0002414100000000, 0.0003538500000000 ] - [ 0.0001165600000000, -0.0002397900000000, -0.0002861000000000 ] - [ -0.0004559800000000, 0.0072700200000000, -0.0000188200000000 ] - [ -0.0005255300000000, -0.0007890700000000, -0.0006855500000000 ] - [ -0.0003667400000000, -0.0007833700000000, 0.0006809300000000 ] - [ -0.0004415000000000, 0.0003716500000000, -0.0000022200000000 ] - [ -0.0005830200000000, -0.0002226100000000, 0.0004755200000000 ] - [ -0.0003065700000000, -0.0002226300000000, -0.0004704400000000 ] - [ 0.0001467700000000, 0.0001239000000000, -0.0003397000000000 ] - [ 0.0002763000000000, -0.0003218300000000, -0.0000116900000000 ] - [ 0.0004104400000000, 0.0001222600000000, 0.0003203200000000 ] - [ -0.0008534200000000, 0.0005167900000000, 0.0004330500000000 ] - [ 0.0002766800000000, -0.0008809200000000, -0.0000094800000000 ] - [ 0.0014096100000000, 0.0005097000000000, -0.0004506000000000 ] - [ -0.0000573800000000, 0.0006643900000000, 0.0000276400000000 ] - [ -0.0002713000000000, -0.0003845400000000, -0.0001052300000000 ] - [ 0.0001552700000000, -0.0003868700000000, 0.0001663100000000 ] - [ -0.0000574200000000, 0.0002289200000000, 0.0000300500000000 ] - [ -0.0000991100000000, -0.0001182000000000, 0.0000321400000000 ] - [ -0.0000141300000000, -0.0001187500000000, 0.0000307600000000 ] - [ -0.0015226300000000, 0.0003500600000000, -0.0014243900000000 ] - [ -0.0002981000000000, -0.0008105100000000, -0.0004798400000000 ] - [ 0.0009164200000000, 0.0003431100000000, 0.0004659000000000 ] - [ -0.0002712800000000, 0.0001129500000000, -0.0002396500000000 ] - [ -0.0002972100000000, -0.0002269700000000, -0.0004790100000000 ] - [ -0.0003248400000000, 0.0001114100000000, -0.0007142400000000 ] - [ -0.0012693300000000, -0.0002083800000000, 0.0007384700000000 ] - [ -0.0010705700000000, 0.0003407800000000, 0.0002898800000000 ] - [ -0.0008728200000000, -0.0002025800000000, -0.0001533300000000 ] - [ -0.0056961600000000, 0.0030831000000000, -0.0042461700000000 ] - [ -0.0010696700000000, 0.0012026800000000, 0.0002873500000000 ] - [ 0.0035261100000000, 0.0030761100000000, 0.0047963200000000 ] - [ 0.0001822600000000, -0.0011085400000000, 0.0007823800000000 ] - [ 0.0001665000000000, 0.0005285900000000, 0.0007765000000000 ] - [ 0.0001927400000000, 0.0005331900000000, 0.0007843800000000 ] - [ 0.0001881300000000, -0.0046616600000000, 0.0007849400000000 ] - [ -0.0002492800000000, 0.0022484000000000, 0.0006788000000000 ] - [ 0.0006109900000000, 0.0022550900000000, 0.0008857300000000 ] - [ 0.0006678900000000, -0.0027462100000000, 0.0004133100000000 ] - [ 0.0006530700000000, 0.0005425700000000, 0.0012322200000000 ] - [ 0.0006740600000000, 0.0005368600000000, -0.0003840400000000 ] - [ 0.0006451900000000, -0.0042570000000000, 0.0004298800000000 ] - [ 0.0004467400000000, 0.0013061200000000, -0.0005315400000000 ] - [ 0.0008795200000000, 0.0012988000000000, 0.0013708200000000 ] - [ -0.0063659100000000, 0.0026267500000000, 0.0007837300000000 ] - [ -0.0001601600000000, 0.0010504800000000, -0.0002470400000000 ] - [ 0.0060303300000000, 0.0026331900000000, -0.0012748500000000 ] - [ -0.0000756500000000, -0.0003111700000000, -0.0008308200000000 ] - [ -0.0001590400000000, 0.0005188600000000, -0.0002465000000000 ] - [ -0.0002386200000000, -0.0003039400000000, 0.0003306500000000 ] - [ 0.0013348900000000, -0.0408839900000000, -0.0004438000000000 ] - [ 0.0013958100000000, 0.0029738600000000, -0.0006331000000000 ] - [ 0.0008313600000000, 0.0029579700000000, -0.0003907000000000 ] - [ 0.0011103400000000, -0.0002722900000000, -0.0005109800000000 ] - [ 0.0011895400000000, 0.0001721100000000, -0.0006730100000000 ] - [ 0.0010469800000000, 0.0001784000000000, -0.0003530200000000 ] - [ -0.0010737800000000, -0.0007792500000000, 0.0002891500000000 ] - [ -0.0010552900000000, 0.0002710200000000, 0.0007089800000000 ] - [ -0.0010917800000000, 0.0002781200000000, -0.0001202300000000 ] - [ -0.0010936400000000, -0.0015834700000000, 0.0003071700000000 ] - [ -0.0002014500000000, 0.0016486700000000, -0.0001647400000000 ] - [ -0.0019344400000000, 0.0016504300000000, 0.0007410400000000 ] - [ 0.0001394900000000, -0.0006490100000000, 0.0009912700000000 ] - [ 0.0001788800000000, 0.0011871000000000, 0.0007810800000000 ] - [ 0.0002192400000000, -0.0006416800000000, 0.0005719600000000 ] - [ 0.0085902300000000, 0.0063858400000000, -0.0042949400000000 ] - [ 0.0001803700000000, 0.0034929400000000, 0.0007813600000000 ] - [ -0.0081312300000000, 0.0063040300000000, 0.0057907200000000 ] - [ 0.0007710500000000, -0.0002936400000000, 0.0008087300000000 ] - [ 0.0006663700000000, 0.0005100800000000, 0.0004191400000000 ] - [ 0.0005620000000000, -0.0002936900000000, 0.0000442000000000 ] - [ -0.0001048600000000, -0.0005027000000000, 0.0000434800000000 ] - [ 0.0006674500000000, 0.0009316300000000, 0.0004194200000000 ] - [ 0.0014320900000000, -0.0005032100000000, 0.0008065400000000 ] - [ -0.0001741700000000, -0.0051982300000000, -0.0002466300000000 ] - [ 0.0005570800000000, 0.0012766600000000, 0.0005623400000000 ] - [ -0.0008699400000000, 0.0012635800000000, -0.0010543200000000 ] - [ -0.0001615900000000, -0.0004305000000000, -0.0002574400000000 ] - [ -0.0001308000000000, 0.0002094700000000, -0.0005610500000000 ] - [ -0.0001853700000000, 0.0002066100000000, 0.0000609600000000 ] - [ 0.0008396200000000, -0.0006331400000000, -0.0006891200000000 ] - [ 0.0011155600000000, 0.0010298200000000, -0.0005074600000000 ] - [ 0.0014014600000000, -0.0006201000000000, -0.0003382800000000 ] - [ 0.0011152400000000, -0.0001588100000000, -0.0007507500000000 ] - [ 0.0011166000000000, 0.0003075900000000, -0.0005085400000000 ] - [ 0.0011196300000000, -0.0001557400000000, -0.0002789600000000 ] - [ 0.0000564600000000, 0.0003968200000000, -0.0002957900000000 ] - [ -0.0001534200000000, -0.0008114900000000, -0.0003117900000000 ] - [ -0.0003691600000000, 0.0003934200000000, -0.0003246600000000 ] - [ 0.0051904800000000, 0.0013163000000000, 0.0012349600000000 ] - [ -0.0001548700000000, -0.0035347500000000, -0.0003077500000000 ] - [ -0.0054955200000000, 0.0012968000000000, -0.0018717200000000 ] - [ -0.0001462800000000, 0.0011163500000000, -0.0003027300000000 ] - [ -0.0002316300000000, -0.0005602000000000, -0.0007774000000000 ] - [ -0.0000716300000000, -0.0005630100000000, 0.0001507600000000 ] - [ -0.0003604300000000, 0.0218570300000000, -0.0001874600000000 ] - [ -0.0007272600000000, -0.0084381300000000, -0.0000242700000000 ] - [ 0.0004218500000000, -0.0084215400000000, -0.0005920900000000 ]- atom: 85 displacement: [ -0.0033530628758559, 0.0000000000000000, 0.0094210917281681 ] forces: - [ 0.0011318900000000, -0.0017595200000000, -0.0011445800000000 ] - [ 0.0000268800000000, 0.0000000000000000, 0.0001234900000000 ] - [ 0.0011318900000000, 0.0017595200000000, -0.0011445800000000 ] - [ -0.0009473600000000, 0.0023319800000000, -0.0007913900000000 ] - [ -0.0002548400000000, 0.0000000000000000, -0.0000593000000000 ] - [ -0.0009473600000000, -0.0023319800000000, -0.0007913900000000 ] - [ 0.0003513800000000, -0.0001089100000000, -0.0002948300000000 ] - [ -0.0003414700000000, 0.0000000000000000, 0.0000582000000000 ] - [ 0.0003513800000000, 0.0001089100000000, -0.0002948300000000 ] - [ -0.0008026800000000, 0.0001662400000000, -0.0003112600000000 ] - [ -0.0004992800000000, 0.0000000000000000, -0.0000621700000000 ] - [ -0.0008026800000000, -0.0001662400000000, -0.0003112600000000 ] - [ 0.0015384600000000, 0.0000000000000000, -0.0008178800000000 ] - [ 0.0004248800000000, -0.0001625000000000, -0.0001739200000000 ] - [ 0.0004248800000000, 0.0001625000000000, -0.0001739200000000 ] - [ -0.0021039000000000, 0.0000000000000000, 0.0100120300000000 ] - [ 0.0000212100000000, 0.0002071200000000, 0.0001864200000000 ] - [ 0.0000212100000000, -0.0002071200000000, 0.0001864200000000 ] - [ -0.0019296000000000, -0.0028391900000000, 0.0068551400000000 ] - [ -0.0002285200000000, 0.0000000000000000, 0.0000940900000000 ] - [ -0.0019296000000000, 0.0028391900000000, 0.0068551400000000 ] - [ 0.0003499800000000, -0.0000885100000000, -0.0006569400000000 ] - [ 0.0000432700000000, 0.0000000000000000, -0.0000872900000000 ] - [ 0.0003499800000000, 0.0000885100000000, -0.0006569400000000 ] - [ -0.0101643600000000, 0.0000000000000000, 0.0074480900000000 ] - [ -0.0006780000000000, -0.0007603400000000, -0.0001872300000000 ] - [ -0.0006780000000000, 0.0007603400000000, -0.0001872300000000 ] - [ -0.0010679900000000, 0.0000000000000000, -0.0041621300000000 ] - [ -0.0002102800000000, 0.0000969200000000, -0.0008882600000000 ] - [ -0.0002102800000000, -0.0000969200000000, -0.0008882600000000 ] - [ -0.0008254100000000, 0.0000000000000000, 0.0012051100000000 ] - [ -0.0000988000000000, -0.0001420300000000, 0.0003706500000000 ] - [ -0.0000988000000000, 0.0001420300000000, 0.0003706500000000 ] - [ 0.0001986700000000, 0.0000000000000000, -0.0000286700000000 ] - [ 0.0002291600000000, -0.0000038500000000, -0.0002174200000000 ] - [ 0.0002291600000000, 0.0000038500000000, -0.0002174200000000 ] - [ -0.0017278100000000, 0.0000000000000000, 0.0075238500000000 ] - [ -0.0007862300000000, -0.0005251600000000, 0.0003888500000000 ] - [ -0.0007862300000000, 0.0005251600000000, 0.0003888500000000 ] - [ 0.0019843100000000, 0.0000000000000000, -0.0015663500000000 ] - [ -0.0002843900000000, 0.0001079500000000, -0.0005709800000000 ] - [ -0.0002843900000000, -0.0001079500000000, -0.0005709800000000 ] - [ -0.0003156300000000, -0.0006255900000000, -0.0003952300000000 ] - [ 0.0001538000000000, 0.0000000000000000, 0.0000313200000000 ] - [ -0.0003156300000000, 0.0006255900000000, -0.0003952300000000 ] - [ 0.0013405100000000, 0.0000742300000000, 0.0000463800000000 ] - [ 0.0004679100000000, 0.0000000000000000, 0.0000499100000000 ] - [ 0.0013405100000000, -0.0000742300000000, 0.0000463800000000 ] - [ 0.0009329600000000, 0.0000000000000000, 0.0001705200000000 ] - [ 0.0003815500000000, -0.0001462800000000, 0.0002647500000000 ] - [ 0.0003815500000000, 0.0001462800000000, 0.0002647500000000 ] - [ -0.0004858600000000, 0.0000000000000000, -0.0005545400000000 ] - [ -0.0001839200000000, -0.0000182000000000, -0.0000756300000000 ] - [ -0.0001839200000000, 0.0000182000000000, -0.0000756300000000 ] - [ -0.0001427000000000, 0.0000266600000000, 0.0002024300000000 ] - [ -0.0001466700000000, 0.0000000000000000, -0.0003620000000000 ] - [ -0.0001427000000000, -0.0000266600000000, 0.0002024300000000 ] - [ -0.0004395900000000, -0.0000664200000000, -0.0008545800000000 ] - [ -0.0003322300000000, 0.0000000000000000, -0.0006128400000000 ] - [ -0.0004395900000000, 0.0000664200000000, -0.0008545800000000 ] - [ -0.0023613200000000, 0.0004841600000000, 0.0013958500000000 ] - [ -0.0013979100000000, 0.0000000000000000, 0.0004332000000000 ] - [ -0.0023613200000000, -0.0004841600000000, 0.0013958500000000 ] - [ 0.0028742000000000, -0.0027247600000000, -0.0003857900000000 ] - [ -0.0006341300000000, 0.0000000000000000, 0.0000858400000000 ] - [ 0.0028742000000000, 0.0027247600000000, -0.0003857900000000 ] - [ 0.0002823700000000, 0.0000000000000000, 0.0013385600000000 ] - [ 0.0001553400000000, 0.0000337700000000, 0.0010039800000000 ] - [ 0.0001553400000000, -0.0000337700000000, 0.0010039800000000 ] - [ -0.0016624700000000, 0.0000000000000000, -0.0018798000000000 ] - [ 0.0001691700000000, 0.0007274500000000, 0.0000732700000000 ] - [ 0.0001691700000000, -0.0007274500000000, 0.0000732700000000 ] - [ -0.0033680300000000, 0.0000000000000000, 0.0155854700000000 ] - [ 0.0006865800000000, 0.0006775000000000, 0.0006074900000000 ] - [ 0.0006865800000000, -0.0006775000000000, 0.0006074900000000 ] - [ -0.0041527700000000, 0.0000000000000000, 0.0125041300000000 ] - [ 0.0010467700000000, -0.0007047400000000, 0.0009399300000000 ] - [ 0.0010467700000000, 0.0007047400000000, 0.0009399300000000 ] - [ -0.0060429800000000, 0.0053899200000000, -0.0022342100000000 ] - [ -0.0001114000000000, 0.0000000000000000, -0.0005570300000000 ] - [ -0.0060429800000000, -0.0053899200000000, -0.0022342100000000 ] - [ 0.0005118300000000, -0.0007482400000000, 0.0017985900000000 ] - [ -0.0000560000000000, 0.0000000000000000, 0.0002253000000000 ] - [ 0.0005118300000000, 0.0007482400000000, 0.0017985900000000 ] - [ 0.1045712100000000, 0.0000000000000000, -0.1098430000000000 ] - [ 0.0022329100000000, 0.0002023900000000, -0.0015522200000000 ] - [ 0.0022329100000000, -0.0002023900000000, -0.0015522200000000 ] - [ -0.0015535900000000, 0.0000000000000000, 0.0040882500000000 ] - [ 0.0006448100000000, 0.0001706600000000, 0.0000685700000000 ] - [ 0.0006448100000000, -0.0001706600000000, 0.0000685700000000 ] - [ 0.0015587800000000, 0.0000000000000000, 0.0030977000000000 ] - [ -0.0006091100000000, 0.0003878600000000, 0.0002086100000000 ] - [ -0.0006091100000000, -0.0003878600000000, 0.0002086100000000 ] - [ -0.0065536400000000, 0.0000000000000000, 0.0016878300000000 ] - [ -0.0019850200000000, -0.0007246500000000, 0.0006565500000000 ] - [ -0.0019850200000000, 0.0007246500000000, 0.0006565500000000 ] - [ 0.0003043200000000, 0.0021466800000000, 0.0019378000000000 ] - [ 0.0001933000000000, 0.0000000000000000, 0.0009476700000000 ] - [ 0.0003043200000000, -0.0021466800000000, 0.0019378000000000 ] - [ -0.0019852000000000, -0.0070760300000000, -0.0006961400000000 ] - [ 0.0003102000000000, 0.0000000000000000, 0.0006029800000000 ] - [ -0.0019852000000000, 0.0070760300000000, -0.0006961400000000 ] - [ 0.0005988000000000, 0.0000195200000000, 0.0000116000000000 ] - [ 0.0005853600000000, 0.0000000000000000, 0.0000598700000000 ] - [ 0.0005988000000000, -0.0000195200000000, 0.0000116000000000 ] - [ 0.0008563600000000, 0.0002322100000000, 0.0005512300000000 ] - [ 0.0003506100000000, 0.0000000000000000, 0.0004736900000000 ] - [ 0.0008563600000000, -0.0002322100000000, 0.0005512300000000 ] - [ 0.0029939300000000, 0.0000000000000000, -0.0057870900000000 ] - [ -0.0004531600000000, -0.0003934600000000, -0.0013440300000000 ] - [ -0.0004531600000000, 0.0003934600000000, -0.0013440300000000 ] - [ -0.0003984300000000, 0.0000000000000000, 0.0007280700000000 ] - [ -0.0000429000000000, 0.0002209300000000, 0.0003808700000000 ] - [ -0.0000429000000000, -0.0002209300000000, 0.0003808700000000 ] - [ -0.0008570500000000, 0.0000647400000000, -0.0010002700000000 ] - [ 0.0006655000000000, 0.0000000000000000, -0.0005807000000000 ] - [ -0.0008570500000000, -0.0000647400000000, -0.0010002700000000 ] - [ 0.0018465000000000, 0.0002218300000000, -0.0001725100000000 ] - [ 0.0013352900000000, 0.0000000000000000, -0.0004655700000000 ] - [ 0.0018465000000000, -0.0002218300000000, -0.0001725100000000 ] - [ -0.0000956400000000, -0.0002866100000000, -0.0018467100000000 ] - [ -0.0001118300000000, 0.0000000000000000, -0.0004206500000000 ] - [ -0.0000956400000000, 0.0002866100000000, -0.0018467100000000 ] - [ 0.0005849300000000, -0.0018866200000000, 0.0052866300000000 ] - [ 0.0000086300000000, 0.0000000000000000, -0.0001444700000000 ] - [ 0.0005849300000000, 0.0018866200000000, 0.0052866300000000 ] - [ -0.0015926300000000, 0.0000000000000000, -0.0086344000000000 ] - [ -0.0001865900000000, -0.0015350000000000, -0.0009802500000000 ] - [ -0.0001865900000000, 0.0015350000000000, -0.0009802500000000 ] - [ -0.0667639100000000, 0.0000000000000000, 0.0539687100000000 ] - [ -0.0011381300000000, 0.0047581500000000, 0.0005797800000000 ] - [ -0.0011381300000000, -0.0047581500000000, 0.0005797800000000 ]- atom: 85 displacement: [ 0.0033530628758559, 0.0000000000000000, -0.0094210917281681 ] forces: - [ -0.0012436800000000, 0.0017526100000000, 0.0012212200000000 ] - [ -0.0001491500000000, 0.0000000000000000, -0.0000475600000000 ] - [ -0.0012436800000000, -0.0017526100000000, 0.0012212200000000 ] - [ 0.0008359300000000, -0.0023546900000000, 0.0008560500000000 ] - [ 0.0001343400000000, 0.0000000000000000, 0.0001327400000000 ] - [ 0.0008359300000000, 0.0023546900000000, 0.0008560500000000 ] - [ -0.0012446800000000, 0.0001096700000000, 0.0002999900000000 ] - [ -0.0005503800000000, 0.0000000000000000, -0.0000567700000000 ] - [ -0.0012446800000000, -0.0001096700000000, 0.0002999900000000 ] - [ -0.0000872100000000, -0.0001692400000000, 0.0003033400000000 ] - [ -0.0003923500000000, 0.0000000000000000, 0.0000597700000000 ] - [ -0.0000872100000000, 0.0001692400000000, 0.0003033400000000 ] - [ -0.0009827600000000, 0.0000000000000000, 0.0008080000000000 ] - [ 0.0001325300000000, 0.0001624500000000, 0.0001622500000000 ] - [ 0.0001325300000000, -0.0001624500000000, 0.0001622500000000 ] - [ 0.0024451500000000, 0.0000000000000000, -0.0104887500000000 ] - [ 0.0005373000000000, -0.0002020100000000, -0.0002007600000000 ] - [ 0.0005373000000000, 0.0002020100000000, -0.0002007600000000 ] - [ 0.0018134300000000, 0.0029014600000000, -0.0067889900000000 ] - [ 0.0001141800000000, 0.0000000000000000, -0.0000359100000000 ] - [ 0.0018134300000000, -0.0029014600000000, -0.0067889900000000 ] - [ -0.0004634000000000, 0.0000848000000000, 0.0007180700000000 ] - [ -0.0001543700000000, 0.0000000000000000, 0.0001456200000000 ] - [ -0.0004634000000000, -0.0000848000000000, 0.0007180700000000 ] - [ 0.0087161300000000, 0.0000000000000000, -0.0080842300000000 ] - [ 0.0000934500000000, 0.0007641000000000, -0.0007746100000000 ] - [ 0.0000934500000000, -0.0007641000000000, -0.0007746100000000 ] - [ 0.0004908100000000, 0.0000000000000000, 0.0032231100000000 ] - [ -0.0003781300000000, -0.0000982400000000, -0.0000778900000000 ] - [ -0.0003781300000000, 0.0000982400000000, -0.0000778900000000 ] - [ 0.0007017300000000, 0.0000000000000000, -0.0011186900000000 ] - [ -0.0000198900000000, 0.0001427500000000, -0.0002959500000000 ] - [ -0.0000198900000000, -0.0001427500000000, -0.0002959500000000 ] - [ -0.0003272100000000, 0.0000000000000000, 0.0000961100000000 ] - [ -0.0003531800000000, 0.0000047200000000, 0.0002903000000000 ] - [ -0.0003531800000000, -0.0000047200000000, 0.0002903000000000 ] - [ 0.0011830600000000, 0.0000000000000000, -0.0068986500000000 ] - [ -0.0001052400000000, 0.0005249500000000, -0.0003859700000000 ] - [ -0.0001052400000000, -0.0005249500000000, -0.0003859700000000 ] - [ -0.0028975900000000, 0.0000000000000000, 0.0015724500000000 ] - [ -0.0006076400000000, -0.0001089500000000, 0.0005683600000000 ] - [ -0.0006076400000000, 0.0001089500000000, 0.0005683600000000 ] - [ 0.0008699000000000, 0.0006246400000000, 0.0003814000000000 ] - [ 0.0004021700000000, 0.0000000000000000, -0.0000459600000000 ] - [ 0.0008699000000000, -0.0006246400000000, 0.0003814000000000 ] - [ -0.0007861800000000, -0.0000773800000000, -0.0000634500000000 ] - [ 0.0000900300000000, 0.0000000000000000, -0.0000646000000000 ] - [ -0.0007861800000000, 0.0000773800000000, -0.0000634500000000 ] - [ -0.0010508300000000, 0.0000000000000000, -0.0001236000000000 ] - [ -0.0004944300000000, 0.0001491200000000, -0.0002056900000000 ] - [ -0.0004944300000000, -0.0001491200000000, -0.0002056900000000 ] - [ 0.0003730800000000, 0.0000000000000000, 0.0006128500000000 ] - [ 0.0000720500000000, 0.0000179400000000, 0.0001332600000000 ] - [ 0.0000720500000000, -0.0000179400000000, 0.0001332600000000 ] - [ -0.0004420000000000, -0.0000167300000000, -0.0011626300000000 ] - [ -0.0004386200000000, 0.0000000000000000, -0.0006027500000000 ] - [ -0.0004420000000000, 0.0000167300000000, -0.0011626300000000 ] - [ -0.0001485400000000, 0.0000640900000000, -0.0001140000000000 ] - [ -0.0002566400000000, 0.0000000000000000, -0.0003546900000000 ] - [ -0.0001485400000000, -0.0000640900000000, -0.0001140000000000 ] - [ 0.0002198000000000, -0.0004848600000000, -0.0008181300000000 ] - [ -0.0007475200000000, 0.0000000000000000, 0.0001487500000000 ] - [ 0.0002198000000000, 0.0004848600000000, -0.0008181300000000 ] - [ -0.0050114300000000, 0.0027051200000000, 0.0010060300000000 ] - [ -0.0015035600000000, 0.0000000000000000, 0.0004939900000000 ] - [ -0.0050114300000000, -0.0027051200000000, 0.0010060300000000 ] - [ 0.0000771400000000, 0.0000000000000000, 0.0002188200000000 ] - [ 0.0002047400000000, -0.0000291300000000, 0.0005566300000000 ] - [ 0.0002047400000000, 0.0000291300000000, 0.0005566300000000 ] - [ 0.0020711200000000, 0.0000000000000000, 0.0034523700000000 ] - [ 0.0001937900000000, -0.0007312100000000, 0.0014876400000000 ] - [ 0.0001937900000000, 0.0007312100000000, 0.0014876400000000 ] - [ 0.0046523800000000, 0.0000000000000000, -0.0146432100000000 ] - [ 0.0006451900000000, -0.0006761300000000, 0.0002345100000000 ] - [ 0.0006451900000000, 0.0006761300000000, 0.0002345100000000 ] - [ 0.0055344600000000, 0.0000000000000000, -0.0119815500000000 ] - [ 0.0002834600000000, 0.0007077200000000, -0.0000903500000000 ] - [ 0.0002834600000000, -0.0007077200000000, -0.0000903500000000 ] - [ 0.0057239900000000, -0.0053847700000000, 0.0017078600000000 ] - [ -0.0002115600000000, 0.0000000000000000, 0.0000502800000000 ] - [ 0.0057239900000000, 0.0053847700000000, 0.0017078600000000 ] - [ -0.0008407900000000, 0.0007592400000000, -0.0023089400000000 ] - [ -0.0002641300000000, 0.0000000000000000, -0.0007194600000000 ] - [ -0.0008407900000000, -0.0007592400000000, -0.0023089400000000 ] - [ -0.1048652200000000, 0.0000000000000000, 0.1097805600000000 ] - [ -0.0000136500000000, -0.0002127900000000, 0.0005305900000000 ] - [ -0.0000136500000000, 0.0002127900000000, 0.0005305900000000 ] - [ 0.0037868900000000, 0.0000000000000000, -0.0051174100000000 ] - [ 0.0015878100000000, -0.0001703500000000, -0.0010916700000000 ] - [ 0.0015878100000000, 0.0001703500000000, -0.0010916700000000 ] - [ -0.0036937300000000, 0.0000000000000000, -0.0025107400000000 ] - [ -0.0015347700000000, -0.0003873200000000, 0.0003733200000000 ] - [ -0.0015347700000000, 0.0003873200000000, 0.0003733200000000 ] - [ 0.0043913600000000, 0.0000000000000000, -0.0010683900000000 ] - [ -0.0001523400000000, 0.0007210800000000, -0.0000789300000000 ] - [ -0.0001523400000000, -0.0007210800000000, -0.0000789300000000 ] - [ 0.0000576100000000, -0.0021309600000000, -0.0003762300000000 ] - [ 0.0001679900000000, 0.0000000000000000, 0.0006148100000000 ] - [ 0.0000576100000000, 0.0021309600000000, -0.0003762300000000 ] - [ 0.0023403700000000, 0.0071646900000000, 0.0022981800000000 ] - [ 0.0000476100000000, 0.0000000000000000, 0.0009601900000000 ] - [ 0.0023403700000000, -0.0071646900000000, 0.0022981800000000 ] - [ 0.0007338400000000, -0.0000206300000000, 0.0008292500000000 ] - [ 0.0007462600000000, 0.0000000000000000, 0.0007817700000000 ] - [ 0.0007338400000000, 0.0000206300000000, 0.0008292500000000 ] - [ 0.0004846900000000, -0.0002324900000000, 0.0003052000000000 ] - [ 0.0009871300000000, 0.0000000000000000, 0.0003764100000000 ] - [ 0.0004846900000000, 0.0002324900000000, 0.0003052000000000 ] - [ -0.0033931400000000, 0.0000000000000000, 0.0053414300000000 ] - [ 0.0001318900000000, 0.0003976400000000, 0.0008446800000000 ] - [ 0.0001318900000000, -0.0003976400000000, 0.0008446800000000 ] - [ 0.0000841200000000, 0.0000000000000000, -0.0012270600000000 ] - [ -0.0002766200000000, -0.0002188600000000, -0.0008764500000000 ] - [ -0.0002766200000000, 0.0002188600000000, -0.0008764500000000 ] - [ 0.0030863900000000, -0.0000760800000000, -0.0000213700000000 ] - [ 0.0015638200000000, 0.0000000000000000, -0.0004399900000000 ] - [ 0.0030863900000000, 0.0000760800000000, -0.0000213700000000 ] - [ 0.0003822600000000, -0.0002214700000000, -0.0008517900000000 ] - [ 0.0008972800000000, 0.0000000000000000, -0.0005580300000000 ] - [ 0.0003822600000000, 0.0002214700000000, -0.0008517900000000 ] - [ -0.0002079900000000, 0.0002827000000000, 0.0012361400000000 ] - [ -0.0001956000000000, 0.0000000000000000, -0.0002041200000000 ] - [ -0.0002079900000000, -0.0002827000000000, 0.0012361400000000 ] - [ -0.0009307600000000, 0.0019217700000000, -0.0059140800000000 ] - [ -0.0003196200000000, 0.0000000000000000, -0.0004751800000000 ] - [ -0.0009307600000000, -0.0019217700000000, -0.0059140800000000 ] - [ 0.0012771500000000, 0.0000000000000000, 0.0080199000000000 ] - [ -0.0001201300000000, 0.0015264600000000, 0.0003574300000000 ] - [ -0.0001201300000000, -0.0015264600000000, 0.0003574300000000 ] - [ 0.0698409800000000, 0.0000000000000000, -0.0560257700000000 ] - [ 0.0008410900000000, -0.0047655400000000, -0.0012022500000000 ] - [ 0.0008410900000000, 0.0047655400000000, -0.0012022500000000 ]- atom: 121 displacement: [ 0.0099999834948202, 0.0000000000000000, 0.0000181687457952 ] forces: - [ 0.0081913000000000, 0.0000000000000000, -0.0034721900000000 ] - [ -0.0000615700000000, 0.0006410000000000, -0.0000232200000000 ] - [ -0.0000615700000000, -0.0006410000000000, -0.0000232200000000 ] - [ 0.0016112600000000, 0.0000000000000000, 0.0042167100000000 ] - [ -0.0002170900000000, 0.0003996700000000, 0.0001052600000000 ] - [ -0.0002170900000000, -0.0003996700000000, 0.0001052600000000 ] - [ -0.0090599600000000, 0.0000000000000000, -0.0115067200000000 ] - [ -0.0006686600000000, 0.0003156000000000, -0.0001040300000000 ] - [ -0.0006686600000000, -0.0003156000000000, -0.0001040300000000 ] - [ -0.0090231400000000, 0.0000000000000000, -0.0114603500000000 ] - [ -0.0006637000000000, -0.0003169600000000, -0.0001130900000000 ] - [ -0.0006637000000000, 0.0003169600000000, -0.0001130900000000 ] - [ 0.0058700700000000, -0.0144006700000000, -0.0019728300000000 ] - [ 0.0058700700000000, 0.0144006700000000, -0.0019728300000000 ] - [ 0.0003497300000000, 0.0000000000000000, -0.0000564400000000 ] - [ -0.0001229900000000, -0.0003750500000000, 0.0003122600000000 ] - [ -0.0001229900000000, 0.0003750500000000, 0.0003122600000000 ] - [ 0.0002820000000000, 0.0000000000000000, -0.0000241300000000 ] - [ 0.0006981400000000, 0.0000000000000000, -0.0000711600000000 ] - [ -0.0000010000000000, 0.0000737700000000, 0.0000034300000000 ] - [ -0.0000010000000000, -0.0000737700000000, 0.0000034300000000 ] - [ 0.0244205400000000, 0.0000000000000000, 0.0103612000000000 ] - [ -0.0002201700000000, 0.0010126200000000, -0.0000870600000000 ] - [ -0.0002201700000000, -0.0010126200000000, -0.0000870600000000 ] - [ 0.0003317200000000, -0.0009260300000000, -0.0014962800000000 ] - [ 0.0003317200000000, 0.0009260300000000, -0.0014962800000000 ] - [ -0.0002602800000000, 0.0000000000000000, -0.0004634800000000 ] - [ 0.0002276300000000, -0.0072170400000000, 0.0035969100000000 ] - [ 0.0002276300000000, 0.0072170400000000, 0.0035969100000000 ] - [ -0.0003210100000000, 0.0000000000000000, -0.0004286100000000 ] - [ 0.0005061100000000, 0.0072034700000000, 0.0040945800000000 ] - [ 0.0005061100000000, -0.0072034700000000, 0.0040945800000000 ] - [ -0.0000800900000000, 0.0000000000000000, 0.0000931600000000 ] - [ 0.0005670300000000, 0.0009215500000000, -0.0009617700000000 ] - [ 0.0005670300000000, -0.0009215500000000, -0.0009617700000000 ] - [ -0.0000262700000000, 0.0000000000000000, 0.0000596500000000 ] - [ 0.0010562600000000, 0.0002923700000000, 0.0007362100000000 ] - [ 0.0010562600000000, -0.0002923700000000, 0.0007362100000000 ] - [ -0.0004132400000000, 0.0000000000000000, 0.0000365300000000 ] - [ 0.0010530900000000, -0.0002928400000000, 0.0007586100000000 ] - [ 0.0010530900000000, 0.0002928400000000, 0.0007586100000000 ] - [ -0.0004165900000000, 0.0000000000000000, 0.0000389600000000 ] - [ 0.0243440000000000, 0.0000000000000000, 0.0101423600000000 ] - [ 0.0001336400000000, -0.0009952600000000, -0.0001166200000000 ] - [ 0.0001336400000000, 0.0009952600000000, -0.0001166200000000 ] - [ 0.0010312300000000, 0.0000000000000000, -0.0001002100000000 ] - [ 0.0003328400000000, -0.0000717100000000, -0.0000286100000000 ] - [ 0.0003328400000000, 0.0000717100000000, -0.0000286100000000 ] - [ -0.0004562500000000, 0.0003730800000000, 0.0003530700000000 ] - [ -0.0004562500000000, -0.0003730800000000, 0.0003530700000000 ] - [ -0.0000536600000000, 0.0000000000000000, 0.0000135100000000 ] - [ 0.0055094600000000, 0.0142352300000000, -0.0018844500000000 ] - [ 0.0055094600000000, -0.0142352300000000, -0.0018844500000000 ] - [ 0.0000207500000000, 0.0000000000000000, -0.0000205200000000 ] - [ 0.0013749900000000, 0.0000000000000000, 0.0036916100000000 ] - [ -0.0004462900000000, -0.0003955400000000, -0.0004093000000000 ] - [ -0.0004462900000000, 0.0003955400000000, -0.0004093000000000 ] - [ 0.0079215400000000, 0.0000000000000000, -0.0039555300000000 ] - [ -0.0002792700000000, -0.0006293000000000, -0.0005458900000000 ] - [ -0.0002792700000000, 0.0006293000000000, -0.0005458900000000 ] - [ 0.0951890800000000, 0.0000000000000000, -0.0401773600000000 ] - [ 0.0003312200000000, -0.0005684600000000, -0.0002764900000000 ] - [ 0.0003312200000000, 0.0005684600000000, -0.0002764900000000 ] - [ 0.0020337100000000, 0.0000000000000000, -0.0001395900000000 ] - [ -0.0008320900000000, -0.0000825300000000, 0.0003417100000000 ] - [ -0.0008320900000000, 0.0000825300000000, 0.0003417100000000 ] - [ 0.0125735200000000, 0.0002394100000000, -0.0002403400000000 ] - [ 0.0125735200000000, -0.0002394100000000, -0.0002403400000000 ] - [ 0.0005327300000000, 0.0000000000000000, 0.0007549800000000 ] - [ 0.0008794900000000, 0.0000018500000000, 0.0016478200000000 ] - [ 0.0008794900000000, -0.0000018500000000, 0.0016478200000000 ] - [ 0.0002815000000000, 0.0000000000000000, 0.0008914000000000 ] - [ -0.0052890600000000, 0.0029105500000000, 0.0005593400000000 ] - [ -0.0052890600000000, -0.0029105500000000, 0.0005593400000000 ] - [ 0.0006608900000000, 0.0000000000000000, 0.0003355800000000 ] - [ -0.0005399200000000, 0.0012732400000000, -0.0023384000000000 ] - [ -0.0005399200000000, -0.0012732400000000, -0.0023384000000000 ] - [ 0.0006758600000000, 0.0000000000000000, 0.0003712700000000 ] - [ -0.0008983500000000, 0.0000000000000000, 0.0059172200000000 ] - [ -0.0000527800000000, -0.0002899600000000, 0.0001376900000000 ] - [ -0.0000527800000000, 0.0002899600000000, 0.0001376900000000 ] - [ 0.0448003000000000, 0.0000000000000000, 0.0403272600000000 ] - [ 0.0005744600000000, -0.0002254200000000, 0.0004168700000000 ] - [ 0.0005744600000000, 0.0002254200000000, 0.0004168700000000 ] - [ 0.0001314100000000, 0.0002150900000000, -0.0007950500000000 ] - [ 0.0001314100000000, -0.0002150900000000, -0.0007950500000000 ] - [ 0.0010549700000000, 0.0000000000000000, -0.0004851800000000 ] - [ -0.0065967000000000, 0.0053882100000000, -0.0024474500000000 ] - [ -0.0065967000000000, -0.0053882100000000, -0.0024474500000000 ] - [ 0.0009323200000000, 0.0000000000000000, -0.0004082600000000 ] - [ -0.0087248800000000, -0.0053006200000000, -0.0016145000000000 ] - [ -0.0087248800000000, 0.0053006200000000, -0.0016145000000000 ] - [ -0.0012710600000000, 0.0000000000000000, 0.0003981500000000 ] - [ -0.0020393800000000, -0.0002102200000000, -0.0000077900000000 ] - [ -0.0020393800000000, 0.0002102200000000, -0.0000077900000000 ] - [ -0.0011286600000000, 0.0000000000000000, 0.0003123900000000 ] - [ -0.0088903200000000, 0.0000000000000000, -0.0003862200000000 ] - [ -0.0011872500000000, -0.0000248200000000, 0.0009447600000000 ] - [ -0.0011872500000000, 0.0000248200000000, 0.0009447600000000 ] - [ -0.0005830700000000, 0.0000000000000000, -0.0003129400000000 ] - [ -0.0001023700000000, -0.0000021300000000, 0.0003811900000000 ] - [ -0.0001023700000000, 0.0000021300000000, 0.0003811900000000 ] - [ 0.0453497600000000, 0.0000000000000000, 0.0397558400000000 ] - [ 0.0013701900000000, 0.0002382000000000, 0.0010580700000000 ] - [ 0.0013701900000000, -0.0002382000000000, 0.0010580700000000 ] - [ -0.0000710800000000, 0.0000000000000000, 0.0065528300000000 ] - [ 0.0007708900000000, 0.0002839300000000, 0.0008110100000000 ] - [ 0.0007708900000000, -0.0002839300000000, 0.0008110100000000 ] - [ -0.0013799100000000, -0.0012723000000000, -0.0030149500000000 ] - [ -0.0013799100000000, 0.0012723000000000, -0.0030149500000000 ] - [ -0.0001589100000000, 0.0000000000000000, -0.0003116200000000 ] - [ -0.0061152200000000, -0.0028850100000000, -0.0001396600000000 ] - [ -0.0061152200000000, 0.0028850100000000, -0.0001396600000000 ] - [ -0.0001812000000000, 0.0000000000000000, -0.0003483600000000 ] - [ 0.0042332000000000, 0.0000000000000000, -0.0009407000000000 ] - [ 0.0013563100000000, 0.0000803700000000, -0.0004653600000000 ] - [ 0.0013563100000000, -0.0000803700000000, -0.0004653600000000 ] - [ 0.0926014600000000, 0.0000000000000000, -0.0380485700000000 ] - [ 0.0024623400000000, 0.0005759100000000, -0.0010647100000000 ] - [ 0.0024623400000000, -0.0005759100000000, -0.0010647100000000 ] - [ -0.3528383000000000, 0.0000000000000000, 0.0004397200000000 ] - [ 0.0004302000000000, -0.0000496500000000, -0.0002469500000000 ] - [ 0.0004302000000000, 0.0000496500000000, -0.0002469500000000 ] - [ -0.0064591700000000, 0.0000000000000000, -0.0065207000000000 ] - [ -0.0004336500000000, 0.0000030000000000, -0.0007812500000000 ] - [ -0.0004336500000000, -0.0000030000000000, -0.0007812500000000 ] - [ 0.0148053300000000, -0.0000381500000000, 0.0000737900000000 ] - [ 0.0148053300000000, 0.0000381500000000, 0.0000737900000000 ] - [ -0.0001767900000000, 0.0000000000000000, -0.0004659600000000 ] - [ 0.0021115800000000, -0.0000047100000000, 0.0027387800000000 ] - [ 0.0021115800000000, 0.0000047100000000, 0.0027387800000000 ] - [ -0.0001892800000000, 0.0000000000000000, -0.0003961100000000 ]- atom: 121 displacement: [ -0.0099999834948202, 0.0000000000000000, -0.0000181687457952 ] forces: - [ -0.0082688500000000, 0.0000000000000000, 0.0035055600000000 ] - [ -0.0000717900000000, -0.0006305900000000, 0.0001001700000000 ] - [ -0.0000717900000000, 0.0006305900000000, 0.0001001700000000 ] - [ -0.0017362000000000, 0.0000000000000000, -0.0041365200000000 ] - [ 0.0000962200000000, -0.0003960200000000, -0.0000352200000000 ] - [ 0.0000962200000000, 0.0003960200000000, -0.0000352200000000 ] - [ 0.0081141500000000, 0.0000000000000000, 0.0114639900000000 ] - [ -0.0002290500000000, -0.0003168100000000, 0.0001126800000000 ] - [ -0.0002290500000000, 0.0003168100000000, 0.0001126800000000 ] - [ 0.0081858600000000, 0.0000000000000000, 0.0115036200000000 ] - [ -0.0002227300000000, 0.0003150800000000, 0.0001050400000000 ] - [ -0.0002227300000000, -0.0003150800000000, 0.0001050400000000 ] - [ -0.0052865300000000, 0.0142416400000000, 0.0019134300000000 ] - [ -0.0052865300000000, -0.0142416400000000, 0.0019134300000000 ] - [ 0.0002010000000000, 0.0000000000000000, 0.0000449100000000 ] - [ 0.0006795300000000, 0.0003739900000000, -0.0003294200000000 ] - [ 0.0006795300000000, -0.0003739900000000, -0.0003294200000000 ] - [ 0.0002737000000000, 0.0000000000000000, 0.0000085200000000 ] - [ -0.0008053800000000, 0.0000000000000000, 0.0001236300000000 ] - [ -0.0001093000000000, -0.0000716100000000, 0.0000515400000000 ] - [ -0.0001093000000000, 0.0000716100000000, 0.0000515400000000 ] - [ -0.0241305300000000, 0.0000000000000000, -0.0101214100000000 ] - [ 0.0000903900000000, -0.0009949200000000, 0.0001384200000000 ] - [ 0.0000903900000000, 0.0009949200000000, 0.0001384200000000 ] - [ -0.0009207600000000, 0.0009216100000000, 0.0005164100000000 ] - [ -0.0009207600000000, -0.0009216100000000, 0.0005164100000000 ] - [ -0.0003263700000000, 0.0000000000000000, -0.0005052500000000 ] - [ -0.0008671400000000, 0.0071904000000000, -0.0045390900000000 ] - [ -0.0008671400000000, -0.0071904000000000, -0.0045390900000000 ] - [ -0.0002743500000000, 0.0000000000000000, -0.0005384200000000 ] - [ -0.0005726300000000, -0.0072305800000000, -0.0040414100000000 ] - [ -0.0005726300000000, 0.0072305800000000, -0.0040414100000000 ] - [ -0.0000323900000000, 0.0000000000000000, -0.0000172700000000 ] - [ -0.0006841600000000, -0.0009260100000000, 0.0010518000000000 ] - [ -0.0006841600000000, 0.0009260100000000, 0.0010518000000000 ] - [ -0.0000896800000000, 0.0000000000000000, 0.0000191700000000 ] - [ -0.0019454800000000, -0.0002942600000000, -0.0007590200000000 ] - [ -0.0019454800000000, 0.0002942600000000, -0.0007590200000000 ] - [ -0.0004746000000000, 0.0000000000000000, -0.0000394800000000 ] - [ -0.0019484400000000, 0.0002911900000000, -0.0007360600000000 ] - [ -0.0019484400000000, -0.0002911900000000, -0.0007360600000000 ] - [ -0.0004795300000000, 0.0000000000000000, -0.0000377000000000 ] - [ -0.0241904400000000, 0.0000000000000000, -0.0103363100000000 ] - [ 0.0004405400000000, 0.0010124300000000, 0.0001071600000000 ] - [ 0.0004405400000000, -0.0010124300000000, 0.0001071600000000 ] - [ -0.0004756200000000, 0.0000000000000000, 0.0000937300000000 ] - [ 0.0002227500000000, 0.0000737600000000, 0.0000185200000000 ] - [ 0.0002227500000000, -0.0000737600000000, 0.0000185200000000 ] - [ 0.0003476900000000, -0.0003743000000000, -0.0002905200000000 ] - [ 0.0003476900000000, 0.0003743000000000, -0.0002905200000000 ] - [ -0.0000596200000000, 0.0000000000000000, 0.0000459800000000 ] - [ -0.0056482300000000, -0.0143940300000000, 0.0019906800000000 ] - [ -0.0056482300000000, 0.0143940300000000, 0.0019906800000000 ] - [ -0.0001246700000000, 0.0000000000000000, 0.0000787400000000 ] - [ -0.0019659000000000, 0.0000000000000000, -0.0046632400000000 ] - [ -0.0001347700000000, 0.0004008600000000, -0.0005494800000000 ] - [ -0.0001347700000000, -0.0004008600000000, -0.0005494800000000 ] - [ -0.0085442900000000, 0.0000000000000000, 0.0030329100000000 ] - [ -0.0002956000000000, 0.0006404700000000, -0.0004211800000000 ] - [ -0.0002956000000000, -0.0006404700000000, -0.0004211800000000 ] - [ -0.0926031400000000, 0.0000000000000000, 0.0378275300000000 ] - [ -0.0024210500000000, 0.0005695500000000, 0.0008437500000000 ] - [ -0.0024210500000000, -0.0005695500000000, 0.0008437500000000 ] - [ -0.0041843100000000, 0.0000000000000000, 0.0007164800000000 ] - [ -0.0013112200000000, 0.0000808800000000, 0.0002450100000000 ] - [ -0.0013112200000000, -0.0000808800000000, 0.0002450100000000 ] - [ -0.0122122600000000, 0.0002076400000000, 0.0018021700000000 ] - [ -0.0122122600000000, -0.0002076400000000, 0.0018021700000000 ] - [ -0.0001731000000000, 0.0000000000000000, 0.0008080200000000 ] - [ -0.0005192400000000, 0.0000029200000000, -0.0000856500000000 ] - [ -0.0005192400000000, -0.0000029200000000, -0.0000856500000000 ] - [ 0.0000801900000000, 0.0000000000000000, 0.0006693700000000 ] - [ 0.0066201700000000, -0.0028869300000000, 0.0003125100000000 ] - [ 0.0066201700000000, 0.0028869300000000, 0.0003125100000000 ] - [ 0.0006865700000000, 0.0000000000000000, 0.0005224100000000 ] - [ 0.0018850300000000, -0.0012713800000000, 0.0031889800000000 ] - [ 0.0018850300000000, 0.0012713800000000, 0.0031889800000000 ] - [ 0.0006640300000000, 0.0000000000000000, 0.0004850900000000 ] - [ 0.0005711400000000, 0.0000000000000000, -0.0063793900000000 ] - [ -0.0002643900000000, 0.0002841500000000, -0.0006385200000000 ] - [ -0.0002643900000000, -0.0002841500000000, -0.0006385200000000 ] - [ -0.0448121900000000, 0.0000000000000000, -0.0395387000000000 ] - [ -0.0008654000000000, 0.0002418000000000, -0.0008839900000000 ] - [ -0.0008654000000000, -0.0002418000000000, -0.0008839900000000 ] - [ 0.0020845100000000, -0.0002117000000000, -0.0002143600000000 ] - [ 0.0020845100000000, 0.0002117000000000, -0.0002143600000000 ] - [ 0.0011707800000000, 0.0000000000000000, -0.0005335400000000 ] - [ 0.0087720100000000, -0.0053035200000000, 0.0013918100000000 ] - [ 0.0087720100000000, 0.0053035200000000, 0.0013918100000000 ] - [ 0.0013159100000000, 0.0000000000000000, -0.0006180700000000 ] - [ 0.0066354600000000, 0.0053871900000000, 0.0022278500000000 ] - [ 0.0066354600000000, -0.0053871900000000, 0.0022278500000000 ] - [ -0.0008883200000000, 0.0000000000000000, 0.0001902300000000 ] - [ -0.0000895400000000, 0.0002151000000000, 0.0005755300000000 ] - [ -0.0000895400000000, -0.0002151000000000, 0.0005755300000000 ] - [ -0.0010116600000000, 0.0000000000000000, 0.0002635100000000 ] - [ 0.0092512800000000, 0.0000000000000000, 0.0019478100000000 ] - [ 0.0015463400000000, -0.0000231200000000, 0.0006179000000000 ] - [ 0.0015463400000000, 0.0000231200000000, 0.0006179000000000 ] - [ 0.0009427200000000, 0.0000000000000000, 0.0018735600000000 ] - [ 0.0004615700000000, -0.0000010700000000, 0.0011802000000000 ] - [ 0.0004615700000000, 0.0000010700000000, 0.0011802000000000 ] - [ -0.0443260900000000, 0.0000000000000000, -0.0401951400000000 ] - [ -0.0000656400000000, -0.0002220100000000, -0.0002443900000000 ] - [ -0.0000656400000000, 0.0002220100000000, -0.0002443900000000 ] - [ 0.0014098100000000, 0.0000000000000000, -0.0057451700000000 ] - [ 0.0005602600000000, -0.0002898700000000, 0.0000355900000000 ] - [ 0.0005602600000000, 0.0002898700000000, 0.0000355900000000 ] - [ 0.0010459800000000, 0.0012713700000000, 0.0025098800000000 ] - [ 0.0010459800000000, -0.0012713700000000, 0.0025098800000000 ] - [ -0.0001703800000000, 0.0000000000000000, -0.0001986800000000 ] - [ 0.0057949700000000, 0.0029096800000000, -0.0003861600000000 ] - [ 0.0057949700000000, -0.0029096800000000, -0.0003861600000000 ] - [ -0.0001531300000000, 0.0000000000000000, -0.0001625800000000 ] - [ -0.0019913200000000, 0.0000000000000000, -0.0000810400000000 ] - [ 0.0008761800000000, -0.0000840000000000, -0.0005621900000000 ] - [ 0.0008761800000000, 0.0000840000000000, -0.0005621900000000 ] - [ -0.0950982500000000, 0.0000000000000000, 0.0399570300000000 ] - [ -0.0002831000000000, -0.0005716600000000, 0.0000572800000000 ] - [ -0.0002831000000000, 0.0005716600000000, 0.0000572800000000 ] - [ 0.3525254200000000, 0.0000000000000000, -0.0010590400000000 ] - [ -0.0007392500000000, -0.0000495300000000, -0.0003764200000000 ] - [ -0.0007392500000000, 0.0000495300000000, -0.0003764200000000 ] - [ 0.0061502600000000, 0.0000000000000000, 0.0058988400000000 ] - [ 0.0001238500000000, 0.0000036300000000, 0.0001599500000000 ] - [ 0.0001238500000000, -0.0000036300000000, 0.0001599500000000 ] - [ -0.0151113100000000, -0.0000340000000000, -0.0006953000000000 ] - [ -0.0151113100000000, 0.0000340000000000, -0.0006953000000000 ] - [ -0.0001296300000000, 0.0000000000000000, -0.0001597100000000 ] - [ -0.0024183600000000, -0.0000011700000000, -0.0033596900000000 ] - [ -0.0024183600000000, 0.0000011700000000, -0.0033596900000000 ] - [ -0.0001150300000000, 0.0000000000000000, -0.0002263600000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000659900000000, -0.0005333400000000, 0.0000360400000000 ] - [ 0.0019093100000000, 0.0005274300000000, -0.0012142000000000 ] - [ -0.0020230000000000, 0.0005244300000000, 0.0012791400000000 ] - [ -0.0000616700000000, 0.0000379600000000, 0.0000259400000000 ] - [ 0.0006832400000000, 0.0002469100000000, 0.0024683000000000 ] - [ -0.0007994000000000, 0.0002481500000000, -0.0023919200000000 ] - [ -0.0004602400000000, -0.0052273100000000, 0.0000355300000000 ] - [ 0.0004286300000000, 0.0013894800000000, -0.0028705800000000 ] - [ -0.0013172400000000, 0.0013853600000000, 0.0028596400000000 ] - [ -0.0004310900000000, -0.0052251000000000, -0.0000358700000000 ] - [ -0.0013203100000000, 0.0013858300000000, 0.0028681200000000 ] - [ 0.0004249200000000, 0.0013817400000000, -0.0028600500000000 ] - [ -0.0142086100000000, 0.0024217900000000, 0.0050473400000000 ] - [ 0.0149323900000000, 0.0024553500000000, -0.0051222000000000 ] - [ 0.0002779200000000, 0.0044926500000000, -0.0000101700000000 ] - [ 0.0002227000000000, -0.0005236500000000, -0.0005061200000000 ] - [ 0.0003307300000000, -0.0005299800000000, 0.0004900700000000 ] - [ 0.0002785400000000, 0.0010391800000000, -0.0000053300000000 ] - [ -0.0000577100000000, -0.0005935000000000, 0.0000297800000000 ] - [ 0.0002292100000000, 0.0002940800000000, 0.0000624100000000 ] - [ -0.0003413100000000, 0.0002955300000000, -0.0000038600000000 ] - [ -0.0001051400000000, -0.0057182800000000, 0.0000176700000000 ] - [ 0.0023977200000000, 0.0014915800000000, 0.0008203900000000 ] - [ -0.0025045300000000, 0.0014878000000000, -0.0007591300000000 ] - [ -0.0004616200000000, -0.0004854900000000, 0.0001354600000000 ] - [ -0.0001323400000000, -0.0004918000000000, -0.0011011100000000 ] - [ -0.0002947100000000, 0.0009567500000000, -0.0004797500000000 ] - [ -0.0089239200000000, 0.0015509900000000, -0.0119471900000000 ] - [ 0.0084248500000000, 0.0015725600000000, 0.0111176300000000 ] - [ -0.0002976700000000, 0.0043122200000000, -0.0004784200000000 ] - [ 0.0085919800000000, 0.0015675900000000, 0.0115192200000000 ] - [ -0.0088016200000000, 0.0015881800000000, -0.0115830300000000 ] - [ -0.0000588100000000, 0.0043112600000000, 0.0000329000000000 ] - [ 0.0001087300000000, -0.0004860600000000, -0.0005831500000000 ] - [ -0.0002192700000000, -0.0004912100000000, 0.0006563500000000 ] - [ -0.0000589100000000, 0.0009560200000000, 0.0000356700000000 ] - [ -0.0003276800000000, -0.0003726400000000, 0.0008412000000000 ] - [ -0.0005609400000000, -0.0003767500000000, -0.0008483100000000 ] - [ -0.0004465500000000, 0.0007121200000000, -0.0000012100000000 ] - [ -0.0005631900000000, -0.0003718600000000, -0.0008436100000000 ] - [ -0.0003301600000000, -0.0003758400000000, 0.0008490100000000 ] - [ -0.0004436800000000, 0.0007105600000000, 0.0000031300000000 ] - [ 0.0003276500000000, -0.0057170700000000, 0.0000052900000000 ] - [ -0.0021762900000000, 0.0014925400000000, -0.0007968000000000 ] - [ 0.0027269200000000, 0.0014879500000000, 0.0007814600000000 ] - [ 0.0002803700000000, -0.0005918400000000, -0.0000060600000000 ] - [ -0.0000079400000000, 0.0002943200000000, -0.0000411700000000 ] - [ 0.0005640000000000, 0.0002930500000000, 0.0000273900000000 ] - [ -0.0000023600000000, -0.0005242300000000, 0.0005310200000000 ] - [ -0.0001102700000000, -0.0005286200000000, -0.0004696500000000 ] - [ -0.0000527800000000, 0.0010392700000000, 0.0000310600000000 ] - [ 0.0144240500000000, 0.0024197000000000, -0.0050296800000000 ] - [ -0.0147048800000000, 0.0024530600000000, 0.0051481800000000 ] - [ -0.0000573500000000, 0.0044923800000000, 0.0000302700000000 ] - [ -0.0002929200000000, 0.0000349100000000, -0.0004713400000000 ] - [ -0.0010336900000000, 0.0002469100000000, -0.0029141600000000 ] - [ 0.0004430200000000, 0.0002504400000000, 0.0019468400000000 ] - [ -0.0002870200000000, -0.0005331600000000, -0.0004829300000000 ] - [ -0.0022639900000000, 0.0005274200000000, 0.0007695100000000 ] - [ 0.0016692200000000, 0.0005253800000000, -0.0017261400000000 ] - [ -0.0013280100000000, 0.0218462500000000, 0.0004277000000000 ] - [ -0.0072198500000000, -0.0084472200000000, 0.0031347200000000 ] - [ 0.0051134900000000, -0.0084184800000000, -0.0025723300000000 ] - [ -0.0010741100000000, 0.0011109000000000, 0.0002987500000000 ] - [ -0.0006073100000000, -0.0005597800000000, -0.0011746400000000 ] - [ -0.0015270400000000, -0.0005644700000000, 0.0017505100000000 ] - [ 0.0001929000000000, 0.0790934500000000, 0.0008567100000000 ] - [ 0.0001677300000000, 0.0857824500000000, 0.0006994600000000 ] - [ 0.0001792700000000, -0.0142486000000000, 0.0007811800000000 ] - [ 0.0001774500000000, 0.0017404600000000, 0.0007822200000000 ] - [ 0.0001806000000000, 0.0017586700000000, 0.0007812300000000 ] - [ 0.0001826600000000, -0.0035346400000000, 0.0007803100000000 ] - [ 0.0005605800000000, 0.0017017000000000, -0.0008314200000000 ] - [ 0.0007734200000000, 0.0017173000000000, 0.0016878500000000 ] - [ 0.0006670900000000, -0.0028693800000000, 0.0004239700000000 ] - [ 0.0012718900000000, 0.0013230500000000, 0.0021246900000000 ] - [ 0.0000597800000000, 0.0013374400000000, -0.0012848400000000 ] - [ 0.0006641300000000, -0.0022207900000000, 0.0004208400000000 ] - [ -0.0001566600000000, 0.0011125300000000, -0.0002585200000000 ] - [ -0.0006463700000000, -0.0005935600000000, 0.0012030600000000 ] - [ 0.0003286900000000, -0.0005961500000000, -0.0016968900000000 ] - [ -0.0002997100000000, 0.0212446100000000, -0.0005073000000000 ] - [ -0.0039996000000000, -0.0083300800000000, -0.0067149500000000 ] - [ 0.0037018100000000, -0.0083077100000000, 0.0062579100000000 ] - [ 0.0011359900000000, 0.0003909000000000, -0.0008070900000000 ] - [ 0.0010972200000000, 0.0003965800000000, -0.0002121100000000 ] - [ 0.0011119200000000, -0.0008094400000000, -0.0005102100000000 ] - [ 0.0079578300000000, 0.0012977300000000, -0.0000942000000000 ] - [ -0.0057886100000000, 0.0013141800000000, -0.0009418500000000 ] - [ 0.0011159100000000, -0.0035322200000000, -0.0005102500000000 ] - [ -0.0079198000000000, 0.0012978100000000, -0.0001244700000000 ] - [ 0.0058370300000000, 0.0013135200000000, 0.0007193500000000 ] - [ -0.0010701200000000, -0.0035313100000000, 0.0002908300000000 ] - [ -0.0010863900000000, 0.0003927100000000, 0.0005879500000000 ] - [ -0.0010534700000000, 0.0003927400000000, -0.0000057300000000 ] - [ -0.0010715800000000, -0.0008074300000000, 0.0002866600000000 ] - [ 0.0001811000000000, 0.0068929100000000, 0.0007821600000000 ] - [ 0.0001778800000000, -0.0035228000000000, 0.0007808900000000 ] - [ 0.0001813200000000, -0.0035217500000000, 0.0007807700000000 ] - [ 0.0001812800000000, 0.0029468900000000, 0.0007797200000000 ] - [ 0.0001781100000000, -0.0013799600000000, 0.0007804400000000 ] - [ 0.0001807100000000, -0.0013850000000000, 0.0007809500000000 ] - [ 0.0008077700000000, 0.0212197000000000, 0.0006846600000000 ] - [ 0.0045147900000000, -0.0083413100000000, 0.0068945400000000 ] - [ -0.0032033000000000, -0.0083216400000000, -0.0060882600000000 ] - [ 0.0006588100000000, 0.0011097700000000, 0.0004284700000000 ] - [ 0.0011544600000000, -0.0005925200000000, -0.0010301800000000 ] - [ 0.0001767300000000, -0.0005954300000000, 0.0018703300000000 ] - [ -0.0007660400000000, 0.0013218500000000, -0.0019575000000000 ] - [ 0.0004473000000000, 0.0013374000000000, 0.0014571100000000 ] - [ -0.0001604900000000, -0.0022205400000000, -0.0002443000000000 ] - [ -0.0000522600000000, 0.0017031900000000, 0.0010060400000000 ] - [ -0.0002708000000000, 0.0017136700000000, -0.0015170200000000 ] - [ -0.0001593000000000, -0.0028659900000000, -0.0002498600000000 ] - [ 0.0011194900000000, 0.0011106900000000, -0.0005241200000000 ] - [ 0.0006554600000000, -0.0005638500000000, 0.0009558700000000 ] - [ 0.0015734300000000, -0.0005590100000000, -0.0019749200000000 ] - [ 0.0013693700000000, 0.0218530000000000, -0.0006462400000000 ] - [ 0.0072625700000000, -0.0084400200000000, -0.0033574200000000 ] - [ -0.0050654200000000, -0.0084145500000000, 0.0023558200000000 ] - [ -0.0001536600000000, -0.3053550800000000, -0.0003058400000000 ] - [ -0.0001546900000000, 0.0554209200000000, -0.0002976500000000 ] - [ -0.0001534600000000, 0.0551392700000000, -0.0003246200000000 ] - [ -0.0001525500000000, -0.0030198500000000, -0.0003087000000000 ] - [ -0.0001564900000000, 0.0014910400000000, -0.0003127300000000 ] - [ -0.0001548300000000, 0.0015028100000000, -0.0003061500000000 ] - [ -0.0001501100000000, -0.0035375100000000, -0.0003059600000000 ] - [ -0.0001550400000000, -0.0035587100000000, -0.0003142500000000 ] - [ -0.0001523100000000, 0.0069269600000000, -0.0003128400000000 ] - [ -0.0001556000000000, -0.0009079800000000, -0.0003033800000000 ] - [ -0.0001518300000000, -0.0009163100000000, -0.0003125400000000 ] - [ -0.0001505000000000, 0.0019328800000000, -0.0003111900000000 ]- atom: 121 displacement: [ -0.0033530628758559, 0.0000000000000000, 0.0094210917281681 ] forces: - [ -0.0065241400000000, 0.0000000000000000, 0.0035696500000000 ] - [ -0.0000106000000000, -0.0006165000000000, -0.0000225000000000 ] - [ -0.0000106000000000, 0.0006165000000000, -0.0000225000000000 ] - [ 0.0014556100000000, 0.0000000000000000, 0.0067536600000000 ] - [ -0.0000544900000000, 0.0005942700000000, 0.0000360700000000 ] - [ -0.0000544900000000, -0.0005942700000000, 0.0000360700000000 ] - [ -0.0083872600000000, 0.0000000000000000, 0.0235126300000000 ] - [ -0.0004571700000000, -0.0008786900000000, 0.0000780200000000 ] - [ -0.0004571700000000, 0.0008786900000000, 0.0000780200000000 ] - [ -0.0085234700000000, 0.0000000000000000, 0.0239484900000000 ] - [ -0.0004535900000000, 0.0008873700000000, 0.0000643300000000 ] - [ -0.0004535900000000, -0.0008873700000000, 0.0000643300000000 ] - [ -0.0048847600000000, 0.0109980600000000, -0.0026774600000000 ] - [ -0.0048847600000000, -0.0109980600000000, -0.0026774600000000 ] - [ 0.0002051100000000, 0.0000000000000000, -0.0000078600000000 ] - [ 0.0002338200000000, -0.0009187200000000, 0.0015988200000000 ] - [ 0.0002338200000000, 0.0009187200000000, 0.0015988200000000 ] - [ 0.0003212700000000, 0.0000000000000000, 0.0000373200000000 ] - [ -0.0001311500000000, 0.0000000000000000, 0.0013579600000000 ] - [ -0.0000572300000000, -0.0000679100000000, 0.0002760100000000 ] - [ -0.0000572300000000, 0.0000679100000000, 0.0002760100000000 ] - [ 0.0013183300000000, 0.0000000000000000, -0.0130649200000000 ] - [ -0.0000726900000000, 0.0000359500000000, -0.0001439200000000 ] - [ -0.0000726900000000, -0.0000359500000000, -0.0001439200000000 ] - [ -0.0010772900000000, 0.0008241100000000, 0.0005744900000000 ] - [ -0.0010772900000000, -0.0008241100000000, 0.0005744900000000 ] - [ -0.0003382800000000, 0.0000000000000000, -0.0004764500000000 ] - [ 0.0048822400000000, -0.0090323900000000, 0.0003706800000000 ] - [ 0.0048822400000000, 0.0090323900000000, 0.0003706800000000 ] - [ -0.0002218300000000, 0.0000000000000000, -0.0004474500000000 ] - [ 0.0050760300000000, 0.0089824300000000, 0.0009096800000000 ] - [ 0.0050760300000000, -0.0089824300000000, 0.0009096800000000 ] - [ 0.0000126600000000, 0.0000000000000000, 0.0000794200000000 ] - [ -0.0008490800000000, -0.0008363200000000, 0.0010962700000000 ] - [ -0.0008490800000000, 0.0008363200000000, 0.0010962700000000 ] - [ -0.0001062100000000, 0.0000000000000000, 0.0000397200000000 ] - [ -0.0000589900000000, 0.0007746700000000, 0.0001250600000000 ] - [ -0.0000589900000000, -0.0007746700000000, 0.0001250600000000 ] - [ -0.0004719500000000, 0.0000000000000000, -0.0000129600000000 ] - [ -0.0000620300000000, -0.0007726200000000, 0.0001245400000000 ] - [ -0.0000620300000000, 0.0007726200000000, 0.0001245400000000 ] - [ -0.0004725200000000, 0.0000000000000000, -0.0000169800000000 ] - [ 0.0016804600000000, 0.0000000000000000, -0.0130985700000000 ] - [ 0.0002711100000000, -0.0000293200000000, -0.0001781300000000 ] - [ 0.0002711100000000, 0.0000293200000000, -0.0001781300000000 ] - [ 0.0001913400000000, 0.0000000000000000, 0.0013220500000000 ] - [ 0.0002730200000000, 0.0000725100000000, 0.0002412400000000 ] - [ 0.0002730200000000, -0.0000725100000000, 0.0002412400000000 ] - [ -0.0001030500000000, 0.0009047400000000, 0.0016266000000000 ] - [ -0.0001030500000000, -0.0009047400000000, 0.0016266000000000 ] - [ -0.0000147400000000, 0.0000000000000000, 0.0000733000000000 ] - [ -0.0052455000000000, -0.0110781500000000, -0.0026919100000000 ] - [ -0.0052455000000000, 0.0110781500000000, -0.0026919100000000 ] - [ -0.0001261300000000, 0.0000000000000000, 0.0000255100000000 ] - [ 0.0011905400000000, 0.0000000000000000, 0.0062083900000000 ] - [ -0.0002856900000000, -0.0005859300000000, -0.0004752900000000 ] - [ -0.0002856900000000, 0.0005859300000000, -0.0004752900000000 ] - [ -0.0067986800000000, 0.0000000000000000, 0.0030693000000000 ] - [ -0.0002304100000000, 0.0006246100000000, -0.0005506100000000 ] - [ -0.0002304100000000, -0.0006246100000000, -0.0005506100000000 ] - [ -0.0663958900000000, 0.0000000000000000, 0.0549052300000000 ] - [ -0.0020194200000000, 0.0004635800000000, 0.0011591600000000 ] - [ -0.0020194200000000, -0.0004635800000000, 0.0011591600000000 ] - [ 0.0006136000000000, 0.0000000000000000, -0.0069616000000000 ] - [ -0.0008436600000000, -0.0004177900000000, -0.0002846400000000 ] - [ -0.0008436600000000, 0.0004177900000000, -0.0002846400000000 ] - [ -0.0048540100000000, 0.0002827800000000, 0.0139754600000000 ] - [ -0.0048540100000000, -0.0002827800000000, 0.0139754600000000 ] - [ 0.0000277500000000, 0.0000000000000000, 0.0011190500000000 ] - [ 0.0007179800000000, 0.0000211900000000, -0.0010035200000000 ] - [ 0.0007179800000000, -0.0000211900000000, -0.0010035200000000 ] - [ 0.0002789500000000, 0.0000000000000000, 0.0004895900000000 ] - [ 0.0043983500000000, -0.0027148900000000, 0.0010839800000000 ] - [ 0.0043983500000000, 0.0027148900000000, 0.0010839800000000 ] - [ 0.0007043200000000, 0.0000000000000000, 0.0005653600000000 ] - [ -0.0013661600000000, 0.0023117200000000, -0.0036315500000000 ] - [ -0.0013661600000000, -0.0023117200000000, -0.0036315500000000 ] - [ 0.0005940500000000, 0.0000000000000000, 0.0003823000000000 ] - [ 0.0025357800000000, 0.0000000000000000, -0.0066856100000000 ] - [ -0.0001177400000000, 0.0003794100000000, -0.0008068800000000 ] - [ -0.0001177400000000, -0.0003794100000000, -0.0008068800000000 ] - [ 0.0223552000000000, 0.0000000000000000, 0.0803646200000000 ] - [ 0.0001681800000000, -0.0003707700000000, 0.0009317100000000 ] - [ 0.0001681800000000, 0.0003707700000000, 0.0009317100000000 ] - [ 0.0008779700000000, -0.0000541600000000, -0.0021496900000000 ] - [ 0.0008779700000000, 0.0000541600000000, -0.0021496900000000 ] - [ 0.0011629300000000, 0.0000000000000000, -0.0006119100000000 ] - [ 0.0006210100000000, -0.0003139000000000, 0.0046474100000000 ] - [ 0.0006210100000000, 0.0003139000000000, 0.0046474100000000 ] - [ 0.0010753500000000, 0.0000000000000000, -0.0004135200000000 ] - [ -0.0015482900000000, 0.0003471700000000, 0.0054470000000000 ] - [ -0.0015482900000000, -0.0003471700000000, 0.0054470000000000 ] - [ -0.0011101400000000, 0.0000000000000000, 0.0003811500000000 ] - [ -0.0012875600000000, 0.0000640000000000, -0.0013560300000000 ] - [ -0.0012875600000000, -0.0000640000000000, -0.0013560300000000 ] - [ -0.0010116300000000, 0.0000000000000000, 0.0001837400000000 ] - [ 0.0060563800000000, 0.0000000000000000, 0.0042840100000000 ] - [ 0.0002099800000000, -0.0000082600000000, 0.0014624700000000 ] - [ 0.0002099800000000, 0.0000082600000000, 0.0014624700000000 ] - [ -0.0007162200000000, 0.0000000000000000, -0.0012961400000000 ] - [ -0.0000788900000000, -0.0000087200000000, 0.0000548100000000 ] - [ -0.0000788900000000, 0.0000087200000000, 0.0000548100000000 ] - [ 0.0213812200000000, 0.0000000000000000, 0.0783172500000000 ] - [ 0.0009688800000000, 0.0003742500000000, 0.0015370600000000 ] - [ 0.0009688800000000, -0.0003742500000000, 0.0015370600000000 ] - [ 0.0033924200000000, 0.0000000000000000, -0.0060526000000000 ] - [ 0.0007092500000000, -0.0003889700000000, -0.0001291600000000 ] - [ 0.0007092500000000, 0.0003889700000000, -0.0001291600000000 ] - [ -0.0021764800000000, -0.0022949400000000, -0.0042846700000000 ] - [ -0.0021764800000000, 0.0022949400000000, -0.0042846700000000 ] - [ -0.0002382700000000, 0.0000000000000000, -0.0003013100000000 ] - [ 0.0035898000000000, 0.0027348700000000, 0.0004325500000000 ] - [ 0.0035898000000000, -0.0027348700000000, 0.0004325500000000 ] - [ -0.0001290300000000, 0.0000000000000000, -0.0000939900000000 ] - [ 0.0027901500000000, 0.0000000000000000, -0.0077003300000000 ] - [ 0.0013395400000000, 0.0004067600000000, -0.0010875200000000 ] - [ 0.0013395400000000, -0.0004067600000000, -0.0010875200000000 ] - [ -0.0677951700000000, 0.0000000000000000, 0.0557096100000000 ] - [ 0.0001059300000000, -0.0004568800000000, 0.0003976500000000 ] - [ 0.0001059300000000, 0.0004568800000000, 0.0003976500000000 ] - [ 0.1193748500000000, 0.0000000000000000, -0.3324111700000000 ] - [ -0.0002892700000000, -0.0000524200000000, 0.0001172200000000 ] - [ -0.0002892700000000, 0.0000524200000000, 0.0001172200000000 ] - [ -0.0039093200000000, 0.0000000000000000, 0.0107531800000000 ] - [ -0.0005063400000000, 0.0000181300000000, 0.0009411200000000 ] - [ -0.0005063400000000, -0.0000181300000000, 0.0009411200000000 ] - [ -0.0047952100000000, -0.0000142600000000, -0.0067260200000000 ] - [ -0.0047952100000000, 0.0000142600000000, -0.0067260200000000 ] - [ -0.0002900300000000, 0.0000000000000000, -0.0002522900000000 ] - [ 0.0019496400000000, -0.0000099500000000, 0.0053101000000000 ] - [ 0.0019496400000000, 0.0000099500000000, 0.0053101000000000 ] - [ -0.0002205400000000, 0.0000000000000000, -0.0003868500000000 ]- atom: 121 displacement: [ 0.0033530628758559, 0.0000000000000000, -0.0094210917281681 ] forces: - [ 0.0064407900000000, 0.0000000000000000, -0.0035046800000000 ] - [ -0.0001151600000000, 0.0006221900000000, 0.0001054800000000 ] - [ -0.0001151600000000, -0.0006221900000000, 0.0001054800000000 ] - [ -0.0015440100000000, 0.0000000000000000, -0.0066544100000000 ] - [ -0.0000665800000000, -0.0005882900000000, 0.0000327400000000 ] - [ -0.0000665800000000, 0.0005882900000000, 0.0000327400000000 ] - [ 0.0076455600000000, 0.0000000000000000, -0.0239110600000000 ] - [ -0.0004378400000000, 0.0008846000000000, -0.0000671000000000 ] - [ -0.0004378400000000, -0.0008846000000000, -0.0000671000000000 ] - [ 0.0074819400000000, 0.0000000000000000, -0.0235491400000000 ] - [ -0.0004351900000000, -0.0008817300000000, -0.0000752900000000 ] - [ -0.0004351900000000, 0.0008817300000000, -0.0000752900000000 ] - [ 0.0054639600000000, -0.0110716800000000, 0.0027074400000000 ] - [ 0.0054639600000000, 0.0110716800000000, 0.0027074400000000 ] - [ 0.0003487200000000, 0.0000000000000000, -0.0000027200000000 ] - [ 0.0003265800000000, 0.0009064900000000, -0.0016064700000000 ] - [ 0.0003265800000000, -0.0009064900000000, -0.0016064700000000 ] - [ 0.0002346700000000, 0.0000000000000000, -0.0000519600000000 ] - [ 0.0000333300000000, 0.0000000000000000, -0.0012987700000000 ] - [ -0.0000502600000000, 0.0000716100000000, -0.0002181800000000 ] - [ -0.0000502600000000, -0.0000716100000000, -0.0002181800000000 ] - [ -0.0014660400000000, 0.0000000000000000, 0.0131251000000000 ] - [ -0.0000461800000000, -0.0000297600000000, 0.0002017000000000 ] - [ -0.0000461800000000, 0.0000297600000000, 0.0002017000000000 ] - [ 0.0004949000000000, -0.0008346900000000, -0.0015391500000000 ] - [ 0.0004949000000000, 0.0008346900000000, -0.0015391500000000 ] - [ -0.0002486800000000, 0.0000000000000000, -0.0004856600000000 ] - [ -0.0054353600000000, 0.0089783700000000, -0.0013571700000000 ] - [ -0.0054353600000000, -0.0089783700000000, -0.0013571700000000 ] - [ -0.0003673100000000, 0.0000000000000000, -0.0005222400000000 ] - [ -0.0052315600000000, -0.0090359500000000, -0.0008124500000000 ] - [ -0.0052315600000000, 0.0090359500000000, -0.0008124500000000 ] - [ -0.0001267900000000, 0.0000000000000000, 0.0000008600000000 ] - [ 0.0007234100000000, 0.0008261300000000, -0.0010197200000000 ] - [ 0.0007234100000000, -0.0008261300000000, -0.0010197200000000 ] - [ -0.0000124800000000, 0.0000000000000000, 0.0000346200000000 ] - [ -0.0008319300000000, -0.0007739500000000, -0.0001245700000000 ] - [ -0.0008319300000000, 0.0007739500000000, -0.0001245700000000 ] - [ -0.0004189800000000, 0.0000000000000000, 0.0000153500000000 ] - [ -0.0008312000000000, 0.0007733800000000, -0.0001252400000000 ] - [ -0.0008312000000000, -0.0007733800000000, -0.0001252400000000 ] - [ -0.0004213100000000, 0.0000000000000000, 0.0000122900000000 ] - [ -0.0010859300000000, 0.0000000000000000, 0.0130870300000000 ] - [ 0.0002926600000000, 0.0000336200000000, 0.0001681100000000 ] - [ 0.0002926600000000, -0.0000336200000000, 0.0001681100000000 ] - [ 0.0003530700000000, 0.0000000000000000, -0.0013381700000000 ] - [ 0.0002805000000000, -0.0000689200000000, -0.0002531400000000 ] - [ 0.0002805000000000, 0.0000689200000000, -0.0002531400000000 ] - [ -0.0000095000000000, -0.0009174000000000, -0.0015746300000000 ] - [ -0.0000095000000000, 0.0009174000000000, -0.0015746300000000 ] - [ -0.0000980100000000, 0.0000000000000000, -0.0000161300000000 ] - [ 0.0051087600000000, 0.0110052500000000, 0.0027032900000000 ] - [ 0.0051087600000000, -0.0110052500000000, 0.0027032900000000 ] - [ 0.0000188000000000, 0.0000000000000000, 0.0000304300000000 ] - [ -0.0018109000000000, 0.0000000000000000, -0.0071986500000000 ] - [ -0.0002999600000000, 0.0005934500000000, -0.0004820000000000 ] - [ -0.0002999600000000, -0.0005934500000000, -0.0004820000000000 ] - [ 0.0061691300000000, 0.0000000000000000, -0.0040266100000000 ] - [ -0.0003472900000000, -0.0006194800000000, -0.0004229100000000 ] - [ -0.0003472900000000, 0.0006194800000000, -0.0004229100000000 ] - [ 0.0678554900000000, 0.0000000000000000, -0.0559182300000000 ] - [ -0.0000801400000000, -0.0004595700000000, -0.0006021000000000 ] - [ -0.0000801400000000, 0.0004595700000000, -0.0006021000000000 ] - [ -0.0027494100000000, 0.0000000000000000, 0.0074827800000000 ] - [ -0.0012952800000000, 0.0004093500000000, 0.0008672800000000 ] - [ -0.0012952800000000, -0.0004093500000000, 0.0008672800000000 ] - [ 0.0052146900000000, 0.0001624500000000, -0.0124134800000000 ] - [ 0.0052146900000000, -0.0001624500000000, -0.0124134800000000 ] - [ 0.0003320700000000, 0.0000000000000000, 0.0004440100000000 ] - [ -0.0003570900000000, 0.0000120700000000, 0.0025657200000000 ] - [ -0.0003570900000000, -0.0000120700000000, 0.0025657200000000 ] - [ 0.0000826700000000, 0.0000000000000000, 0.0010705700000000 ] - [ -0.0030826400000000, 0.0027299600000000, -0.0002549400000000 ] - [ -0.0030826400000000, -0.0027299600000000, -0.0002549400000000 ] - [ 0.0006344400000000, 0.0000000000000000, 0.0002746900000000 ] - [ 0.0026869200000000, -0.0022986300000000, 0.0044690500000000 ] - [ 0.0026869200000000, 0.0022986300000000, 0.0044690500000000 ] - [ 0.0007421600000000, 0.0000000000000000, 0.0004722500000000 ] - [ -0.0028848700000000, 0.0000000000000000, 0.0062139800000000 ] - [ -0.0002034800000000, -0.0003888700000000, 0.0002992600000000 ] - [ -0.0002034800000000, 0.0003888700000000, 0.0002992600000000 ] - [ -0.0208458600000000, 0.0000000000000000, -0.0781498800000000 ] - [ -0.0004664500000000, 0.0003781900000000, -0.0013836700000000 ] - [ -0.0004664500000000, -0.0003781900000000, -0.0013836700000000 ] - [ 0.0013334400000000, 0.0000617400000000, 0.0011328400000000 ] - [ 0.0013334400000000, -0.0000617400000000, 0.0011328400000000 ] - [ 0.0010584300000000, 0.0000000000000000, -0.0004075100000000 ] - [ 0.0015994600000000, 0.0003408600000000, -0.0056720600000000 ] - [ 0.0015994600000000, -0.0003408600000000, -0.0056720600000000 ] - [ 0.0011587700000000, 0.0000000000000000, -0.0006056200000000 ] - [ -0.0005851800000000, -0.0003194600000000, -0.0048654800000000 ] - [ -0.0005851800000000, 0.0003194600000000, -0.0048654800000000 ] - [ -0.0010344600000000, 0.0000000000000000, 0.0001988900000000 ] - [ -0.0008382100000000, -0.0000549500000000, 0.0019317900000000 ] - [ -0.0008382100000000, 0.0000549500000000, 0.0019317900000000 ] - [ -0.0011219200000000, 0.0000000000000000, 0.0003918100000000 ] - [ -0.0056968600000000, 0.0000000000000000, -0.0027231300000000 ] - [ 0.0001496400000000, -0.0000062100000000, 0.0001002800000000 ] - [ 0.0001496400000000, 0.0000062100000000, 0.0001002800000000 ] - [ 0.0010766300000000, 0.0000000000000000, 0.0028570600000000 ] - [ 0.0004382400000000, -0.0000014900000000, 0.0015064200000000 ] - [ 0.0004382400000000, 0.0000014900000000, 0.0015064200000000 ] - [ -0.0218771300000000, 0.0000000000000000, -0.0801776400000000 ] - [ 0.0003432400000000, -0.0003689200000000, -0.0007389700000000 ] - [ 0.0003432400000000, 0.0003689200000000, -0.0007389700000000 ] - [ -0.0020299700000000, 0.0000000000000000, 0.0068724500000000 ] - [ 0.0006259900000000, 0.0003812100000000, 0.0009815700000000 ] - [ 0.0006259900000000, -0.0003812100000000, 0.0009815700000000 ] - [ 0.0018686800000000, 0.0023070000000000, 0.0037954100000000 ] - [ 0.0018686800000000, -0.0023070000000000, 0.0037954100000000 ] - [ -0.0000873700000000, 0.0000000000000000, -0.0002084100000000 ] - [ -0.0038943000000000, -0.0027222500000000, -0.0009159600000000 ] - [ -0.0038943000000000, 0.0027222500000000, -0.0009159600000000 ] - [ -0.0001962300000000, 0.0000000000000000, -0.0003982800000000 ] - [ -0.0005658100000000, 0.0000000000000000, 0.0067346000000000 ] - [ 0.0008888700000000, -0.0004171300000000, 0.0000636300000000 ] - [ 0.0008888700000000, 0.0004171300000000, 0.0000636300000000 ] - [ 0.0664287600000000, 0.0000000000000000, -0.0551393800000000 ] - [ 0.0020804500000000, 0.0004636800000000, -0.0013931600000000 ] - [ 0.0020804500000000, -0.0004636800000000, -0.0013931600000000 ] - [ -0.1196863100000000, 0.0000000000000000, 0.3317841400000000 ] - [ -0.0000184500000000, -0.0000229900000000, -0.0007405300000000 ] - [ -0.0000184500000000, 0.0000229900000000, -0.0007405300000000 ] - [ 0.0036001000000000, 0.0000000000000000, -0.0113755700000000 ] - [ 0.0001964400000000, 0.0000114500000000, -0.0015619500000000 ] - [ 0.0001964400000000, -0.0000114500000000, -0.0015619500000000 ] - [ 0.0044896700000000, -0.0000099800000000, 0.0061047500000000 ] - [ 0.0044896700000000, 0.0000099800000000, 0.0061047500000000 ] - [ -0.0000167300000000, 0.0000000000000000, -0.0003741500000000 ] - [ -0.0022563900000000, -0.0000021000000000, -0.0059309600000000 ] - [ -0.0022563900000000, 0.0000021000000000, -0.0059309600000000 ] - [ -0.0000838500000000, 0.0000000000000000, -0.0002358900000000 ]