# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6fc3cb85-4002-44b0-885f-efe8ced27bec/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 GaCuO2 / P6_3/mmc (194) / materials id 11019](https://mdr.nims.go.jp/datasets/cd37b34d-d87a-4323-a206-5361cc9541bb) ## 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: "P6_3/mmc" number: 194 Hall_symbol: "-P 6c 2c"supercell_matrix:- [ 4, 0, 0 ]- [ 0, 4, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 2.968342530000000, 0.000000000000000, 0.000000000000000 ] # a - [ -1.484171260000000, 2.570660040000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.415361100000000 ] # c points: - symbol: O # 1 coordinates: [ 0.666666670000000, 0.333333330000000, 0.588687900000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.088687900000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.911312100000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.411312100000000 ] mass: 15.999400 - symbol: Cu # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.250000000000000 ] mass: 63.546000 - symbol: Cu # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.750000000000000 ] mass: 63.546000 - symbol: Ga # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 69.723000 - symbol: Ga # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 69.723000 reciprocal_lattice: # without 2pi - [ 0.336888344216798, 0.194502575422442, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.389005152155397, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.087601258623347 ] # c*unit_cell: lattice: - [ 2.968342530000000, 0.000000000000000, 0.000000000000000 ] # a - [ -1.484171260000000, 2.570660040000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.415361100000000 ] # c points: - symbol: O # 1 coordinates: [ 0.666666670000000, 0.333333330000000, 0.588687900000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.088687900000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.911312100000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.333333330000000, 0.666666670000000, 0.411312100000000 ] mass: 15.999400 reduced_to: 4 - symbol: Cu # 5 coordinates: [ 0.333333330000000, 0.666666670000000, 0.250000000000000 ] mass: 63.546000 reduced_to: 5 - symbol: Cu # 6 coordinates: [ 0.666666670000000, 0.333333330000000, 0.750000000000000 ] mass: 63.546000 reduced_to: 6 - symbol: Ga # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 7 - symbol: Ga # 8 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 8supercell: lattice: - [ 11.873370120000001, 0.000000000000000, 0.000000000000000 ] # a - [ -5.936685040000000, 10.282640160000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.415361100000000 ] # c points: - symbol: O # 1 coordinates: [ 0.166666667500000, 0.083333332500000, 0.588687900000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.416666667500000, 0.083333332500000, 0.588687900000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.666666667500000, 0.083333332500000, 0.588687900000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.916666667500000, 0.083333332500000, 0.588687900000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.166666667500000, 0.333333332500000, 0.588687900000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 6 coordinates: [ 0.416666667500000, 0.333333332500000, 0.588687900000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 7 coordinates: [ 0.666666667500000, 0.333333332500000, 0.588687900000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 8 coordinates: [ 0.916666667500000, 0.333333332500000, 0.588687900000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 9 coordinates: [ 0.166666667500000, 0.583333332500000, 0.588687900000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 10 coordinates: [ 0.416666667500000, 0.583333332500000, 0.588687900000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 11 coordinates: [ 0.666666667500000, 0.583333332500000, 0.588687900000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 12 coordinates: [ 0.916666667500000, 0.583333332500000, 0.588687900000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 13 coordinates: [ 0.166666667500000, 0.833333332500000, 0.588687900000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 14 coordinates: [ 0.416666667500000, 0.833333332500000, 0.588687900000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 15 coordinates: [ 0.666666667500000, 0.833333332500000, 0.588687900000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 16 coordinates: [ 0.916666667500000, 0.833333332500000, 0.588687900000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 17 coordinates: [ 0.083333332500000, 0.166666667500000, 0.088687900000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.333333332500000, 0.166666667500000, 0.088687900000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.583333332500000, 0.166666667500000, 0.088687900000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 20 coordinates: [ 0.833333332500000, 0.166666667500000, 0.088687900000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 21 coordinates: [ 0.083333332500000, 0.416666667500000, 0.088687900000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 22 coordinates: [ 0.333333332500000, 0.416666667500000, 0.088687900000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 23 coordinates: [ 0.583333332500000, 0.416666667500000, 0.088687900000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 24 coordinates: [ 0.833333332500000, 0.416666667500000, 0.088687900000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 25 coordinates: [ 0.083333332500000, 0.666666667500000, 0.088687900000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 26 coordinates: [ 0.333333332500000, 0.666666667500000, 0.088687900000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 27 coordinates: [ 0.583333332500000, 0.666666667500000, 0.088687900000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 28 coordinates: [ 0.833333332500000, 0.666666667500000, 0.088687900000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 29 coordinates: [ 0.083333332500000, 0.916666667500000, 0.088687900000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 30 coordinates: [ 0.333333332500000, 0.916666667500000, 0.088687900000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 31 coordinates: [ 0.583333332500000, 0.916666667500000, 0.088687900000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 32 coordinates: [ 0.833333332500000, 0.916666667500000, 0.088687900000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 33 coordinates: [ 0.166666667500000, 0.083333332500000, 0.911312100000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.416666667500000, 0.083333332500000, 0.911312100000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.666666667500000, 0.083333332500000, 0.911312100000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.916666667500000, 0.083333332500000, 0.911312100000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.166666667500000, 0.333333332500000, 0.911312100000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 38 coordinates: [ 0.416666667500000, 0.333333332500000, 0.911312100000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 39 coordinates: [ 0.666666667500000, 0.333333332500000, 0.911312100000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 40 coordinates: [ 0.916666667500000, 0.333333332500000, 0.911312100000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 41 coordinates: [ 0.166666667500000, 0.583333332500000, 0.911312100000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 42 coordinates: [ 0.416666667500000, 0.583333332500000, 0.911312100000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 43 coordinates: [ 0.666666667500000, 0.583333332500000, 0.911312100000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 44 coordinates: [ 0.916666667500000, 0.583333332500000, 0.911312100000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 45 coordinates: [ 0.166666667500000, 0.833333332500000, 0.911312100000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 46 coordinates: [ 0.416666667500000, 0.833333332500000, 0.911312100000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 47 coordinates: [ 0.666666667500000, 0.833333332500000, 0.911312100000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 48 coordinates: [ 0.916666667500000, 0.833333332500000, 0.911312100000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 49 coordinates: [ 0.083333332500000, 0.166666667500000, 0.411312100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.333333332500000, 0.166666667500000, 0.411312100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.583333332500000, 0.166666667500000, 0.411312100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.833333332500000, 0.166666667500000, 0.411312100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.083333332500000, 0.416666667500000, 0.411312100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 54 coordinates: [ 0.333333332500000, 0.416666667500000, 0.411312100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 55 coordinates: [ 0.583333332500000, 0.416666667500000, 0.411312100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 56 coordinates: [ 0.833333332500000, 0.416666667500000, 0.411312100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 57 coordinates: [ 0.083333332500000, 0.666666667500000, 0.411312100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 58 coordinates: [ 0.333333332500000, 0.666666667500000, 0.411312100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 59 coordinates: [ 0.583333332500000, 0.666666667500000, 0.411312100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 60 coordinates: [ 0.833333332500000, 0.666666667500000, 0.411312100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 61 coordinates: [ 0.083333332500000, 0.916666667500000, 0.411312100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 62 coordinates: [ 0.333333332500000, 0.916666667500000, 0.411312100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 63 coordinates: [ 0.583333332500000, 0.916666667500000, 0.411312100000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 64 coordinates: [ 0.833333332500000, 0.916666667500000, 0.411312100000000 ] mass: 15.999400 reduced_to: 49 - symbol: Cu # 65 coordinates: [ 0.083333332500000, 0.166666667500000, 0.250000000000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 66 coordinates: [ 0.333333332500000, 0.166666667500000, 0.250000000000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 67 coordinates: [ 0.583333332500000, 0.166666667500000, 0.250000000000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 68 coordinates: [ 0.833333332500000, 0.166666667500000, 0.250000000000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 69 coordinates: [ 0.083333332500000, 0.416666667500000, 0.250000000000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 70 coordinates: [ 0.333333332500000, 0.416666667500000, 0.250000000000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 71 coordinates: [ 0.583333332500000, 0.416666667500000, 0.250000000000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 72 coordinates: [ 0.833333332500000, 0.416666667500000, 0.250000000000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 73 coordinates: [ 0.083333332500000, 0.666666667500000, 0.250000000000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 74 coordinates: [ 0.333333332500000, 0.666666667500000, 0.250000000000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 75 coordinates: [ 0.583333332500000, 0.666666667500000, 0.250000000000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 76 coordinates: [ 0.833333332500000, 0.666666667500000, 0.250000000000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 77 coordinates: [ 0.083333332500000, 0.916666667500000, 0.250000000000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 78 coordinates: [ 0.333333332500000, 0.916666667500000, 0.250000000000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 79 coordinates: [ 0.583333332500000, 0.916666667500000, 0.250000000000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 80 coordinates: [ 0.833333332500000, 0.916666667500000, 0.250000000000000 ] mass: 63.546000 reduced_to: 65 - symbol: Cu # 81 coordinates: [ 0.166666667500000, 0.083333332500000, 0.750000000000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 82 coordinates: [ 0.416666667500000, 0.083333332500000, 0.750000000000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 83 coordinates: [ 0.666666667500000, 0.083333332500000, 0.750000000000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 84 coordinates: [ 0.916666667500000, 0.083333332500000, 0.750000000000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 85 coordinates: [ 0.166666667500000, 0.333333332500000, 0.750000000000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 86 coordinates: [ 0.416666667500000, 0.333333332500000, 0.750000000000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 87 coordinates: [ 0.666666667500000, 0.333333332500000, 0.750000000000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 88 coordinates: [ 0.916666667500000, 0.333333332500000, 0.750000000000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 89 coordinates: [ 0.166666667500000, 0.583333332500000, 0.750000000000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 90 coordinates: [ 0.416666667500000, 0.583333332500000, 0.750000000000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 91 coordinates: [ 0.666666667500000, 0.583333332500000, 0.750000000000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 92 coordinates: [ 0.916666667500000, 0.583333332500000, 0.750000000000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 93 coordinates: [ 0.166666667500000, 0.833333332500000, 0.750000000000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 94 coordinates: [ 0.416666667500000, 0.833333332500000, 0.750000000000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 95 coordinates: [ 0.666666667500000, 0.833333332500000, 0.750000000000000 ] mass: 63.546000 reduced_to: 81 - symbol: Cu # 96 coordinates: [ 0.916666667500000, 0.833333332500000, 0.750000000000000 ] mass: 63.546000 reduced_to: 81 - symbol: Ga # 97 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 97 - symbol: Ga # 98 coordinates: [ 0.250000000000000, 0.000000000000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 97 - symbol: Ga # 99 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 97 - symbol: Ga # 100 coordinates: [ 0.750000000000000, 0.000000000000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 97 - symbol: Ga # 101 coordinates: [ 0.000000000000000, 0.250000000000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 97 - symbol: Ga # 102 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 97 - symbol: Ga # 103 coordinates: [ 0.500000000000000, 0.250000000000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 97 - symbol: Ga # 104 coordinates: [ 0.750000000000000, 0.250000000000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 97 - symbol: Ga # 105 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 97 - symbol: Ga # 106 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 97 - symbol: Ga # 107 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 97 - symbol: Ga # 108 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 97 - symbol: Ga # 109 coordinates: [ 0.000000000000000, 0.750000000000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 97 - symbol: Ga # 110 coordinates: [ 0.250000000000000, 0.750000000000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 97 - symbol: Ga # 111 coordinates: [ 0.500000000000000, 0.750000000000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 97 - symbol: Ga # 112 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 69.723000 reduced_to: 97 - symbol: Ga # 113 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 113 - symbol: Ga # 114 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 113 - symbol: Ga # 115 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 113 - symbol: Ga # 116 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 113 - symbol: Ga # 117 coordinates: [ 0.000000000000000, 0.250000000000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 113 - symbol: Ga # 118 coordinates: [ 0.250000000000000, 0.250000000000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 113 - symbol: Ga # 119 coordinates: [ 0.500000000000000, 0.250000000000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 113 - symbol: Ga # 120 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 113 - symbol: Ga # 121 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 113 - symbol: Ga # 122 coordinates: [ 0.250000000000000, 0.500000000000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 113 - symbol: Ga # 123 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 113 - symbol: Ga # 124 coordinates: [ 0.750000000000000, 0.500000000000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 113 - symbol: Ga # 125 coordinates: [ 0.000000000000000, 0.750000000000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 113 - symbol: Ga # 126 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 113 - symbol: Ga # 127 coordinates: [ 0.500000000000000, 0.750000000000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 113 - symbol: Ga # 128 coordinates: [ 0.750000000000000, 0.750000000000000, 0.500000000000000 ] mass: 69.723000 reduced_to: 113born_effective_charge:- # 1 (O) - [ -2.056135530000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.056135530000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.161465690000000 ]- # 2 (O) - [ -2.056135530000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -2.056135530000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.161465690000000 ]- # 3 (O) - [ -2.056135530000000, 0.000000000000000, 0.000000000000000 ] - [ -0.000000000000000, -2.056135530000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.161465690000000 ]- # 4 (O) - [ -2.056135530000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.056135530000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.161465690000000 ]- # 5 (Cu) - [ 0.715573120000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.715573120000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.532286770000000 ]- # 6 (Cu) - [ 0.715573120000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 0.715573120000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.532286770000000 ]- # 7 (Ga) - [ 3.396697940000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.396697940000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.790644610000000 ]- # 8 (Ga) - [ 3.396697940000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.396697940000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.790644610000000 ]dielectric_constant: - [ 6.495583830000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 6.495583830000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 5.033670780000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1143515100000000, 0.0011342700000000, 0.0014894400000000 ] - [ 0.0152814800000000, 0.0004050500000000, -0.0003945700000000 ] - [ 0.0036041600000000, 0.0000003100000000, -0.0000797500000000 ] - [ 0.0149766600000000, -0.0003861900000000, 0.0002466600000000 ] - [ 0.0015389200000000, -0.0074494300000000, -0.0000368300000000 ] - [ 0.0015015800000000, 0.0074715500000000, -0.0001071400000000 ] - [ 0.0011451500000000, 0.0009243600000000, -0.0000853900000000 ] - [ 0.0011441800000000, -0.0009196700000000, -0.0000752000000000 ] - [ 0.0006450000000000, -0.0017150900000000, -0.0002114900000000 ] - [ -0.0004530200000000, -0.0000040400000000, -0.0000736400000000 ] - [ 0.0006422400000000, 0.0017045000000000, 0.0000782600000000 ] - [ -0.0004524900000000, -0.0000033600000000, -0.0000767200000000 ] - [ 0.0015190900000000, -0.0082911800000000, -0.0003521900000000 ] - [ 0.0011468900000000, -0.0009295900000000, -0.0001345400000000 ] - [ 0.0011430600000000, 0.0009139800000000, -0.0000178100000000 ] - [ 0.0015212200000000, 0.0082136500000000, 0.0002127500000000 ] - [ -0.0005691000000000, 0.0003049400000000, 0.0003682300000000 ] - [ -0.0005661900000000, -0.0002974300000000, -0.0005050200000000 ] - [ 0.0003081200000000, 0.0000227900000000, -0.0000839700000000 ] - [ 0.0003073200000000, -0.0000169900000000, -0.0000546800000000 ] - [ 0.0000244400000000, -0.0001828300000000, -0.0000108800000000 ] - [ -0.0002875700000000, 0.0000020600000000, -0.0000714600000000 ] - [ 0.0000227200000000, 0.0001860700000000, -0.0001271400000000 ] - [ 0.0002402600000000, 0.0000020100000000, -0.0000670200000000 ] - [ -0.0000120300000000, -0.0001616100000000, -0.0000229400000000 ] - [ 0.0000062900000000, -0.0001417100000000, -0.0000432400000000 ] - [ 0.0000066700000000, 0.0001455300000000, -0.0000977200000000 ] - [ -0.0000099200000000, 0.0001663600000000, -0.0001078300000000 ] - [ -0.0000464900000000, 0.0000002400000000, -0.0000635100000000 ] - [ 0.0000263700000000, -0.0001788200000000, -0.0000150500000000 ] - [ 0.0002560800000000, 0.0000026200000000, -0.0000691700000000 ] - [ 0.0000253100000000, 0.0001830700000000, -0.0001173600000000 ] - [ -0.0054940800000000, 0.0000073000000000, 0.0001022400000000 ] - [ 0.0000274500000000, -0.0000203600000000, 0.0006126100000000 ] - [ 0.0006004000000000, -0.0000016800000000, 0.0000806900000000 ] - [ 0.0000284000000000, 0.0000171200000000, -0.0004599300000000 ] - [ -0.0002411700000000, -0.0001778200000000, -0.0001786600000000 ] - [ -0.0002418300000000, 0.0001724800000000, 0.0003153800000000 ] - [ 0.0002832500000000, 0.0001792600000000, 0.0002678500000000 ] - [ 0.0002830900000000, -0.0001842500000000, -0.0001073800000000 ] - [ 0.0000596500000000, -0.0003155500000000, 0.0000656000000000 ] - [ -0.0000296000000000, -0.0000043600000000, 0.0000731300000000 ] - [ 0.0000581700000000, 0.0003083200000000, 0.0000680600000000 ] - [ -0.0000311200000000, -0.0000021600000000, 0.0000757800000000 ] - [ -0.0002425000000000, -0.0001391700000000, 0.0003609300000000 ] - [ 0.0002835300000000, -0.0001830700000000, 0.0002707500000000 ] - [ 0.0002835400000000, 0.0001794400000000, -0.0001181000000000 ] - [ -0.0002409000000000, 0.0001345100000000, -0.0002126200000000 ] - [ 0.0048757000000000, -0.0063149600000000, 0.0166447000000000 ] - [ 0.0048694100000000, 0.0063967900000000, -0.0166535200000000 ] - [ 0.0018849700000000, 0.0004539500000000, -0.0011592200000000 ] - [ 0.0018807900000000, -0.0004418300000000, 0.0012806900000000 ] - [ 0.0006190700000000, -0.0011774600000000, 0.0005214500000000 ] - [ -0.0016152900000000, -0.0000005400000000, 0.0000735400000000 ] - [ 0.0006150700000000, 0.0011810400000000, -0.0003810900000000 ] - [ 0.0006833200000000, 0.0000030800000000, 0.0000667600000000 ] - [ -0.0001617600000000, -0.0007283300000000, -0.0007040200000000 ] - [ 0.0001045900000000, -0.0004387400000000, -0.0000789800000000 ] - [ 0.0001036400000000, 0.0004414900000000, 0.0002210600000000 ] - [ -0.0001577700000000, 0.0007339900000000, 0.0008329600000000 ] - [ -0.0061368200000000, 0.0000200900000000, 0.0000856500000000 ] - [ 0.0007292700000000, -0.0013538800000000, -0.0014094100000000 ] - [ 0.0008650200000000, 0.0000009900000000, 0.0000685800000000 ] - [ 0.0007501000000000, 0.0013630300000000, 0.0015433300000000 ] - [ 0.0007948600000000, -0.0007407800000000, -0.0023845900000000 ] - [ 0.0007937000000000, 0.0007435300000000, 0.0023876600000000 ] - [ -0.0000506900000000, 0.0000466600000000, 0.0003857000000000 ] - [ -0.0000499300000000, -0.0000451300000000, -0.0003832900000000 ] - [ 0.0000262800000000, 0.0000498900000000, -0.0002445600000000 ] - [ -0.0000039300000000, -0.0000001200000000, -0.0000000100000000 ] - [ 0.0000256700000000, -0.0000518700000000, 0.0002455900000000 ] - [ -0.0000689000000000, -0.0000008200000000, 0.0000003200000000 ] - [ -0.0000075400000000, 0.0000171600000000, 0.0001383700000000 ] - [ -0.0000143500000000, 0.0000470800000000, 0.0000451500000000 ] - [ -0.0000137300000000, -0.0000473400000000, -0.0000448100000000 ] - [ -0.0000085900000000, -0.0000168200000000, -0.0001395300000000 ] - [ -0.0004919800000000, 0.0000029300000000, -0.0000043200000000 ] - [ -0.0000259400000000, 0.0000138200000000, 0.0004551900000000 ] - [ -0.0000963600000000, 0.0000002900000000, -0.0000003500000000 ] - [ -0.0000265800000000, -0.0000136100000000, -0.0004573700000000 ] - [ 0.0120526100000000, -0.0000604000000000, -0.0003624400000000 ] - [ 0.0008312100000000, -0.0000180000000000, -0.0019024900000000 ] - [ -0.0004537100000000, 0.0000010400000000, -0.0000038300000000 ] - [ 0.0008272000000000, 0.0000196400000000, 0.0018821500000000 ] - [ 0.0003362000000000, -0.0003887400000000, 0.0008255300000000 ] - [ 0.0003317100000000, 0.0003843400000000, -0.0008243800000000 ] - [ -0.0002064600000000, -0.0001363600000000, -0.0002532200000000 ] - [ -0.0002064200000000, 0.0001336000000000, 0.0002532500000000 ] - [ -0.0000634900000000, 0.0002255400000000, 0.0000178000000000 ] - [ 0.0000602500000000, 0.0000000400000000, -0.0000033000000000 ] - [ -0.0000636000000000, -0.0002255000000000, -0.0000185100000000 ] - [ 0.0000281000000000, -0.0000001500000000, -0.0000011500000000 ] - [ 0.0002613600000000, -0.0002246500000000, -0.0010673000000000 ] - [ -0.0002006200000000, 0.0001506900000000, -0.0002536300000000 ] - [ -0.0001991600000000, -0.0001491900000000, 0.0002515100000000 ] - [ 0.0002645800000000, 0.0002281400000000, 0.0010639400000000 ] - [ 0.0007930800000000, -0.0000283000000000, 0.0001985600000000 ] - [ 0.0007973900000000, 0.0000294100000000, -0.0002015200000000 ] - [ -0.0006468100000000, 0.0001712800000000, -0.0002193900000000 ] - [ -0.0006469200000000, -0.0001688900000000, 0.0002184700000000 ] - [ -0.0001146500000000, 0.0003389400000000, 0.0002702800000000 ] - [ 0.0008461000000000, -0.0000021500000000, 0.0000009200000000 ] - [ -0.0001088900000000, -0.0003441300000000, -0.0002714200000000 ] - [ -0.0006718700000000, -0.0000002700000000, 0.0000002700000000 ] - [ -0.0001561100000000, 0.0002961600000000, 0.0000692000000000 ] - [ 0.0001585700000000, 0.0003873600000000, 0.0001586100000000 ] - [ 0.0001597400000000, -0.0003862100000000, -0.0001579600000000 ] - [ -0.0001547100000000, -0.0003001300000000, -0.0000691300000000 ] - [ 0.0004804700000000, 0.0000008700000000, -0.0000008400000000 ] - [ -0.0000567700000000, 0.0004215200000000, -0.0000620300000000 ] - [ -0.0003746200000000, 0.0000031000000000, -0.0000000600000000 ] - [ -0.0000568000000000, -0.0004184500000000, 0.0000607900000000 ] - [ 0.0269117300000000, 0.0073207500000000, 0.0083129900000000 ] - [ 0.0283097100000000, -0.0083483700000000, -0.0094885400000000 ] - [ -0.0045777100000000, 0.0023247500000000, 0.0024655300000000 ] - [ -0.0045625100000000, -0.0022975300000000, -0.0024338700000000 ] - [ -0.0037760300000000, 0.0045017500000000, -0.0013368200000000 ] - [ 0.0140478300000000, -0.0001186300000000, 0.0000371700000000 ] - [ -0.0037605400000000, -0.0045442000000000, 0.0013632600000000 ] - [ -0.0025286200000000, -0.0000052500000000, 0.0000016700000000 ] - [ -0.0005633300000000, 0.0011329800000000, -0.0001477300000000 ] - [ 0.0007241600000000, 0.0025265100000000, -0.0012613000000000 ] - [ 0.0007220100000000, -0.0025135600000000, 0.0012590600000000 ] - [ -0.0005583300000000, -0.0011382900000000, 0.0001504500000000 ] - [ 0.0040643500000000, -0.0000067200000000, 0.0000114300000000 ] - [ -0.0017403200000000, 0.0021705100000000, 0.0011922500000000 ] - [ -0.0011779100000000, 0.0000028100000000, 0.0000023400000000 ] - [ -0.0017439200000000, -0.0021666700000000, -0.0011875700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.2274429800000000 ] - [ 0.0002949800000000, 0.0001403000000000, -0.0040897000000000 ] - [ 0.0000000000000000, 0.0001782200000000, -0.0012530400000000 ] - [ -0.0002949800000000, 0.0001403000000000, -0.0040897000000000 ] - [ -0.0002689900000000, 0.0001853100000000, -0.0040897000000000 ] - [ 0.0002689900000000, 0.0001853100000000, -0.0040897000000000 ] - [ 0.0000578300000000, 0.0000333900000000, -0.0011802900000000 ] - [ -0.0000578300000000, 0.0000333900000000, -0.0011802900000000 ] - [ -0.0001543500000000, -0.0000891100000000, -0.0012530400000000 ] - [ 0.0000000000000000, 0.0000014300000000, -0.0011877500000000 ] - [ 0.0001543500000000, -0.0000891100000000, -0.0012530400000000 ] - [ 0.0000000000000000, -0.0000667800000000, -0.0011802900000000 ] - [ 0.0000259900000000, -0.0003256100000000, -0.0040897000000000 ] - [ 0.0000012400000000, -0.0000007100000000, -0.0011877500000000 ] - [ -0.0000012400000000, -0.0000007100000000, -0.0011877500000000 ] - [ -0.0000259900000000, -0.0003256100000000, -0.0040897000000000 ] - [ -0.0004414600000000, 0.0002548800000000, 0.0019998300000000 ] - [ 0.0004414600000000, 0.0002548800000000, 0.0019998300000000 ] - [ 0.0000159100000000, 0.0000631000000000, 0.0009607600000000 ] - [ -0.0000159100000000, 0.0000631000000000, 0.0009607600000000 ] - [ -0.0000626000000000, -0.0000177700000000, 0.0009607600000000 ] - [ 0.0000000000000000, -0.0000637300000000, 0.0010468400000000 ] - [ 0.0000626000000000, -0.0000177700000000, 0.0009607600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007126100000000 ] - [ -0.0000466900000000, -0.0000453300000000, 0.0009607600000000 ] - [ -0.0000312700000000, -0.0000180500000000, 0.0006972000000000 ] - [ 0.0000312700000000, -0.0000180500000000, 0.0006972000000000 ] - [ 0.0000466900000000, -0.0000453300000000, 0.0009607600000000 ] - [ 0.0000000000000000, -0.0005097500000000, 0.0019998300000000 ] - [ -0.0000551900000000, 0.0000318600000000, 0.0010468400000000 ] - [ 0.0000000000000000, 0.0000361100000000, 0.0006972000000000 ] - [ 0.0000551900000000, 0.0000318600000000, 0.0010468400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0031366100000000 ] - [ 0.0005403300000000, 0.0000249400000000, 0.0013727400000000 ] - [ 0.0000000000000000, 0.0000125000000000, 0.0008898100000000 ] - [ -0.0005403300000000, 0.0000249400000000, 0.0013727400000000 ] - [ -0.0002917600000000, 0.0004554700000000, 0.0013727400000000 ] - [ 0.0002917600000000, 0.0004554700000000, 0.0013727400000000 ] - [ 0.0001980300000000, 0.0001143300000000, 0.0008599500000000 ] - [ -0.0001980300000000, 0.0001143300000000, 0.0008599500000000 ] - [ -0.0000108300000000, -0.0000062500000000, 0.0008898100000000 ] - [ 0.0000000000000000, 0.0002140000000000, 0.0008632800000000 ] - [ 0.0000108300000000, -0.0000062500000000, 0.0008898100000000 ] - [ 0.0000000000000000, -0.0002286700000000, 0.0008599500000000 ] - [ 0.0002485700000000, -0.0004804100000000, 0.0013727400000000 ] - [ 0.0001853300000000, -0.0001070000000000, 0.0008632800000000 ] - [ -0.0001853300000000, -0.0001070000000000, 0.0008632800000000 ] - [ -0.0002485700000000, -0.0004804100000000, 0.0013727400000000 ] - [ 0.0165031300000000, -0.0095280900000000, 0.0165936500000000 ] - [ -0.0165031300000000, -0.0095280900000000, 0.0165936500000000 ] - [ -0.0012177800000000, 0.0001850500000000, -0.0009664700000000 ] - [ 0.0012177800000000, 0.0001850500000000, -0.0009664700000000 ] - [ 0.0004486400000000, -0.0011471500000000, -0.0009664700000000 ] - [ 0.0000000000000000, -0.0017160100000000, -0.0008545800000000 ] - [ -0.0004486400000000, -0.0011471500000000, -0.0009664700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004806000000000 ] - [ -0.0007691500000000, 0.0009621100000000, -0.0009664700000000 ] - [ -0.0001532500000000, -0.0000884800000000, -0.0005074900000000 ] - [ 0.0001532500000000, -0.0000884800000000, -0.0005074900000000 ] - [ 0.0007691500000000, 0.0009621100000000, -0.0009664700000000 ] - [ 0.0000000000000000, 0.0190561700000000, 0.0165936500000000 ] - [ -0.0014861000000000, 0.0008580000000000, -0.0008545800000000 ] - [ 0.0000000000000000, 0.0001769600000000, -0.0005074900000000 ] - [ 0.0014861000000000, 0.0008580000000000, -0.0008545800000000 ] - [ 0.0009959000000000, -0.0005749800000000, -0.0034533300000000 ] - [ -0.0009959000000000, -0.0005749800000000, -0.0034533300000000 ] - [ 0.0001080300000000, 0.0000700800000000, -0.0003519700000000 ] - [ -0.0001080300000000, 0.0000700800000000, -0.0003519700000000 ] - [ -0.0001147100000000, 0.0000585100000000, -0.0003519700000000 ] - [ 0.0000000000000000, 0.0001991800000000, -0.0004422300000000 ] - [ 0.0001147100000000, 0.0000585100000000, -0.0003519700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002224600000000 ] - [ -0.0000066800000000, -0.0001286000000000, -0.0003519700000000 ] - [ 0.0000394600000000, 0.0000227800000000, -0.0001998200000000 ] - [ -0.0000394600000000, 0.0000227800000000, -0.0001998200000000 ] - [ 0.0000066800000000, -0.0001286000000000, -0.0003519700000000 ] - [ 0.0000000000000000, 0.0011499600000000, -0.0034533300000000 ] - [ 0.0001724900000000, -0.0000995900000000, -0.0004422300000000 ] - [ 0.0000000000000000, -0.0000455700000000, -0.0001998200000000 ] - [ -0.0001724900000000, -0.0000995900000000, -0.0004422300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1195357900000000 ] - [ 0.0007422700000000, 0.0000650800000000, 0.0009544700000000 ] - [ 0.0000000000000000, 0.0000285100000000, 0.0001294900000000 ] - [ -0.0007422700000000, 0.0000650800000000, 0.0009544700000000 ] - [ -0.0004275000000000, 0.0006102800000000, 0.0009544700000000 ] - [ 0.0004275000000000, 0.0006102800000000, 0.0009544700000000 ] - [ -0.0002015400000000, -0.0001163600000000, 0.0001839600000000 ] - [ 0.0002015400000000, -0.0001163600000000, 0.0001839600000000 ] - [ -0.0000246900000000, -0.0000142500000000, 0.0001294900000000 ] - [ 0.0000000000000000, -0.0002711900000000, 0.0001545900000000 ] - [ 0.0000246900000000, -0.0000142500000000, 0.0001294900000000 ] - [ 0.0000000000000000, 0.0002327200000000, 0.0001839600000000 ] - [ 0.0003147700000000, -0.0006753600000000, 0.0009544700000000 ] - [ -0.0002348600000000, 0.0001356000000000, 0.0001545900000000 ] - [ 0.0002348600000000, 0.0001356000000000, 0.0001545900000000 ] - [ -0.0003147700000000, -0.0006753600000000, 0.0009544700000000 ] - [ 0.0011249400000000, 0.0006494800000000, -0.0026593000000000 ] - [ -0.0011249400000000, 0.0006494800000000, -0.0026593000000000 ] - [ -0.0002501700000000, 0.0002128300000000, -0.0013080500000000 ] - [ 0.0002501700000000, 0.0002128300000000, -0.0013080500000000 ] - [ 0.0001760200000000, -0.0001016200000000, -0.0015461800000000 ] - [ 0.0000000000000000, -0.0012989700000000, -0.0026593000000000 ] - [ -0.0001760200000000, -0.0001016200000000, -0.0015461800000000 ] - [ 0.0000000000000000, 0.0000232200000000, -0.0010196700000000 ] - [ -0.0000201100000000, -0.0000116100000000, -0.0010196700000000 ] - [ -0.0000592300000000, -0.0003230700000000, -0.0013080500000000 ] - [ 0.0000592300000000, -0.0003230700000000, -0.0013080500000000 ] - [ 0.0000201100000000, -0.0000116100000000, -0.0010196700000000 ] - [ 0.0000000000000000, 0.0002032500000000, -0.0015461800000000 ] - [ -0.0003094000000000, 0.0001102400000000, -0.0013080500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009615100000000 ] - [ 0.0003094000000000, 0.0001102400000000, -0.0013080500000000 ] - [ 0.0111056700000000, 0.0064118600000000, 0.0225551000000000 ] - [ -0.0111056700000000, 0.0064118600000000, 0.0225551000000000 ] - [ 0.0004304800000000, -0.0000451200000000, 0.0016700400000000 ] - [ -0.0004304800000000, -0.0000451200000000, 0.0016700400000000 ] - [ -0.0033603300000000, 0.0019400900000000, 0.0052737200000000 ] - [ 0.0000000000000000, -0.0128237300000000, 0.0225551000000000 ] - [ 0.0033603300000000, 0.0019400900000000, 0.0052737200000000 ] - [ 0.0000000000000000, 0.0003968000000000, 0.0014748000000000 ] - [ -0.0003436400000000, -0.0001984000000000, 0.0014748000000000 ] - [ -0.0001761700000000, 0.0003953600000000, 0.0016700400000000 ] - [ 0.0001761700000000, 0.0003953600000000, 0.0016700400000000 ] - [ 0.0003436400000000, -0.0001984000000000, 0.0014748000000000 ] - [ 0.0000000000000000, -0.0038801800000000, 0.0052737200000000 ] - [ 0.0002543100000000, -0.0003502500000000, 0.0016700400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010159700000000 ] - [ -0.0002543100000000, -0.0003502500000000, 0.0016700400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.2215083500000000 ] - [ -0.0003393000000000, -0.0001476700000000, 0.0039204300000000 ] - [ 0.0000000000000000, -0.0001792800000000, 0.0011071400000000 ] - [ 0.0003393000000000, -0.0001476700000000, 0.0039204300000000 ] - [ 0.0002975400000000, -0.0002200100000000, 0.0039204300000000 ] - [ -0.0002975400000000, -0.0002200100000000, 0.0039204300000000 ] - [ -0.0000607100000000, -0.0000350500000000, 0.0010308100000000 ] - [ 0.0000607100000000, -0.0000350500000000, 0.0010308100000000 ] - [ 0.0001552600000000, 0.0000896400000000, 0.0011071400000000 ] - [ 0.0000000000000000, -0.0000073900000000, 0.0010301900000000 ] - [ -0.0001552600000000, 0.0000896400000000, 0.0011071400000000 ] - [ 0.0000000000000000, 0.0000701000000000, 0.0010308100000000 ] - [ -0.0000417600000000, 0.0003676800000000, 0.0039204300000000 ] - [ -0.0000064000000000, 0.0000036900000000, 0.0010301900000000 ] - [ 0.0000064000000000, 0.0000036900000000, 0.0010301900000000 ] - [ 0.0000417600000000, 0.0003676800000000, 0.0039204300000000 ] - [ 0.0004315000000000, -0.0002491300000000, -0.0021408400000000 ] - [ -0.0004315000000000, -0.0002491300000000, -0.0021408400000000 ] - [ -0.0000108600000000, -0.0000615400000000, -0.0011113200000000 ] - [ 0.0000108600000000, -0.0000615400000000, -0.0011113200000000 ] - [ 0.0000587300000000, 0.0000213600000000, -0.0011113200000000 ] - [ 0.0000000000000000, 0.0000663800000000, -0.0011978200000000 ] - [ -0.0000587300000000, 0.0000213600000000, -0.0011113200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008709800000000 ] - [ 0.0000478600000000, 0.0000401800000000, -0.0011113200000000 ] - [ 0.0000301600000000, 0.0000174100000000, -0.0008489200000000 ] - [ -0.0000301600000000, 0.0000174100000000, -0.0008489200000000 ] - [ -0.0000478600000000, 0.0000401800000000, -0.0011113200000000 ] - [ 0.0000000000000000, 0.0004982600000000, -0.0021408400000000 ] - [ 0.0000574800000000, -0.0000331900000000, -0.0011978200000000 ] - [ 0.0000000000000000, -0.0000348200000000, -0.0008489200000000 ] - [ -0.0000574800000000, -0.0000331900000000, -0.0011978200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027489400000000 ] - [ -0.0005280100000000, -0.0000249000000000, -0.0012121800000000 ] - [ 0.0000000000000000, -0.0000104000000000, -0.0007408300000000 ] - [ 0.0005280100000000, -0.0000249000000000, -0.0012121800000000 ] - [ 0.0002855700000000, -0.0004448200000000, -0.0012121800000000 ] - [ -0.0002855700000000, -0.0004448200000000, -0.0012121800000000 ] - [ -0.0001943900000000, -0.0001122300000000, -0.0007073200000000 ] - [ 0.0001943900000000, -0.0001122300000000, -0.0007073200000000 ] - [ 0.0000090000000000, 0.0000052000000000, -0.0007408300000000 ] - [ 0.0000000000000000, -0.0002143000000000, -0.0007091800000000 ] - [ -0.0000090000000000, 0.0000052000000000, -0.0007408300000000 ] - [ 0.0000000000000000, 0.0002244700000000, -0.0007073200000000 ] - [ -0.0002424400000000, 0.0004697200000000, -0.0012121800000000 ] - [ -0.0001855900000000, 0.0001071500000000, -0.0007091800000000 ] - [ 0.0001855900000000, 0.0001071500000000, -0.0007091800000000 ] - [ 0.0002424400000000, 0.0004697200000000, -0.0012121800000000 ] - [ -0.0167960100000000, 0.0096971800000000, -0.0166668900000000 ] - [ 0.0167960100000000, 0.0096971800000000, -0.0166668900000000 ] - [ 0.0012247200000000, -0.0001902900000000, 0.0011229300000000 ] - [ -0.0012247200000000, -0.0001902900000000, 0.0011229300000000 ] - [ -0.0004475600000000, 0.0011557800000000, 0.0011229300000000 ] - [ 0.0000000000000000, 0.0017051500000000, 0.0010194200000000 ] - [ 0.0004475600000000, 0.0011557800000000, 0.0011229300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006364700000000 ] - [ 0.0007771600000000, -0.0009654900000000, 0.0011229300000000 ] - [ 0.0001535400000000, 0.0000886400000000, 0.0006607800000000 ] - [ -0.0001535400000000, 0.0000886400000000, 0.0006607800000000 ] - [ -0.0007771600000000, -0.0009654900000000, 0.0011229300000000 ] - [ 0.0000000000000000, -0.0193943600000000, -0.0166668900000000 ] - [ 0.0014767100000000, -0.0008525800000000, 0.0010194200000000 ] - [ 0.0000000000000000, -0.0001772900000000, 0.0006607800000000 ] - [ -0.0014767100000000, -0.0008525800000000, 0.0010194200000000 ] - [ -0.0010017900000000, 0.0005783900000000, 0.0034645800000000 ] - [ 0.0010017900000000, 0.0005783900000000, 0.0034645800000000 ] - [ -0.0001109200000000, -0.0000702500000000, 0.0003498500000000 ] - [ 0.0001109200000000, -0.0000702500000000, 0.0003498500000000 ] - [ 0.0001163000000000, -0.0000609300000000, 0.0003498500000000 ] - [ 0.0000000000000000, -0.0002014700000000, 0.0004404000000000 ] - [ -0.0001163000000000, -0.0000609300000000, 0.0003498500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002190100000000 ] - [ 0.0000053800000000, 0.0001311800000000, 0.0003498500000000 ] - [ -0.0000402600000000, -0.0000232400000000, 0.0001980800000000 ] - [ 0.0000402600000000, -0.0000232400000000, 0.0001980800000000 ] - [ -0.0000053800000000, 0.0001311800000000, 0.0003498500000000 ] - [ 0.0000000000000000, -0.0011567700000000, 0.0034645800000000 ] - [ -0.0001744800000000, 0.0001007300000000, 0.0004404000000000 ] - [ 0.0000000000000000, 0.0000464900000000, 0.0001980800000000 ] - [ 0.0001744800000000, 0.0001007300000000, 0.0004404000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1122815400000000 ] - [ -0.0007521300000000, -0.0000648700000000, -0.0009455800000000 ] - [ 0.0000000000000000, -0.0000271500000000, -0.0001267400000000 ] - [ 0.0007521300000000, -0.0000648700000000, -0.0009455800000000 ] - [ 0.0004322500000000, -0.0006189200000000, -0.0009455800000000 ] - [ -0.0004322500000000, -0.0006189200000000, -0.0009455800000000 ] - [ 0.0002000600000000, 0.0001155000000000, -0.0001833800000000 ] - [ -0.0002000600000000, 0.0001155000000000, -0.0001833800000000 ] - [ 0.0000235100000000, 0.0000135700000000, -0.0001267400000000 ] - [ 0.0000000000000000, 0.0002684100000000, -0.0001523900000000 ] - [ -0.0000235100000000, 0.0000135700000000, -0.0001267400000000 ] - [ 0.0000000000000000, -0.0002310100000000, -0.0001833800000000 ] - [ -0.0003198800000000, 0.0006838000000000, -0.0009455800000000 ] - [ 0.0002324500000000, -0.0001342100000000, -0.0001523900000000 ] - [ -0.0002324500000000, -0.0001342100000000, -0.0001523900000000 ] - [ 0.0003198800000000, 0.0006838000000000, -0.0009455800000000 ] - [ -0.0010930500000000, -0.0006310700000000, 0.0026463000000000 ] - [ 0.0010930500000000, -0.0006310700000000, 0.0026463000000000 ] - [ 0.0002465100000000, -0.0002094200000000, 0.0013058900000000 ] - [ -0.0002465100000000, -0.0002094200000000, 0.0013058900000000 ] - [ -0.0001679600000000, 0.0000969700000000, 0.0015475500000000 ] - [ 0.0000000000000000, 0.0012621500000000, 0.0026463000000000 ] - [ 0.0001679600000000, 0.0000969700000000, 0.0015475500000000 ] - [ 0.0000000000000000, -0.0000244400000000, 0.0010210500000000 ] - [ 0.0000211700000000, 0.0000122200000000, 0.0010210500000000 ] - [ 0.0000581100000000, 0.0003181900000000, 0.0013058900000000 ] - [ -0.0000581100000000, 0.0003181900000000, 0.0013058900000000 ] - [ -0.0000211700000000, 0.0000122200000000, 0.0010210500000000 ] - [ 0.0000000000000000, -0.0001939500000000, 0.0015475500000000 ] - [ 0.0003046200000000, -0.0001087800000000, 0.0013058900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009621100000000 ] - [ -0.0003046200000000, -0.0001087800000000, 0.0013058900000000 ] - [ -0.0119228600000000, -0.0068836700000000, -0.0228633200000000 ] - [ 0.0119228600000000, -0.0068836700000000, -0.0228633200000000 ] - [ -0.0004188700000000, 0.0000403700000000, -0.0016842700000000 ] - [ 0.0004188700000000, 0.0000403700000000, -0.0016842700000000 ] - [ 0.0033497300000000, -0.0019339700000000, -0.0053074400000000 ] - [ 0.0000000000000000, 0.0137673300000000, -0.0228633200000000 ] - [ -0.0033497300000000, -0.0019339700000000, -0.0053074400000000 ] - [ 0.0000000000000000, -0.0003962200000000, -0.0014804700000000 ] - [ 0.0003431400000000, 0.0001981100000000, -0.0014804700000000 ] - [ 0.0001744700000000, -0.0003829400000000, -0.0016842700000000 ] - [ -0.0001744700000000, -0.0003829400000000, -0.0016842700000000 ] - [ -0.0003431400000000, 0.0001981100000000, -0.0014804700000000 ] - [ 0.0000000000000000, 0.0038679300000000, -0.0053074400000000 ] - [ -0.0002444000000000, 0.0003425700000000, -0.0016842700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010213400000000 ] - [ 0.0002444000000000, 0.0003425700000000, -0.0016842700000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0008200000000000, -0.0007512500000000, 0.0009218600000000 ] - [ -0.0000432800000000, 0.0000071200000000, -0.0002021200000000 ] - [ -0.0000461300000000, -0.0000074100000000, 0.0000118300000000 ] - [ 0.0007777400000000, 0.0007321000000000, -0.0010803000000000 ] - [ -0.0004855800000000, 0.0000209600000000, -0.0000747200000000 ] - [ -0.0000178300000000, -0.0000145900000000, -0.0002668500000000 ] - [ -0.0000899300000000, -0.0000024800000000, -0.0000959400000000 ] - [ -0.0000263300000000, 0.0000126600000000, 0.0000751900000000 ] - [ -0.0000049900000000, 0.0000694900000000, -0.0001011600000000 ] - [ -0.0000019800000000, -0.0000719600000000, -0.0000876400000000 ] - [ -0.0000086900000000, -0.0000506100000000, -0.0001355800000000 ] - [ -0.0000085700000000, 0.0000427400000000, -0.0000511500000000 ] - [ 0.0000322600000000, -0.0000072800000000, -0.0002053500000000 ] - [ -0.0000647300000000, -0.0000023200000000, -0.0000907000000000 ] - [ 0.0000298100000000, -0.0000012400000000, 0.0000262900000000 ] - [ 0.0000014300000000, -0.0000072600000000, -0.0000935800000000 ] - [ 0.0120486400000000, -0.0000180400000000, -0.0000203500000000 ] - [ 0.0008388700000000, 0.0001023700000000, -0.0008303400000000 ] - [ -0.0004569800000000, 0.0000039200000000, -0.0000817700000000 ] - [ 0.0008117700000000, -0.0000991000000000, 0.0006632800000000 ] - [ 0.0003251700000000, -0.0002554500000000, 0.0003448100000000 ] - [ 0.0003340700000000, 0.0002774300000000, -0.0005119900000000 ] - [ -0.0002089700000000, -0.0001351100000000, 0.0001202400000000 ] - [ -0.0002094700000000, 0.0001364700000000, -0.0002877300000000 ] - [ -0.0000675400000000, 0.0002252300000000, -0.0000651400000000 ] - [ 0.0000554600000000, 0.0000022300000000, -0.0000880300000000 ] - [ -0.0000666900000000, -0.0002237800000000, -0.0001089600000000 ] - [ 0.0000249800000000, 0.0000004700000000, -0.0000871100000000 ] - [ 0.0002658600000000, -0.0003509200000000, -0.0003973600000000 ] - [ -0.0002031400000000, 0.0001542800000000, 0.0001475000000000 ] - [ -0.0002031500000000, -0.0001451800000000, -0.0003173700000000 ] - [ 0.0002526600000000, 0.0003405800000000, 0.0002375400000000 ] - [ 0.0008200000000000, -0.0007512500000000, -0.0009218600000000 ] - [ -0.0000432800000000, 0.0000071200000000, 0.0002021200000000 ] - [ -0.0000461300000000, -0.0000074100000000, -0.0000118300000000 ] - [ 0.0007777400000000, 0.0007321000000000, 0.0010803000000000 ] - [ -0.0004855800000000, 0.0000209600000000, 0.0000747200000000 ] - [ -0.0000178300000000, -0.0000145900000000, 0.0002668500000000 ] - [ -0.0000899300000000, -0.0000024800000000, 0.0000959400000000 ] - [ -0.0000263300000000, 0.0000126600000000, -0.0000751900000000 ] - [ -0.0000049900000000, 0.0000694900000000, 0.0001011600000000 ] - [ -0.0000019800000000, -0.0000719600000000, 0.0000876400000000 ] - [ -0.0000086900000000, -0.0000506100000000, 0.0001355800000000 ] - [ -0.0000085700000000, 0.0000427400000000, 0.0000511500000000 ] - [ 0.0000322600000000, -0.0000072800000000, 0.0002053500000000 ] - [ -0.0000647300000000, -0.0000023200000000, 0.0000907000000000 ] - [ 0.0000298100000000, -0.0000012400000000, -0.0000262900000000 ] - [ 0.0000014300000000, -0.0000072600000000, 0.0000935800000000 ] - [ 0.0120486400000000, -0.0000180400000000, 0.0000203500000000 ] - [ 0.0008388700000000, 0.0001023700000000, 0.0008303400000000 ] - [ -0.0004569800000000, 0.0000039200000000, 0.0000817700000000 ] - [ 0.0008117700000000, -0.0000991000000000, -0.0006632800000000 ] - [ 0.0003251700000000, -0.0002554500000000, -0.0003448100000000 ] - [ 0.0003340700000000, 0.0002774300000000, 0.0005119900000000 ] - [ -0.0002089700000000, -0.0001351100000000, -0.0001202400000000 ] - [ -0.0002094700000000, 0.0001364700000000, 0.0002877300000000 ] - [ -0.0000675400000000, 0.0002252300000000, 0.0000651400000000 ] - [ 0.0000554600000000, 0.0000022300000000, 0.0000880300000000 ] - [ -0.0000666900000000, -0.0002237800000000, 0.0001089600000000 ] - [ 0.0000249800000000, 0.0000004700000000, 0.0000871100000000 ] - [ 0.0002658600000000, -0.0003509200000000, 0.0003973600000000 ] - [ -0.0002031400000000, 0.0001542800000000, -0.0001475000000000 ] - [ -0.0002031500000000, -0.0001451800000000, 0.0003173700000000 ] - [ 0.0002526600000000, 0.0003405800000000, -0.0002375400000000 ] - [ -0.0252233500000000, -0.0000170700000000, 0.0000000000000000 ] - [ -0.0019222000000000, -0.0001239800000000, 0.0000000000000000 ] - [ 0.0002988400000000, 0.0000125700000000, 0.0000000000000000 ] - [ -0.0019805900000000, 0.0000995900000000, 0.0000000000000000 ] - [ -0.0001731700000000, 0.0009214800000000, 0.0000000000000000 ] - [ -0.0001550000000000, -0.0008931800000000, 0.0000000000000000 ] - [ 0.0002562600000000, 0.0001405800000000, 0.0000000000000000 ] - [ 0.0002517900000000, -0.0001355400000000, 0.0000000000000000 ] - [ 0.0000213000000000, -0.0001563900000000, 0.0000000000000000 ] - [ 0.0000161400000000, -0.0000008600000000, 0.0000000000000000 ] - [ 0.0000190900000000, 0.0001426800000000, 0.0000000000000000 ] - [ 0.0000153600000000, 0.0000007300000000, 0.0000000000000000 ] - [ -0.0001623600000000, 0.0011326000000000, 0.0000000000000000 ] - [ 0.0002551400000000, -0.0001388500000000, 0.0000000000000000 ] - [ 0.0002540100000000, 0.0001369300000000, 0.0000000000000000 ] - [ -0.0001708100000000, -0.0011315100000000, 0.0000000000000000 ] - [ 0.0001902700000000, -0.0001828500000000, 0.0000000000000000 ] - [ -0.0000145100000000, -0.0000165000000000, 0.0000000000000000 ] - [ -0.0000144200000000, 0.0000166200000000, 0.0000000000000000 ] - [ 0.0001854100000000, 0.0001816000000000, 0.0000000000000000 ] - [ -0.0001272700000000, 0.0000028900000000, 0.0000000000000000 ] - [ -0.0000036100000000, -0.0000237900000000, 0.0000000000000000 ] - [ -0.0000085500000000, -0.0000008200000000, 0.0000000000000000 ] - [ -0.0000029100000000, 0.0000224400000000, 0.0000000000000000 ] - [ -0.0000133400000000, 0.0000169300000000, 0.0000000000000000 ] - [ -0.0000143200000000, -0.0000171300000000, 0.0000000000000000 ] - [ 0.0000107400000000, -0.0000118800000000, 0.0000000000000000 ] - [ 0.0000118700000000, 0.0000117400000000, 0.0000000000000000 ] - [ 0.0000147400000000, 0.0000011200000000, 0.0000000000000000 ] - [ -0.0000348400000000, 0.0000000200000000, 0.0000000000000000 ] - [ 0.0000145600000000, -0.0000005200000000, 0.0000000000000000 ] - [ 0.0000380800000000, 0.0000009300000000, 0.0000000000000000 ] - [ -0.0000064200000000, 0.0000608800000000, 0.0000238600000000 ] - [ -0.0000737800000000, -0.0002108000000000, -0.0007256200000000 ] - [ 0.0002545400000000, -0.0000017800000000, -0.0000048300000000 ] - [ -0.0000538700000000, 0.0002101600000000, 0.0007077900000000 ] - [ -0.0006100300000000, 0.0003612100000000, 0.0022754200000000 ] - [ -0.0007168300000000, -0.0003974100000000, -0.0022623000000000 ] - [ 0.0004395800000000, 0.0000871300000000, -0.0003936500000000 ] - [ 0.0004399200000000, -0.0000799100000000, 0.0003770000000000 ] - [ 0.0000973200000000, -0.0002067700000000, 0.0001736700000000 ] - [ -0.0004286500000000, -0.0000104200000000, -0.0000064500000000 ] - [ 0.0000912000000000, 0.0002060700000000, -0.0001796100000000 ] - [ 0.0002587700000000, 0.0000016000000000, -0.0000031700000000 ] - [ 0.0000154900000000, -0.0002352700000000, -0.0002111300000000 ] - [ -0.0000232700000000, -0.0001619600000000, -0.0001178300000000 ] - [ -0.0000210700000000, 0.0001577700000000, 0.0001098600000000 ] - [ 0.0000161800000000, 0.0002401300000000, 0.0002059200000000 ] - [ -0.0000064200000000, 0.0000608800000000, -0.0000238600000000 ] - [ -0.0000737800000000, -0.0002108000000000, 0.0007256200000000 ] - [ 0.0002545400000000, -0.0000017800000000, 0.0000048300000000 ] - [ -0.0000538700000000, 0.0002101600000000, -0.0007077900000000 ] - [ -0.0006100300000000, 0.0003612100000000, -0.0022754200000000 ] - [ -0.0007168300000000, -0.0003974100000000, 0.0022623000000000 ] - [ 0.0004395800000000, 0.0000871300000000, 0.0003936500000000 ] - [ 0.0004399200000000, -0.0000799100000000, -0.0003770000000000 ] - [ 0.0000973200000000, -0.0002067700000000, -0.0001736700000000 ] - [ -0.0004286500000000, -0.0000104200000000, 0.0000064500000000 ] - [ 0.0000912000000000, 0.0002060700000000, 0.0001796100000000 ] - [ 0.0002587700000000, 0.0000016000000000, 0.0000031700000000 ] - [ 0.0000154900000000, -0.0002352700000000, 0.0002111300000000 ] - [ -0.0000232700000000, -0.0001619600000000, 0.0001178300000000 ] - [ -0.0000210700000000, 0.0001577700000000, -0.0001098600000000 ] - [ 0.0000161800000000, 0.0002401300000000, -0.0002059200000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0023811900000000, 0.0013747800000000, -0.0035300700000000 ] - [ -0.0003846700000000, 0.0000624300000000, -0.0004257500000000 ] - [ 0.0003846700000000, 0.0000624300000000, -0.0004257500000000 ] - [ 0.0023811900000000, 0.0013747800000000, -0.0035300700000000 ] - [ 0.0000000000000000, -0.0027495600000000, -0.0035300700000000 ] - [ -0.0004562500000000, -0.0002634200000000, -0.0005122800000000 ] - [ 0.0000000000000000, -0.0000542300000000, -0.0002719300000000 ] - [ 0.0004562500000000, -0.0002634200000000, -0.0005122800000000 ] - [ 0.0001382700000000, -0.0003643500000000, -0.0004257500000000 ] - [ -0.0001382700000000, -0.0003643500000000, -0.0004257500000000 ] - [ -0.0000469600000000, 0.0000271100000000, -0.0002719300000000 ] - [ 0.0000469600000000, 0.0000271100000000, -0.0002719300000000 ] - [ -0.0002464000000000, 0.0003019200000000, -0.0004257500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003006400000000 ] - [ 0.0002464000000000, 0.0003019200000000, -0.0004257500000000 ] - [ 0.0000000000000000, 0.0005268400000000, -0.0005122800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1120756900000000 ] - [ 0.0018951900000000, -0.0001392100000000, 0.0008757400000000 ] - [ 0.0000000000000000, 0.0000199400000000, 0.0000539000000000 ] - [ -0.0018951900000000, -0.0001392100000000, 0.0008757400000000 ] - [ -0.0008270300000000, 0.0017108900000000, 0.0008757400000000 ] - [ 0.0008270300000000, 0.0017108900000000, 0.0008757400000000 ] - [ 0.0002553600000000, 0.0001474300000000, 0.0001106400000000 ] - [ -0.0002553600000000, 0.0001474300000000, 0.0001106400000000 ] - [ -0.0000172700000000, -0.0000099700000000, 0.0000539000000000 ] - [ 0.0000000000000000, 0.0002932700000000, 0.0000815300000000 ] - [ 0.0000172700000000, -0.0000099700000000, 0.0000539000000000 ] - [ 0.0000000000000000, -0.0002948700000000, 0.0001106400000000 ] - [ 0.0010681600000000, -0.0015716800000000, 0.0008757400000000 ] - [ 0.0002539700000000, -0.0001466300000000, 0.0000815300000000 ] - [ -0.0002539700000000, -0.0001466300000000, 0.0000815300000000 ] - [ -0.0010681600000000, -0.0015716800000000, 0.0008757400000000 ] - [ 0.0023923600000000, -0.0013812300000000, -0.0033866000000000 ] - [ 0.0003860900000000, -0.0000631100000000, -0.0002731500000000 ] - [ -0.0003860900000000, -0.0000631100000000, -0.0002731500000000 ] - [ -0.0023923600000000, -0.0013812300000000, -0.0033866000000000 ] - [ 0.0000000000000000, 0.0027624600000000, -0.0033866000000000 ] - [ 0.0004564300000000, 0.0002635200000000, -0.0003686500000000 ] - [ 0.0000000000000000, 0.0000544600000000, -0.0001222500000000 ] - [ -0.0004564300000000, 0.0002635200000000, -0.0003686500000000 ] - [ -0.0001383900000000, 0.0003659200000000, -0.0002731500000000 ] - [ 0.0001383900000000, 0.0003659200000000, -0.0002731500000000 ] - [ 0.0000471600000000, -0.0000272300000000, -0.0001222500000000 ] - [ -0.0000471600000000, -0.0000272300000000, -0.0001222500000000 ] - [ 0.0002477000000000, -0.0003028100000000, -0.0002731500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001398900000000 ] - [ -0.0002477000000000, -0.0003028100000000, -0.0002731500000000 ] - [ 0.0000000000000000, -0.0005270400000000, -0.0003686500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1197448400000000 ] - [ -0.0018913200000000, 0.0001406200000000, 0.0010276900000000 ] - [ 0.0000000000000000, -0.0000195700000000, 0.0002046000000000 ] - [ 0.0018913200000000, 0.0001406200000000, 0.0010276900000000 ] - [ 0.0008238800000000, -0.0017082400000000, 0.0010276900000000 ] - [ -0.0008238800000000, -0.0017082400000000, 0.0010276900000000 ] - [ -0.0002550500000000, -0.0001472500000000, 0.0002582700000000 ] - [ 0.0002550500000000, -0.0001472500000000, 0.0002582700000000 ] - [ 0.0000169500000000, 0.0000097800000000, 0.0002046000000000 ] - [ 0.0000000000000000, -0.0002918100000000, 0.0002264700000000 ] - [ -0.0000169500000000, 0.0000097800000000, 0.0002046000000000 ] - [ 0.0000000000000000, 0.0002945000000000, 0.0002582700000000 ] - [ -0.0010674400000000, 0.0015676200000000, 0.0010276900000000 ] - [ -0.0002527100000000, 0.0001459000000000, 0.0002264700000000 ] - [ 0.0002527100000000, 0.0001459000000000, 0.0002264700000000 ] - [ 0.0010674400000000, 0.0015676200000000, 0.0010276900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2719136000000000 ] - [ 0.0000156700000000, -0.0000010000000000, -0.0017161700000000 ] - [ 0.0000000000000000, 0.0000003100000000, -0.0003135900000000 ] - [ -0.0000156700000000, -0.0000010000000000, -0.0017161700000000 ] - [ -0.0000069700000000, 0.0000140700000000, -0.0017161700000000 ] - [ 0.0000069700000000, 0.0000140700000000, -0.0017161700000000 ] - [ -0.0000011000000000, -0.0000006400000000, -0.0003236800000000 ] - [ 0.0000011000000000, -0.0000006400000000, -0.0003236800000000 ] - [ -0.0000002700000000, -0.0000001600000000, -0.0003135900000000 ] - [ 0.0000000000000000, -0.0000012300000000, -0.0003255700000000 ] - [ 0.0000002700000000, -0.0000001600000000, -0.0003135900000000 ] - [ 0.0000000000000000, 0.0000012700000000, -0.0003236800000000 ] - [ 0.0000087000000000, -0.0000130700000000, -0.0017161700000000 ] - [ -0.0000010600000000, 0.0000006100000000, -0.0003255700000000 ] - [ 0.0000010600000000, 0.0000006100000000, -0.0003255700000000 ] - [ -0.0000087000000000, -0.0000130700000000, -0.0017161700000000 ] - [ 0.0000000200000000, -0.0000000100000000, 0.0017714200000000 ] - [ -0.0000006900000000, -0.0000000600000000, 0.0003939000000000 ] - [ 0.0000006900000000, -0.0000000600000000, 0.0003939000000000 ] - [ -0.0000000200000000, -0.0000000100000000, 0.0017714200000000 ] - [ 0.0000000000000000, 0.0000000200000000, 0.0017714200000000 ] - [ -0.0000008100000000, -0.0000004700000000, 0.0005419100000000 ] - [ 0.0000000000000000, -0.0000001000000000, 0.0002579700000000 ] - [ 0.0000008100000000, -0.0000004700000000, 0.0005419100000000 ] - [ 0.0000003900000000, -0.0000005600000000, 0.0003939000000000 ] - [ -0.0000003900000000, -0.0000005600000000, 0.0003939000000000 ] - [ -0.0000000900000000, 0.0000000500000000, 0.0002579700000000 ] - [ 0.0000000900000000, 0.0000000500000000, 0.0002579700000000 ] - [ -0.0000002900000000, 0.0000006200000000, 0.0003939000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002580300000000 ] - [ 0.0000002900000000, 0.0000006200000000, 0.0003939000000000 ] - [ 0.0000000000000000, 0.0000009300000000, 0.0005419100000000 ] - [ 0.0000000000000000, 0.0110862500000000, 0.0083470700000000 ] - [ -0.0017436200000000, 0.0010066800000000, 0.0003115400000000 ] - [ 0.0000000000000000, 0.0001585000000000, 0.0000129500000000 ] - [ 0.0017436200000000, 0.0010066800000000, 0.0003115400000000 ] - [ 0.0096009800000000, -0.0055431300000000, 0.0083470700000000 ] - [ -0.0096009800000000, -0.0055431300000000, 0.0083470700000000 ] - [ -0.0007794300000000, -0.0003853300000000, 0.0004369400000000 ] - [ 0.0007794300000000, -0.0003853300000000, 0.0004369400000000 ] - [ 0.0007234200000000, -0.0004823400000000, 0.0004369400000000 ] - [ 0.0000000000000000, -0.0020133500000000, 0.0003115400000000 ] - [ -0.0007234200000000, -0.0004823400000000, 0.0004369400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001321800000000 ] - [ -0.0000560100000000, 0.0008676700000000, 0.0004369400000000 ] - [ -0.0001372600000000, -0.0000792500000000, 0.0000129500000000 ] - [ 0.0001372600000000, -0.0000792500000000, 0.0000129500000000 ] - [ 0.0000560100000000, 0.0008676700000000, 0.0004369400000000 ] - [ 0.0000000000000000, -0.0111829400000000, 0.0084681500000000 ] - [ 0.0017500200000000, -0.0010103700000000, 0.0003177500000000 ] - [ 0.0000000000000000, -0.0001584200000000, 0.0000130400000000 ] - [ -0.0017500200000000, -0.0010103700000000, 0.0003177500000000 ] - [ -0.0096847100000000, 0.0055914700000000, 0.0084681500000000 ] - [ 0.0096847100000000, 0.0055914700000000, 0.0084681500000000 ] - [ 0.0007813800000000, 0.0003854800000000, 0.0004382300000000 ] - [ -0.0007813800000000, 0.0003854800000000, 0.0004382300000000 ] - [ -0.0007245300000000, 0.0004839500000000, 0.0004382300000000 ] - [ 0.0000000000000000, 0.0020207500000000, 0.0003177500000000 ] - [ 0.0007245300000000, 0.0004839500000000, 0.0004382300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001310900000000 ] - [ 0.0000568500000000, -0.0008694300000000, 0.0004382300000000 ] - [ 0.0001372000000000, 0.0000792100000000, 0.0000130400000000 ] - [ -0.0001372000000000, 0.0000792100000000, 0.0000130400000000 ] - [ -0.0000568500000000, -0.0008694300000000, 0.0004382300000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007951800000000, -0.0000321600000000, 0.0010093100000000 ] - [ -0.0006458800000000, -0.0000833000000000, 0.0001540500000000 ] - [ -0.0006476700000000, 0.0000760600000000, -0.0003398000000000 ] - [ 0.0007950800000000, 0.0000271700000000, -0.0012045400000000 ] - [ 0.0004808800000000, -0.0000010100000000, -0.0000915500000000 ] - [ -0.0000562300000000, -0.0005129200000000, 0.0002126500000000 ] - [ -0.0003738000000000, -0.0000021400000000, -0.0000928400000000 ] - [ -0.0000568900000000, 0.0005087800000000, -0.0003968700000000 ] - [ -0.0001542300000000, 0.0002971700000000, -0.0001099300000000 ] - [ -0.0001553600000000, -0.0003005700000000, -0.0000673900000000 ] - [ 0.0001592000000000, -0.0002982800000000, -0.0000327600000000 ] - [ 0.0001602200000000, 0.0002925900000000, -0.0001519400000000 ] - [ -0.0001087900000000, 0.0003389200000000, 0.0000777500000000 ] - [ -0.0006722900000000, -0.0000018100000000, -0.0000837100000000 ] - [ -0.0001131000000000, -0.0003443500000000, -0.0002599900000000 ] - [ 0.0008467000000000, -0.0000037900000000, -0.0000917800000000 ] - [ 0.0140503400000000, -0.0001345800000000, -0.0001710900000000 ] - [ -0.0037792100000000, -0.0045372100000000, -0.0034541600000000 ] - [ -0.0025294600000000, 0.0000023600000000, -0.0000847200000000 ] - [ -0.0037577800000000, 0.0045092500000000, 0.0032607300000000 ] - [ 0.0007197700000000, 0.0007505300000000, 0.0000831900000000 ] - [ 0.0007277900000000, -0.0007402200000000, -0.0002691800000000 ] - [ -0.0005605200000000, -0.0011390200000000, -0.0004310900000000 ] - [ -0.0005608200000000, 0.0011340900000000, 0.0002553000000000 ] - [ -0.0017419800000000, 0.0039483200000000, -0.0003478800000000 ] - [ -0.0011768800000000, 0.0000045500000000, -0.0000925800000000 ] - [ -0.0017431300000000, -0.0039398300000000, 0.0001562100000000 ] - [ 0.0040665800000000, 0.0000040400000000, -0.0000831300000000 ] - [ 0.0283277400000000, -0.0083167700000000, 0.0120151300000000 ] - [ -0.0045702900000000, 0.0005421200000000, -0.0005238500000000 ] - [ -0.0045701300000000, -0.0005305800000000, 0.0003287800000000 ] - [ 0.0268970500000000, 0.0073525700000000, -0.0110218400000000 ] - [ 0.0283277400000000, 0.0083167700000000, -0.0120151300000000 ] - [ -0.0045702900000000, -0.0005421200000000, 0.0005238500000000 ] - [ -0.0045701300000000, 0.0005305800000000, -0.0003287800000000 ] - [ 0.0268970500000000, -0.0073525700000000, 0.0110218400000000 ] - [ 0.0040665800000000, -0.0000040400000000, 0.0000831300000000 ] - [ -0.0017419800000000, -0.0039483200000000, 0.0003478800000000 ] - [ -0.0011768800000000, -0.0000045500000000, 0.0000925800000000 ] - [ -0.0017431300000000, 0.0039398300000000, -0.0001562100000000 ] - [ -0.0005605200000000, 0.0011390200000000, 0.0004310900000000 ] - [ -0.0005608200000000, -0.0011340900000000, -0.0002553000000000 ] - [ 0.0007197700000000, -0.0007505300000000, -0.0000831900000000 ] - [ 0.0007277900000000, 0.0007402200000000, 0.0002691800000000 ] - [ -0.0037792100000000, 0.0045372100000000, 0.0034541600000000 ] - [ -0.0025294600000000, -0.0000023600000000, 0.0000847200000000 ] - [ -0.0037577800000000, -0.0045092500000000, -0.0032607300000000 ] - [ 0.0140503400000000, 0.0001345800000000, 0.0001710900000000 ] - [ 0.0008467000000000, 0.0000037900000000, 0.0000917800000000 ] - [ -0.0001087900000000, -0.0003389200000000, -0.0000777500000000 ] - [ -0.0006722900000000, 0.0000018100000000, 0.0000837100000000 ] - [ -0.0001131000000000, 0.0003443500000000, 0.0002599900000000 ] - [ 0.0001592000000000, 0.0002982800000000, 0.0000327600000000 ] - [ 0.0001602200000000, -0.0002925900000000, 0.0001519400000000 ] - [ -0.0001542300000000, -0.0002971700000000, 0.0001099300000000 ] - [ -0.0001553600000000, 0.0003005700000000, 0.0000673900000000 ] - [ -0.0000562300000000, 0.0005129200000000, -0.0002126500000000 ] - [ -0.0003738000000000, 0.0000021400000000, 0.0000928400000000 ] - [ -0.0000568900000000, -0.0005087800000000, 0.0003968700000000 ] - [ 0.0004808800000000, 0.0000010100000000, 0.0000915500000000 ] - [ 0.0007951800000000, 0.0000321600000000, -0.0010093100000000 ] - [ -0.0006458800000000, 0.0000833000000000, -0.0001540500000000 ] - [ -0.0006476700000000, -0.0000760600000000, 0.0003398000000000 ] - [ 0.0007950800000000, -0.0000271700000000, 0.0012045400000000 ] - [ -0.0000062400000000, -0.0000008600000000, -0.0000187800000000 ] - [ -0.0000646600000000, 0.0002105400000000, 0.0017531700000000 ] - [ 0.0002553600000000, 0.0000003700000000, 0.0000022500000000 ] - [ -0.0000643800000000, -0.0002107900000000, -0.0017406000000000 ] - [ 0.0000146000000000, -0.0001614000000000, -0.0000568700000000 ] - [ 0.0000149900000000, 0.0001603600000000, 0.0000569100000000 ] - [ -0.0000212300000000, 0.0001584000000000, 0.0001374300000000 ] - [ -0.0000220200000000, -0.0001601300000000, -0.0001364000000000 ] - [ 0.0000922400000000, -0.0002833500000000, 0.0007254200000000 ] - [ 0.0002580900000000, -0.0000012400000000, -0.0000008000000000 ] - [ 0.0000942500000000, 0.0002835900000000, -0.0007227000000000 ] - [ -0.0004286000000000, 0.0000018900000000, -0.0000014500000000 ] - [ -0.0006588100000000, 0.0003731000000000, 0.0096419000000000 ] - [ 0.0004382000000000, -0.0000065600000000, 0.0007821400000000 ] - [ 0.0004401300000000, 0.0000074400000000, -0.0007787900000000 ] - [ -0.0006695700000000, -0.0003854000000000, -0.0096412700000000 ] - [ -0.0006588100000000, -0.0003731000000000, -0.0096419000000000 ] - [ 0.0004382000000000, 0.0000065600000000, -0.0007821400000000 ] - [ 0.0004401300000000, -0.0000074400000000, 0.0007787900000000 ] - [ -0.0006695700000000, 0.0003854000000000, 0.0096412700000000 ] - [ -0.0004286000000000, -0.0000018900000000, 0.0000014500000000 ] - [ 0.0000922400000000, 0.0002833500000000, -0.0007254200000000 ] - [ 0.0002580900000000, 0.0000012400000000, 0.0000008000000000 ] - [ 0.0000942500000000, -0.0002835900000000, 0.0007227000000000 ] - [ -0.0000212300000000, -0.0001584000000000, -0.0001374300000000 ] - [ -0.0000220200000000, 0.0001601300000000, 0.0001364000000000 ] - [ 0.0000146000000000, 0.0001614000000000, 0.0000568700000000 ] - [ 0.0000149900000000, -0.0001603600000000, -0.0000569100000000 ] - [ -0.0000646600000000, -0.0002105400000000, -0.0017531700000000 ] - [ 0.0002553600000000, -0.0000003700000000, -0.0000022500000000 ] - [ -0.0000643800000000, 0.0002107900000000, 0.0017406000000000 ] - [ -0.0000062400000000, 0.0000008600000000, 0.0000187800000000 ] - [ -0.1953107300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0389847600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0056893500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0384090400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0009628200000000, -0.0228635100000000, -0.0070240500000000 ] - [ -0.0010282000000000, 0.0229745900000000, 0.0070416000000000 ] - [ 0.0042262900000000, 0.0021660700000000, -0.0001393000000000 ] - [ 0.0042149800000000, -0.0021533300000000, 0.0001260000000000 ] - [ -0.0005054700000000, -0.0035730300000000, -0.0015921900000000 ] - [ 0.0004801800000000, -0.0000039800000000, 0.0000023900000000 ] - [ -0.0005054700000000, 0.0035730300000000, 0.0015921900000000 ] - [ 0.0004801800000000, 0.0000039800000000, -0.0000023900000000 ] - [ -0.0010282000000000, -0.0229745900000000, -0.0070416000000000 ] - [ 0.0042262900000000, -0.0021660700000000, 0.0001393000000000 ] - [ 0.0042149800000000, 0.0021533300000000, -0.0001260000000000 ] - [ -0.0009628200000000, 0.0228635100000000, 0.0070240500000000 ] - [ -0.0031304500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008053600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0014533500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0008092400000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0008111800000000, -0.0009362200000000, 0.0005414800000000 ] - [ -0.0008145200000000, 0.0009341000000000, -0.0005414800000000 ] - [ 0.0008102100000000, 0.0004064500000000, -0.0001051500000000 ] - [ 0.0008119100000000, -0.0004060600000000, 0.0001054100000000 ] - [ -0.0001078500000000, -0.0009017800000000, 0.0004207800000000 ] - [ 0.0001070700000000, -0.0000013300000000, -0.0000005600000000 ] - [ -0.0001078500000000, 0.0009017800000000, -0.0004207800000000 ] - [ 0.0001070700000000, 0.0000013300000000, 0.0000005600000000 ] - [ -0.0008145200000000, -0.0009341000000000, 0.0005414800000000 ] - [ 0.0008102100000000, -0.0004064500000000, 0.0001051500000000 ] - [ 0.0008119100000000, 0.0004060600000000, -0.0001054100000000 ] - [ -0.0008111800000000, 0.0009362200000000, -0.0005414800000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001959900000000, 0.0001131500000000, -0.0027156200000000 ] - [ 0.0002186100000000, -0.0000555300000000, -0.0013804500000000 ] - [ -0.0002186100000000, -0.0000555300000000, -0.0013804500000000 ] - [ -0.0001959900000000, 0.0001131500000000, -0.0027156200000000 ] - [ 0.0000000000000000, 0.0003128600000000, -0.0016184800000000 ] - [ 0.0000612200000000, 0.0002170800000000, -0.0013804500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010523300000000 ] - [ -0.0000612200000000, 0.0002170800000000, -0.0013804500000000 ] - [ 0.0000714000000000, 0.0000412200000000, -0.0010899300000000 ] - [ -0.0000714000000000, 0.0000412200000000, -0.0010899300000000 ] - [ -0.0001573900000000, -0.0001615600000000, -0.0013804500000000 ] - [ 0.0001573900000000, -0.0001615600000000, -0.0013804500000000 ] - [ 0.0002709500000000, -0.0001564300000000, -0.0016184800000000 ] - [ 0.0000000000000000, -0.0000824400000000, -0.0010899300000000 ] - [ -0.0002709500000000, -0.0001564300000000, -0.0016184800000000 ] - [ 0.0000000000000000, -0.0002263000000000, -0.0027156200000000 ] - [ 0.0000000000000000, 0.0106775500000000, 0.0227918700000000 ] - [ -0.0013473700000000, -0.0007779100000000, 0.0052251100000000 ] - [ 0.0000000000000000, -0.0001702500000000, 0.0014091800000000 ] - [ 0.0013473700000000, -0.0007779100000000, 0.0052251100000000 ] - [ 0.0012593100000000, -0.0020958000000000, 0.0016115000000000 ] - [ -0.0012593100000000, -0.0020958000000000, 0.0016115000000000 ] - [ -0.0001474400000000, 0.0000851300000000, 0.0014091800000000 ] - [ 0.0001474400000000, 0.0000851300000000, 0.0014091800000000 ] - [ -0.0011853600000000, 0.0021384900000000, 0.0016115000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009588600000000 ] - [ 0.0011853600000000, 0.0021384900000000, 0.0016115000000000 ] - [ 0.0000000000000000, 0.0015558100000000, 0.0052251100000000 ] - [ 0.0092470300000000, -0.0053387800000000, 0.0227918700000000 ] - [ -0.0024446700000000, -0.0000426900000000, 0.0016115000000000 ] - [ 0.0024446700000000, -0.0000426900000000, 0.0016115000000000 ] - [ -0.0092470300000000, -0.0053387800000000, 0.0227918700000000 ] - [ -0.0085436700000000, -0.0049326900000000, 0.0226208500000000 ] - [ 0.0024546700000000, -0.0000394900000000, 0.0017479800000000 ] - [ -0.0024546700000000, -0.0000394900000000, 0.0017479800000000 ] - [ 0.0085436700000000, -0.0049326900000000, 0.0226208500000000 ] - [ 0.0000000000000000, 0.0015622900000000, 0.0053567900000000 ] - [ 0.0011931300000000, 0.0021455500000000, 0.0017479800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011047300000000 ] - [ -0.0011931300000000, 0.0021455500000000, 0.0017479800000000 ] - [ 0.0001513400000000, 0.0000873800000000, 0.0015433900000000 ] - [ -0.0001513400000000, 0.0000873800000000, 0.0015433900000000 ] - [ -0.0012615400000000, -0.0021060600000000, 0.0017479800000000 ] - [ 0.0012615400000000, -0.0021060600000000, 0.0017479800000000 ] - [ 0.0013529800000000, -0.0007811400000000, 0.0053567900000000 ] - [ 0.0000000000000000, -0.0001747600000000, 0.0015433900000000 ] - [ -0.0013529800000000, -0.0007811400000000, 0.0053567900000000 ] - [ 0.0000000000000000, 0.0098653800000000, 0.0226208500000000 ] - [ 0.0000000000000000, -0.0002353600000000, -0.0025848100000000 ] - [ -0.0002705400000000, -0.0001562000000000, -0.0014770300000000 ] - [ 0.0000000000000000, -0.0000797900000000, -0.0009485200000000 ] - [ 0.0002705400000000, -0.0001562000000000, -0.0014770300000000 ] - [ 0.0001587300000000, -0.0001608200000000, -0.0012395300000000 ] - [ -0.0001587300000000, -0.0001608200000000, -0.0012395300000000 ] - [ -0.0000691000000000, 0.0000398900000000, -0.0009485200000000 ] - [ 0.0000691000000000, 0.0000398900000000, -0.0009485200000000 ] - [ -0.0000599200000000, 0.0002178700000000, -0.0012395300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008995600000000 ] - [ 0.0000599200000000, 0.0002178700000000, -0.0012395300000000 ] - [ 0.0000000000000000, 0.0003124000000000, -0.0014770300000000 ] - [ -0.0002038300000000, 0.0001176800000000, -0.0025848100000000 ] - [ -0.0002186400000000, -0.0000570500000000, -0.0012395300000000 ] - [ 0.0002186400000000, -0.0000570500000000, -0.0012395300000000 ] - [ 0.0002038300000000, 0.0001176800000000, -0.0025848100000000 ] - [ 0.0000000000000000, 0.0026438200000000, 0.0084137500000000 ] - [ 0.0007167100000000, 0.0004137900000000, 0.0003126900000000 ] - [ 0.0000000000000000, 0.0001304000000000, 0.0000133200000000 ] - [ -0.0007167100000000, 0.0004137900000000, 0.0003126900000000 ] - [ -0.0002085300000000, 0.0003256700000000, 0.0004340600000000 ] - [ 0.0002085300000000, 0.0003256700000000, 0.0004340600000000 ] - [ 0.0001129300000000, -0.0000652000000000, 0.0000133200000000 ] - [ -0.0001129300000000, -0.0000652000000000, 0.0000133200000000 ] - [ 0.0001777700000000, -0.0003434300000000, 0.0004340600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001265600000000 ] - [ -0.0001777700000000, -0.0003434300000000, 0.0004340600000000 ] - [ 0.0000000000000000, -0.0008275900000000, 0.0003126900000000 ] - [ 0.0022896200000000, -0.0013219100000000, 0.0084137500000000 ] - [ 0.0003863000000000, 0.0000177600000000, 0.0004340600000000 ] - [ -0.0003863000000000, 0.0000177600000000, 0.0004340600000000 ] - [ -0.0022896200000000, -0.0013219100000000, 0.0084137500000000 ] - [ -0.0022487600000000, -0.0012983200000000, 0.0083974500000000 ] - [ -0.0003841400000000, 0.0000191900000000, 0.0004373700000000 ] - [ 0.0003841400000000, 0.0000191900000000, 0.0004373700000000 ] - [ 0.0022487600000000, -0.0012983200000000, 0.0083974500000000 ] - [ 0.0000000000000000, -0.0008270600000000, 0.0003155500000000 ] - [ -0.0001754500000000, -0.0003422700000000, 0.0004373700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001283000000000 ] - [ 0.0001754500000000, -0.0003422700000000, 0.0004373700000000 ] - [ -0.0001132000000000, -0.0000653600000000, 0.0000150700000000 ] - [ 0.0001132000000000, -0.0000653600000000, 0.0000150700000000 ] - [ 0.0002086900000000, 0.0003230800000000, 0.0004373700000000 ] - [ -0.0002086900000000, 0.0003230800000000, 0.0004373700000000 ] - [ -0.0007162600000000, 0.0004135300000000, 0.0003155500000000 ] - [ 0.0000000000000000, 0.0001307100000000, 0.0000150700000000 ] - [ 0.0007162600000000, 0.0004135300000000, 0.0003155500000000 ] - [ 0.0000000000000000, 0.0025966400000000, 0.0083974500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1092951200000000 ] - [ -0.0000508600000000, 0.0081217400000000, -0.0174676100000000 ] - [ 0.0000000000000000, 0.0018382200000000, -0.0033711000000000 ] - [ 0.0000508600000000, 0.0081217400000000, -0.0174676100000000 ] - [ -0.0070082100000000, -0.0041049100000000, -0.0174676100000000 ] - [ 0.0070082100000000, -0.0041049100000000, -0.0174676100000000 ] - [ -0.0001347200000000, -0.0000777800000000, -0.0028630200000000 ] - [ 0.0001347200000000, -0.0000777800000000, -0.0028630200000000 ] - [ -0.0015919400000000, -0.0009191100000000, -0.0033711000000000 ] - [ 0.0000000000000000, 0.0001545800000000, -0.0028589000000000 ] - [ 0.0015919400000000, -0.0009191100000000, -0.0033711000000000 ] - [ 0.0000000000000000, 0.0001555600000000, -0.0028630200000000 ] - [ -0.0070590600000000, -0.0040168300000000, -0.0174676100000000 ] - [ 0.0001338700000000, -0.0000772900000000, -0.0028589000000000 ] - [ -0.0001338700000000, -0.0000772900000000, -0.0028589000000000 ] - [ 0.0070590600000000, -0.0040168300000000, -0.0174676100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042511400000000 ] - [ 0.0000046500000000, 0.0006269500000000, 0.0025993600000000 ] - [ 0.0000000000000000, 0.0004865500000000, 0.0015786500000000 ] - [ -0.0000046500000000, 0.0006269500000000, 0.0025993600000000 ] - [ -0.0005452800000000, -0.0003094500000000, 0.0025993600000000 ] - [ 0.0005452800000000, -0.0003094500000000, 0.0025993600000000 ] - [ 0.0001076300000000, 0.0000621400000000, 0.0014709500000000 ] - [ -0.0001076300000000, 0.0000621400000000, 0.0014709500000000 ] - [ -0.0004213700000000, -0.0002432800000000, 0.0015786500000000 ] - [ 0.0000000000000000, -0.0001188300000000, 0.0014698900000000 ] - [ 0.0004213700000000, -0.0002432800000000, 0.0015786500000000 ] - [ 0.0000000000000000, -0.0001242800000000, 0.0014709500000000 ] - [ -0.0005406300000000, -0.0003175000000000, 0.0025993600000000 ] - [ -0.0001029100000000, 0.0000594200000000, 0.0014698900000000 ] - [ 0.0001029100000000, 0.0000594200000000, 0.0014698900000000 ] - [ 0.0005406300000000, -0.0003175000000000, 0.0025993600000000 ]