# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/06cdd9ae-111c-450d-a29f-9952c5722afb/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 ScHO2 / Pnma (62) / materials id 625678](https://mdr.nims.go.jp/datasets/454356f6-2202-4736-ae9f-c5701dbb7231) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 10.218289770000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.201462289999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.726553650000000 ] # c points: - symbol: Sc # 1 coordinates: [ 0.357224040000000, 0.250000000000000, 0.421920850000000 ] mass: 44.955912 - symbol: Sc # 2 coordinates: [ 0.857224040000000, 0.250000000000000, 0.078079150000000 ] mass: 44.955912 - symbol: Sc # 3 coordinates: [ 0.642775960000000, 0.750000000000000, 0.578079150000000 ] mass: 44.955912 - symbol: Sc # 4 coordinates: [ 0.142775960000000, 0.750000000000000, 0.921920850000000 ] mass: 44.955912 - symbol: H # 5 coordinates: [ 0.598052680000000, 0.250000000000000, 0.110932510000000 ] mass: 1.007940 - symbol: H # 6 coordinates: [ 0.098052680000000, 0.250000000000000, 0.389067490000000 ] mass: 1.007940 - symbol: H # 7 coordinates: [ 0.401947320000000, 0.750000000000000, 0.889067490000000 ] mass: 1.007940 - symbol: H # 8 coordinates: [ 0.901947320000000, 0.750000000000000, 0.610932510000000 ] mass: 1.007940 - symbol: O # 9 coordinates: [ 0.691465200000000, 0.250000000000000, 0.829704990000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.191465200000000, 0.250000000000000, 0.670295010000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.308534800000000, 0.750000000000000, 0.170295010000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.808534800000000, 0.750000000000000, 0.329704990000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.561964340000000, 0.250000000000000, 0.311417770000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.061964340000000, 0.250000000000000, 0.188582230000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.438035660000000, 0.750000000000000, 0.688582230000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.938035660000000, 0.750000000000000, 0.811417770000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.097863734784260, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.312357263467876, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.211570644078059 ] # c*unit_cell: lattice: - [ 10.218289770000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.201462290000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.726553650000000 ] # c points: - symbol: Sc # 1 coordinates: [ 0.357224040000000, 0.250000000000000, 0.421920850000000 ] mass: 44.955912 reduced_to: 1 - symbol: Sc # 2 coordinates: [ 0.857224040000000, 0.250000000000000, 0.078079150000000 ] mass: 44.955912 reduced_to: 2 - symbol: Sc # 3 coordinates: [ 0.642775960000000, 0.750000000000000, 0.578079150000000 ] mass: 44.955912 reduced_to: 3 - symbol: Sc # 4 coordinates: [ 0.142775960000000, 0.750000000000000, 0.921920850000000 ] mass: 44.955912 reduced_to: 4 - symbol: H # 5 coordinates: [ 0.598052680000000, 0.250000000000000, 0.110932510000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 6 coordinates: [ 0.098052680000000, 0.250000000000000, 0.389067490000000 ] mass: 1.007940 reduced_to: 6 - symbol: H # 7 coordinates: [ 0.401947320000000, 0.750000000000000, 0.889067490000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 8 coordinates: [ 0.901947320000000, 0.750000000000000, 0.610932510000000 ] mass: 1.007940 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.691465200000000, 0.250000000000000, 0.829704990000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.191465200000000, 0.250000000000000, 0.670295010000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.308534800000000, 0.750000000000000, 0.170295010000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.808534800000000, 0.750000000000000, 0.329704990000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.561964340000000, 0.250000000000000, 0.311417770000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.061964340000000, 0.250000000000000, 0.188582230000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.438035660000000, 0.750000000000000, 0.688582230000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.938035660000000, 0.750000000000000, 0.811417770000000 ] mass: 15.999400 reduced_to: 16supercell: lattice: - [ 10.218289770000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.604386869999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.179660949999999 ] # c points: - symbol: Sc # 1 coordinates: [ 0.357224040000000, 0.083333333333333, 0.140640283333333 ] mass: 44.955912 reduced_to: 1 - symbol: Sc # 2 coordinates: [ 0.357224040000000, 0.416666666666667, 0.140640283333333 ] mass: 44.955912 reduced_to: 1 - symbol: Sc # 3 coordinates: [ 0.357224040000000, 0.750000000000000, 0.140640283333333 ] mass: 44.955912 reduced_to: 1 - symbol: Sc # 4 coordinates: [ 0.357224040000000, 0.083333333333333, 0.473973616666667 ] mass: 44.955912 reduced_to: 1 - symbol: Sc # 5 coordinates: [ 0.357224040000000, 0.416666666666667, 0.473973616666667 ] mass: 44.955912 reduced_to: 1 - symbol: Sc # 6 coordinates: [ 0.357224040000000, 0.750000000000000, 0.473973616666667 ] mass: 44.955912 reduced_to: 1 - symbol: Sc # 7 coordinates: [ 0.357224040000000, 0.083333333333333, 0.807306950000000 ] mass: 44.955912 reduced_to: 1 - symbol: Sc # 8 coordinates: [ 0.357224040000000, 0.416666666666667, 0.807306950000000 ] mass: 44.955912 reduced_to: 1 - symbol: Sc # 9 coordinates: [ 0.357224040000000, 0.750000000000000, 0.807306950000000 ] mass: 44.955912 reduced_to: 1 - symbol: Sc # 10 coordinates: [ 0.857224040000000, 0.083333333333333, 0.026026383333333 ] mass: 44.955912 reduced_to: 10 - symbol: Sc # 11 coordinates: [ 0.857224040000000, 0.416666666666667, 0.026026383333333 ] mass: 44.955912 reduced_to: 10 - symbol: Sc # 12 coordinates: [ 0.857224040000000, 0.750000000000000, 0.026026383333333 ] mass: 44.955912 reduced_to: 10 - symbol: Sc # 13 coordinates: [ 0.857224040000000, 0.083333333333333, 0.359359716666667 ] mass: 44.955912 reduced_to: 10 - symbol: Sc # 14 coordinates: [ 0.857224040000000, 0.416666666666667, 0.359359716666667 ] mass: 44.955912 reduced_to: 10 - symbol: Sc # 15 coordinates: [ 0.857224040000000, 0.750000000000000, 0.359359716666667 ] mass: 44.955912 reduced_to: 10 - symbol: Sc # 16 coordinates: [ 0.857224040000000, 0.083333333333333, 0.692693050000000 ] mass: 44.955912 reduced_to: 10 - symbol: Sc # 17 coordinates: [ 0.857224040000000, 0.416666666666667, 0.692693050000000 ] mass: 44.955912 reduced_to: 10 - symbol: Sc # 18 coordinates: [ 0.857224040000000, 0.750000000000000, 0.692693050000000 ] mass: 44.955912 reduced_to: 10 - symbol: Sc # 19 coordinates: [ 0.642775960000000, 0.250000000000000, 0.192693050000000 ] mass: 44.955912 reduced_to: 19 - symbol: Sc # 20 coordinates: [ 0.642775960000000, 0.583333333333333, 0.192693050000000 ] mass: 44.955912 reduced_to: 19 - symbol: Sc # 21 coordinates: [ 0.642775960000000, 0.916666666666667, 0.192693050000000 ] mass: 44.955912 reduced_to: 19 - symbol: Sc # 22 coordinates: [ 0.642775960000000, 0.250000000000000, 0.526026383333333 ] mass: 44.955912 reduced_to: 19 - symbol: Sc # 23 coordinates: [ 0.642775960000000, 0.583333333333333, 0.526026383333333 ] mass: 44.955912 reduced_to: 19 - symbol: Sc # 24 coordinates: [ 0.642775960000000, 0.916666666666667, 0.526026383333333 ] mass: 44.955912 reduced_to: 19 - symbol: Sc # 25 coordinates: [ 0.642775960000000, 0.250000000000000, 0.859359716666667 ] mass: 44.955912 reduced_to: 19 - symbol: Sc # 26 coordinates: [ 0.642775960000000, 0.583333333333333, 0.859359716666667 ] mass: 44.955912 reduced_to: 19 - symbol: Sc # 27 coordinates: [ 0.642775960000000, 0.916666666666667, 0.859359716666667 ] mass: 44.955912 reduced_to: 19 - symbol: Sc # 28 coordinates: [ 0.142775960000000, 0.250000000000000, 0.307306950000000 ] mass: 44.955912 reduced_to: 28 - symbol: Sc # 29 coordinates: [ 0.142775960000000, 0.583333333333333, 0.307306950000000 ] mass: 44.955912 reduced_to: 28 - symbol: Sc # 30 coordinates: [ 0.142775960000000, 0.916666666666667, 0.307306950000000 ] mass: 44.955912 reduced_to: 28 - symbol: Sc # 31 coordinates: [ 0.142775960000000, 0.250000000000000, 0.640640283333333 ] mass: 44.955912 reduced_to: 28 - symbol: Sc # 32 coordinates: [ 0.142775960000000, 0.583333333333333, 0.640640283333333 ] mass: 44.955912 reduced_to: 28 - symbol: Sc # 33 coordinates: [ 0.142775960000000, 0.916666666666667, 0.640640283333333 ] mass: 44.955912 reduced_to: 28 - symbol: Sc # 34 coordinates: [ 0.142775960000000, 0.250000000000000, 0.973973616666667 ] mass: 44.955912 reduced_to: 28 - symbol: Sc # 35 coordinates: [ 0.142775960000000, 0.583333333333333, 0.973973616666667 ] mass: 44.955912 reduced_to: 28 - symbol: Sc # 36 coordinates: [ 0.142775960000000, 0.916666666666667, 0.973973616666667 ] mass: 44.955912 reduced_to: 28 - symbol: H # 37 coordinates: [ 0.598052680000000, 0.083333333333333, 0.036977503333333 ] mass: 1.007940 reduced_to: 37 - symbol: H # 38 coordinates: [ 0.598052680000000, 0.416666666666667, 0.036977503333333 ] mass: 1.007940 reduced_to: 37 - symbol: H # 39 coordinates: [ 0.598052680000000, 0.750000000000000, 0.036977503333333 ] mass: 1.007940 reduced_to: 37 - symbol: H # 40 coordinates: [ 0.598052680000000, 0.083333333333333, 0.370310836666667 ] mass: 1.007940 reduced_to: 37 - symbol: H # 41 coordinates: [ 0.598052680000000, 0.416666666666667, 0.370310836666667 ] mass: 1.007940 reduced_to: 37 - symbol: H # 42 coordinates: [ 0.598052680000000, 0.750000000000000, 0.370310836666667 ] mass: 1.007940 reduced_to: 37 - symbol: H # 43 coordinates: [ 0.598052680000000, 0.083333333333333, 0.703644170000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 44 coordinates: [ 0.598052680000000, 0.416666666666667, 0.703644170000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 45 coordinates: [ 0.598052680000000, 0.750000000000000, 0.703644170000000 ] mass: 1.007940 reduced_to: 37 - symbol: H # 46 coordinates: [ 0.098052680000000, 0.083333333333333, 0.129689163333333 ] mass: 1.007940 reduced_to: 46 - symbol: H # 47 coordinates: [ 0.098052680000000, 0.416666666666667, 0.129689163333333 ] mass: 1.007940 reduced_to: 46 - symbol: H # 48 coordinates: [ 0.098052680000000, 0.750000000000000, 0.129689163333333 ] mass: 1.007940 reduced_to: 46 - symbol: H # 49 coordinates: [ 0.098052680000000, 0.083333333333333, 0.463022496666667 ] mass: 1.007940 reduced_to: 46 - symbol: H # 50 coordinates: [ 0.098052680000000, 0.416666666666667, 0.463022496666667 ] mass: 1.007940 reduced_to: 46 - symbol: H # 51 coordinates: [ 0.098052680000000, 0.750000000000000, 0.463022496666667 ] mass: 1.007940 reduced_to: 46 - symbol: H # 52 coordinates: [ 0.098052680000000, 0.083333333333333, 0.796355830000000 ] mass: 1.007940 reduced_to: 46 - symbol: H # 53 coordinates: [ 0.098052680000000, 0.416666666666667, 0.796355830000000 ] mass: 1.007940 reduced_to: 46 - symbol: H # 54 coordinates: [ 0.098052680000000, 0.750000000000000, 0.796355830000000 ] mass: 1.007940 reduced_to: 46 - symbol: H # 55 coordinates: [ 0.401947320000000, 0.250000000000000, 0.296355830000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 56 coordinates: [ 0.401947320000000, 0.583333333333333, 0.296355830000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 57 coordinates: [ 0.401947320000000, 0.916666666666667, 0.296355830000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 58 coordinates: [ 0.401947320000000, 0.250000000000000, 0.629689163333333 ] mass: 1.007940 reduced_to: 55 - symbol: H # 59 coordinates: [ 0.401947320000000, 0.583333333333333, 0.629689163333333 ] mass: 1.007940 reduced_to: 55 - symbol: H # 60 coordinates: [ 0.401947320000000, 0.916666666666667, 0.629689163333333 ] mass: 1.007940 reduced_to: 55 - symbol: H # 61 coordinates: [ 0.401947320000000, 0.250000000000000, 0.963022496666667 ] mass: 1.007940 reduced_to: 55 - symbol: H # 62 coordinates: [ 0.401947320000000, 0.583333333333333, 0.963022496666667 ] mass: 1.007940 reduced_to: 55 - symbol: H # 63 coordinates: [ 0.401947320000000, 0.916666666666667, 0.963022496666667 ] mass: 1.007940 reduced_to: 55 - symbol: H # 64 coordinates: [ 0.901947320000000, 0.250000000000000, 0.203644170000000 ] mass: 1.007940 reduced_to: 64 - symbol: H # 65 coordinates: [ 0.901947320000000, 0.583333333333333, 0.203644170000000 ] mass: 1.007940 reduced_to: 64 - symbol: H # 66 coordinates: [ 0.901947320000000, 0.916666666666667, 0.203644170000000 ] mass: 1.007940 reduced_to: 64 - symbol: H # 67 coordinates: [ 0.901947320000000, 0.250000000000000, 0.536977503333333 ] mass: 1.007940 reduced_to: 64 - symbol: H # 68 coordinates: [ 0.901947320000000, 0.583333333333333, 0.536977503333333 ] mass: 1.007940 reduced_to: 64 - symbol: H # 69 coordinates: [ 0.901947320000000, 0.916666666666667, 0.536977503333333 ] mass: 1.007940 reduced_to: 64 - symbol: H # 70 coordinates: [ 0.901947320000000, 0.250000000000000, 0.870310836666667 ] mass: 1.007940 reduced_to: 64 - symbol: H # 71 coordinates: [ 0.901947320000000, 0.583333333333333, 0.870310836666667 ] mass: 1.007940 reduced_to: 64 - symbol: H # 72 coordinates: [ 0.901947320000000, 0.916666666666667, 0.870310836666667 ] mass: 1.007940 reduced_to: 64 - symbol: O # 73 coordinates: [ 0.691465200000000, 0.083333333333333, 0.276568330000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.691465200000000, 0.416666666666667, 0.276568330000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.691465200000000, 0.750000000000000, 0.276568330000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.691465200000000, 0.083333333333333, 0.609901663333333 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.691465200000000, 0.416666666666667, 0.609901663333333 ] mass: 15.999400 reduced_to: 73 - symbol: O # 78 coordinates: [ 0.691465200000000, 0.750000000000000, 0.609901663333333 ] mass: 15.999400 reduced_to: 73 - symbol: O # 79 coordinates: [ 0.691465200000000, 0.083333333333333, 0.943234996666667 ] mass: 15.999400 reduced_to: 73 - symbol: O # 80 coordinates: [ 0.691465200000000, 0.416666666666667, 0.943234996666667 ] mass: 15.999400 reduced_to: 73 - symbol: O # 81 coordinates: [ 0.691465200000000, 0.750000000000000, 0.943234996666667 ] mass: 15.999400 reduced_to: 73 - symbol: O # 82 coordinates: [ 0.191465200000000, 0.083333333333333, 0.223431670000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.191465200000000, 0.416666666666667, 0.223431670000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 84 coordinates: [ 0.191465200000000, 0.750000000000000, 0.223431670000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 85 coordinates: [ 0.191465200000000, 0.083333333333333, 0.556765003333333 ] mass: 15.999400 reduced_to: 82 - symbol: O # 86 coordinates: [ 0.191465200000000, 0.416666666666667, 0.556765003333333 ] mass: 15.999400 reduced_to: 82 - symbol: O # 87 coordinates: [ 0.191465200000000, 0.750000000000000, 0.556765003333333 ] mass: 15.999400 reduced_to: 82 - symbol: O # 88 coordinates: [ 0.191465200000000, 0.083333333333333, 0.890098336666667 ] mass: 15.999400 reduced_to: 82 - symbol: O # 89 coordinates: [ 0.191465200000000, 0.416666666666667, 0.890098336666667 ] mass: 15.999400 reduced_to: 82 - symbol: O # 90 coordinates: [ 0.191465200000000, 0.750000000000000, 0.890098336666667 ] mass: 15.999400 reduced_to: 82 - symbol: O # 91 coordinates: [ 0.308534800000000, 0.250000000000000, 0.056765003333333 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.308534800000000, 0.583333333333333, 0.056765003333333 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.308534800000000, 0.916666666666667, 0.056765003333333 ] mass: 15.999400 reduced_to: 91 - symbol: O # 94 coordinates: [ 0.308534800000000, 0.250000000000000, 0.390098336666667 ] mass: 15.999400 reduced_to: 91 - symbol: O # 95 coordinates: [ 0.308534800000000, 0.583333333333333, 0.390098336666667 ] mass: 15.999400 reduced_to: 91 - symbol: O # 96 coordinates: [ 0.308534800000000, 0.916666666666667, 0.390098336666667 ] mass: 15.999400 reduced_to: 91 - symbol: O # 97 coordinates: [ 0.308534800000000, 0.250000000000000, 0.723431670000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 98 coordinates: [ 0.308534800000000, 0.583333333333333, 0.723431670000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 99 coordinates: [ 0.308534800000000, 0.916666666666667, 0.723431670000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 100 coordinates: [ 0.808534800000000, 0.250000000000000, 0.109901663333333 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.808534800000000, 0.583333333333333, 0.109901663333333 ] mass: 15.999400 reduced_to: 100 - symbol: O # 102 coordinates: [ 0.808534800000000, 0.916666666666667, 0.109901663333333 ] mass: 15.999400 reduced_to: 100 - symbol: O # 103 coordinates: [ 0.808534800000000, 0.250000000000000, 0.443234996666667 ] mass: 15.999400 reduced_to: 100 - symbol: O # 104 coordinates: [ 0.808534800000000, 0.583333333333333, 0.443234996666667 ] mass: 15.999400 reduced_to: 100 - symbol: O # 105 coordinates: [ 0.808534800000000, 0.916666666666667, 0.443234996666667 ] mass: 15.999400 reduced_to: 100 - symbol: O # 106 coordinates: [ 0.808534800000000, 0.250000000000000, 0.776568330000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 107 coordinates: [ 0.808534800000000, 0.583333333333333, 0.776568330000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 108 coordinates: [ 0.808534800000000, 0.916666666666667, 0.776568330000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 109 coordinates: [ 0.561964340000000, 0.083333333333333, 0.103805923333333 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.561964340000000, 0.416666666666667, 0.103805923333333 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.561964340000000, 0.750000000000000, 0.103805923333333 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.561964340000000, 0.083333333333333, 0.437139256666667 ] mass: 15.999400 reduced_to: 109 - symbol: O # 113 coordinates: [ 0.561964340000000, 0.416666666666667, 0.437139256666667 ] mass: 15.999400 reduced_to: 109 - symbol: O # 114 coordinates: [ 0.561964340000000, 0.750000000000000, 0.437139256666667 ] mass: 15.999400 reduced_to: 109 - symbol: O # 115 coordinates: [ 0.561964340000000, 0.083333333333333, 0.770472590000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 116 coordinates: [ 0.561964340000000, 0.416666666666667, 0.770472590000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 117 coordinates: [ 0.561964340000000, 0.750000000000000, 0.770472590000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 118 coordinates: [ 0.061964340000000, 0.083333333333333, 0.062860743333333 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.061964340000000, 0.416666666666667, 0.062860743333333 ] mass: 15.999400 reduced_to: 118 - symbol: O # 120 coordinates: [ 0.061964340000000, 0.750000000000000, 0.062860743333333 ] mass: 15.999400 reduced_to: 118 - symbol: O # 121 coordinates: [ 0.061964340000000, 0.083333333333333, 0.396194076666667 ] mass: 15.999400 reduced_to: 118 - symbol: O # 122 coordinates: [ 0.061964340000000, 0.416666666666667, 0.396194076666667 ] mass: 15.999400 reduced_to: 118 - symbol: O # 123 coordinates: [ 0.061964340000000, 0.750000000000000, 0.396194076666667 ] mass: 15.999400 reduced_to: 118 - symbol: O # 124 coordinates: [ 0.061964340000000, 0.083333333333333, 0.729527410000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 125 coordinates: [ 0.061964340000000, 0.416666666666667, 0.729527410000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 126 coordinates: [ 0.061964340000000, 0.750000000000000, 0.729527410000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 127 coordinates: [ 0.438035660000000, 0.250000000000000, 0.229527410000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.438035660000000, 0.583333333333333, 0.229527410000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 129 coordinates: [ 0.438035660000000, 0.916666666666667, 0.229527410000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 130 coordinates: [ 0.438035660000000, 0.250000000000000, 0.562860743333333 ] mass: 15.999400 reduced_to: 127 - symbol: O # 131 coordinates: [ 0.438035660000000, 0.583333333333333, 0.562860743333333 ] mass: 15.999400 reduced_to: 127 - symbol: O # 132 coordinates: [ 0.438035660000000, 0.916666666666667, 0.562860743333333 ] mass: 15.999400 reduced_to: 127 - symbol: O # 133 coordinates: [ 0.438035660000000, 0.250000000000000, 0.896194076666667 ] mass: 15.999400 reduced_to: 127 - symbol: O # 134 coordinates: [ 0.438035660000000, 0.583333333333333, 0.896194076666667 ] mass: 15.999400 reduced_to: 127 - symbol: O # 135 coordinates: [ 0.438035660000000, 0.916666666666667, 0.896194076666667 ] mass: 15.999400 reduced_to: 127 - symbol: O # 136 coordinates: [ 0.938035660000000, 0.250000000000000, 0.270472590000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 137 coordinates: [ 0.938035660000000, 0.583333333333333, 0.270472590000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 138 coordinates: [ 0.938035660000000, 0.916666666666667, 0.270472590000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 139 coordinates: [ 0.938035660000000, 0.250000000000000, 0.603805923333333 ] mass: 15.999400 reduced_to: 136 - symbol: O # 140 coordinates: [ 0.938035660000000, 0.583333333333333, 0.603805923333333 ] mass: 15.999400 reduced_to: 136 - symbol: O # 141 coordinates: [ 0.938035660000000, 0.916666666666667, 0.603805923333333 ] mass: 15.999400 reduced_to: 136 - symbol: O # 142 coordinates: [ 0.938035660000000, 0.250000000000000, 0.937139256666667 ] mass: 15.999400 reduced_to: 136 - symbol: O # 143 coordinates: [ 0.938035660000000, 0.583333333333333, 0.937139256666667 ] mass: 15.999400 reduced_to: 136 - symbol: O # 144 coordinates: [ 0.938035660000000, 0.916666666666667, 0.937139256666667 ] mass: 15.999400 reduced_to: 136born_effective_charge:- # 1 (Sc) - [ 3.763621170000000, 0.000000000000000, 0.015729110000000 ] - [ 0.000000000000000, 4.205141670000000, 0.000000000000000 ] - [ -0.132486660000000, 0.000000000000000, 3.327033050000000 ]- # 2 (Sc) - [ 3.763621170000000, 0.000000000000000, -0.015729110000000 ] - [ 0.000000000000000, 4.205141670000000, 0.000000000000000 ] - [ 0.132486660000000, 0.000000000000000, 3.327033050000001 ]- # 3 (Sc) - [ 3.763621170000000, 0.000000000000000, 0.015729110000000 ] - [ 0.000000000000000, 4.205141670000000, 0.000000000000000 ] - [ -0.132486660000000, 0.000000000000000, 3.327033050000001 ]- # 4 (Sc) - [ 3.763621170000000, 0.000000000000000, -0.015729110000000 ] - [ 0.000000000000000, 4.205141670000000, 0.000000000000000 ] - [ 0.132486660000000, 0.000000000000000, 3.327033050000001 ]- # 5 (H) - [ 0.616076870000000, 0.000000000000000, -0.625046990000000 ] - [ 0.000000000000000, 0.269765950000000, 0.000000000000000 ] - [ -0.632396290000000, 0.000000000000000, 1.418847790000000 ]- # 6 (H) - [ 0.616076870000000, 0.000000000000000, 0.625046990000000 ] - [ 0.000000000000000, 0.269765950000000, 0.000000000000000 ] - [ 0.632396290000000, 0.000000000000000, 1.418847790000000 ]- # 7 (H) - [ 0.616076870000000, 0.000000000000000, -0.625046990000000 ] - [ 0.000000000000000, 0.269765950000000, 0.000000000000000 ] - [ -0.632396290000000, 0.000000000000000, 1.418847790000000 ]- # 8 (H) - [ 0.616076870000000, 0.000000000000000, 0.625046990000000 ] - [ 0.000000000000000, 0.269765950000000, 0.000000000000000 ] - [ 0.632396290000000, 0.000000000000000, 1.418847790000000 ]- # 9 (O) - [ -2.139111610000000, 0.000000000000000, -0.575275280000000 ] - [ 0.000000000000000, -2.649375810000000, 0.000000000000000 ] - [ -0.652872900000000, 0.000000000000000, -2.690065910000000 ]- # 10 (O) - [ -2.139111610000000, 0.000000000000000, 0.575275280000000 ] - [ 0.000000000000000, -2.649375810000000, 0.000000000000000 ] - [ 0.652872900000000, 0.000000000000000, -2.690065910000000 ]- # 11 (O) - [ -2.139111610000000, 0.000000000000000, -0.575275280000000 ] - [ 0.000000000000000, -2.649375810000000, 0.000000000000000 ] - [ -0.652872900000000, 0.000000000000000, -2.690065910000000 ]- # 12 (O) - [ -2.139111610000000, 0.000000000000000, 0.575275280000000 ] - [ 0.000000000000000, -2.649375810000000, 0.000000000000000 ] - [ 0.652872900000000, 0.000000000000000, -2.690065910000000 ]- # 13 (O) - [ -2.240586440000000, 0.000000000000000, 0.251320710000000 ] - [ 0.000000000000000, -1.825531810000000, 0.000000000000000 ] - [ 0.224737150000000, 0.000000000000000, -2.055814930000000 ]- # 14 (O) - [ -2.240586440000000, 0.000000000000000, -0.251320710000000 ] - [ 0.000000000000000, -1.825531810000000, 0.000000000000000 ] - [ -0.224737150000000, 0.000000000000000, -2.055814930000000 ]- # 15 (O) - [ -2.240586440000000, 0.000000000000000, 0.251320710000000 ] - [ 0.000000000000000, -1.825531810000000, 0.000000000000000 ] - [ 0.224737150000000, 0.000000000000000, -2.055814930000000 ]- # 16 (O) - [ -2.240586440000000, 0.000000000000000, -0.251320710000000 ] - [ 0.000000000000000, -1.825531810000000, 0.000000000000000 ] - [ -0.224737150000000, 0.000000000000000, -2.055814930000000 ]dielectric_constant: - [ 3.979316910000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.171713480000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.989824280000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1510583600000000, 0.0000000000000000, 0.0033208000000000 ] - [ -0.0133407100000000, 0.0005212600000000, -0.0047880900000000 ] - [ -0.0133407100000000, -0.0005212600000000, -0.0047880900000000 ] - [ -0.0029321000000000, 0.0000000000000000, 0.0000080000000000 ] - [ -0.0017479000000000, -0.0002436300000000, 0.0004162100000000 ] - [ -0.0017479000000000, 0.0002436300000000, 0.0004162100000000 ] - [ -0.0029332900000000, 0.0000000000000000, 0.0010418800000000 ] - [ -0.0017506000000000, 0.0000679400000000, 0.0008585000000000 ] - [ -0.0017506000000000, -0.0000679400000000, 0.0008585000000000 ] - [ 0.0155048800000000, 0.0000000000000000, -0.0005683200000000 ] - [ 0.0038689800000000, 0.0009943700000000, -0.0017311500000000 ] - [ 0.0038689800000000, -0.0009943700000000, -0.0017311500000000 ] - [ 0.0082124300000000, 0.0000000000000000, 0.0012544400000000 ] - [ 0.0046932700000000, -0.0007123600000000, 0.0007037800000000 ] - [ 0.0046932700000000, 0.0007123600000000, 0.0007037800000000 ] - [ 0.0010694700000000, 0.0000000000000000, -0.0009959100000000 ] - [ 0.0007809300000000, 0.0001077700000000, -0.0008255200000000 ] - [ 0.0007809300000000, -0.0001077700000000, -0.0008255200000000 ] - [ 0.0204083900000000, 0.0205700400000000, 0.0109600600000000 ] - [ 0.0008570300000000, 0.0000000000000000, -0.0001385600000000 ] - [ 0.0204083900000000, -0.0205700400000000, 0.0109600600000000 ] - [ 0.0002289900000000, 0.0004065800000000, 0.0004759000000000 ] - [ 0.0000768700000000, 0.0000000000000000, 0.0001072900000000 ] - [ 0.0002289900000000, -0.0004065800000000, 0.0004759000000000 ] - [ -0.0005505500000000, 0.0027869000000000, -0.0042424400000000 ] - [ -0.0004315300000000, 0.0000000000000000, -0.0017209800000000 ] - [ -0.0005505500000000, -0.0027869000000000, -0.0042424400000000 ] - [ 0.0042829100000000, -0.0191842300000000, -0.0151324000000000 ] - [ 0.0002587100000000, 0.0000000000000000, -0.0008088500000000 ] - [ 0.0042829100000000, 0.0191842300000000, -0.0151324000000000 ] - [ 0.0002225400000000, -0.0002369800000000, 0.0002409700000000 ] - [ 0.0002127300000000, 0.0000000000000000, 0.0002144500000000 ] - [ 0.0002225400000000, 0.0002369800000000, 0.0002409700000000 ] - [ 0.0043574900000000, -0.0078509100000000, 0.0106787000000000 ] - [ 0.0002697600000000, 0.0000000000000000, 0.0009293000000000 ] - [ 0.0043574900000000, 0.0078509100000000, 0.0106787000000000 ] - [ 0.0104128400000000, 0.0000000000000000, -0.0138431400000000 ] - [ 0.0006121500000000, 0.0004538700000000, -0.0003191200000000 ] - [ 0.0006121500000000, -0.0004538700000000, -0.0003191200000000 ] - [ -0.0006038800000000, 0.0000000000000000, 0.0036177700000000 ] - [ -0.0004548400000000, 0.0002011800000000, 0.0022804700000000 ] - [ -0.0004548400000000, -0.0002011800000000, 0.0022804700000000 ] - [ 0.0000830200000000, 0.0000000000000000, 0.0008788900000000 ] - [ 0.0000094000000000, -0.0000127500000000, 0.0009185100000000 ] - [ 0.0000094000000000, 0.0000127500000000, 0.0009185100000000 ] - [ 0.0148453300000000, 0.0000000000000000, 0.0063111400000000 ] - [ 0.0006534600000000, -0.0007512600000000, -0.0004229200000000 ] - [ 0.0006534600000000, 0.0007512600000000, -0.0004229200000000 ] - [ -0.0013130300000000, 0.0000000000000000, -0.0022396900000000 ] - [ -0.0006292000000000, 0.0001304600000000, -0.0017045900000000 ] - [ -0.0006292000000000, -0.0001304600000000, -0.0017045900000000 ] - [ 0.0006278900000000, 0.0000000000000000, 0.0000210900000000 ] - [ 0.0002852600000000, 0.0000037000000000, -0.0005100200000000 ] - [ 0.0002852600000000, -0.0000037000000000, -0.0005100200000000 ] - [ -0.0051645300000000, -0.0009913500000000, 0.0053693200000000 ] - [ -0.0007221200000000, 0.0000000000000000, -0.0002031100000000 ] - [ -0.0051645300000000, 0.0009913500000000, 0.0053693200000000 ] - [ -0.0000782500000000, -0.0000107900000000, -0.0008463400000000 ] - [ -0.0000482000000000, 0.0000000000000000, -0.0009156300000000 ] - [ -0.0000782500000000, 0.0000107900000000, -0.0008463400000000 ] - [ -0.0040529000000000, 0.0014927400000000, 0.0015190000000000 ] - [ -0.0004660700000000, 0.0000000000000000, -0.0008299700000000 ] - [ -0.0040529000000000, -0.0014927400000000, 0.0015190000000000 ] - [ 0.0022649400000000, -0.0004396100000000, 0.0031642600000000 ] - [ 0.0008549100000000, 0.0000000000000000, 0.0016507600000000 ] - [ 0.0022649400000000, 0.0004396100000000, 0.0031642600000000 ] - [ 0.0003745000000000, -0.0000374500000000, 0.0011828400000000 ] - [ 0.0003181500000000, 0.0000000000000000, 0.0011277700000000 ] - [ 0.0003745000000000, 0.0000374500000000, 0.0011828400000000 ] - [ 0.0004252700000000, 0.0002396800000000, 0.0014914200000000 ] - [ 0.0002007000000000, 0.0000000000000000, 0.0010779900000000 ] - [ 0.0004252700000000, -0.0002396800000000, 0.0014914200000000 ] - [ -0.0077356400000000, 0.0000000000000000, -0.0068012100000000 ] - [ -0.0038642200000000, -0.0039700800000000, -0.0031661200000000 ] - [ -0.0038642200000000, 0.0039700800000000, -0.0031661200000000 ] - [ -0.0009354500000000, 0.0000000000000000, 0.0005773900000000 ] - [ -0.0008367800000000, -0.0000870300000000, 0.0006217400000000 ] - [ -0.0008367800000000, 0.0000870300000000, 0.0006217400000000 ] - [ -0.0079472600000000, 0.0000000000000000, 0.0100773300000000 ] - [ -0.0014895800000000, -0.0007609100000000, 0.0018960300000000 ] - [ -0.0014895800000000, 0.0007609100000000, 0.0018960300000000 ] - [ 0.0329977000000000, 0.0000000000000000, -0.0125760500000000 ] - [ 0.0019845500000000, 0.0044808500000000, -0.0017603000000000 ] - [ 0.0019845500000000, -0.0044808500000000, -0.0017603000000000 ] - [ 0.0001197700000000, 0.0000000000000000, -0.0000248100000000 ] - [ -0.0002501500000000, 0.0000210400000000, -0.0003470600000000 ] - [ -0.0002501500000000, -0.0000210400000000, -0.0003470600000000 ] - [ 0.0004890100000000, 0.0000000000000000, -0.0044037800000000 ] - [ -0.0000427600000000, 0.0015919400000000, -0.0025564000000000 ] - [ -0.0000427600000000, -0.0015919400000000, -0.0025564000000000 ] - [ 0.0169526000000000, -0.0075887200000000, 0.0070933900000000 ] - [ 0.0024452100000000, 0.0000000000000000, 0.0001507800000000 ] - [ 0.0169526000000000, 0.0075887200000000, 0.0070933900000000 ] - [ 0.0075670000000000, 0.0014176000000000, -0.0008062100000000 ] - [ 0.0021780000000000, 0.0000000000000000, -0.0005651500000000 ] - [ 0.0075670000000000, -0.0014176000000000, -0.0008062100000000 ] - [ 0.0010691500000000, 0.0001442700000000, -0.0008704300000000 ] - [ 0.0010195000000000, 0.0000000000000000, -0.0008013100000000 ] - [ 0.0010691500000000, -0.0001442700000000, -0.0008704300000000 ] - [ -0.0071391400000000, -0.0019020500000000, 0.0025013400000000 ] - [ -0.0012910300000000, 0.0000000000000000, 0.0012017100000000 ] - [ -0.0071391400000000, 0.0019020500000000, 0.0025013400000000 ] - [ -0.0004934900000000, -0.0001242800000000, 0.0004667700000000 ] - [ -0.0003079700000000, 0.0000000000000000, 0.0005033700000000 ] - [ -0.0004934900000000, 0.0001242800000000, 0.0004667700000000 ] - [ -0.0004534600000000, -0.0003034200000000, 0.0014267900000000 ] - [ 0.0001390100000000, 0.0000000000000000, 0.0011430700000000 ] - [ -0.0004534600000000, 0.0003034200000000, 0.0014267900000000 ] - [ 0.0243359100000000, 0.0000000000000000, -0.0083003800000000 ] - [ 0.0011701100000000, -0.0038525100000000, 0.0008856900000000 ] - [ 0.0011701100000000, 0.0038525100000000, 0.0008856900000000 ] - [ 0.0009471800000000, 0.0000000000000000, -0.0028483500000000 ] - [ 0.0007108300000000, -0.0001842900000000, -0.0016257700000000 ] - [ 0.0007108300000000, 0.0001842900000000, -0.0016257700000000 ] - [ 0.0010575800000000, 0.0000000000000000, 0.0003221800000000 ] - [ 0.0007108900000000, -0.0002162700000000, 0.0001502600000000 ] - [ 0.0007108900000000, 0.0002162700000000, 0.0001502600000000 ] - [ -0.0125719000000000, 0.0000000000000000, -0.0098833900000000 ] - [ -0.0019907100000000, 0.0014174600000000, -0.0004810000000000 ] - [ -0.0019907100000000, -0.0014174600000000, -0.0004810000000000 ] - [ -0.0031907800000000, 0.0000000000000000, 0.0044757700000000 ] - [ -0.0020188300000000, 0.0021464600000000, 0.0024306000000000 ] - [ -0.0020188300000000, -0.0021464600000000, 0.0024306000000000 ] - [ -0.0007547900000000, 0.0000000000000000, -0.0004858600000000 ] - [ -0.0004851200000000, 0.0000285000000000, -0.0000307600000000 ] - [ -0.0004851200000000, -0.0000285000000000, -0.0000307600000000 ] - [ 0.0159673700000000, 0.0020389600000000, 0.0021808300000000 ] - [ 0.0028906200000000, 0.0000000000000000, 0.0006207200000000 ] - [ 0.0159673700000000, -0.0020389600000000, 0.0021808300000000 ] - [ 0.0006403600000000, -0.0000257100000000, 0.0002209300000000 ] - [ 0.0005999500000000, 0.0000000000000000, 0.0003149900000000 ] - [ 0.0006403600000000, 0.0000257100000000, 0.0002209300000000 ] - [ 0.0035052200000000, -0.0009066900000000, -0.0014094400000000 ] - [ 0.0009808100000000, 0.0000000000000000, 0.0003170100000000 ] - [ 0.0035052200000000, 0.0009066900000000, -0.0014094400000000 ] - [ -0.0055553300000000, 0.0012570800000000, -0.0007466300000000 ] - [ -0.0021305500000000, 0.0000000000000000, -0.0008581500000000 ] - [ -0.0055553300000000, -0.0012570800000000, -0.0007466300000000 ] - [ -0.0006283600000000, 0.0000437800000000, -0.0002765600000000 ] - [ -0.0005555800000000, 0.0000000000000000, -0.0002485700000000 ] - [ -0.0006283600000000, -0.0000437800000000, -0.0002765600000000 ] - [ -0.0030598300000000, 0.0003605800000000, -0.0010468100000000 ] - [ -0.0014141000000000, 0.0000000000000000, -0.0001810800000000 ] - [ -0.0030598300000000, -0.0003605800000000, -0.0010468100000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1504935600000000, 0.0000000000000000, -0.0036509500000000 ] - [ 0.0131909400000000, -0.0007047500000000, 0.0056658800000000 ] - [ 0.0131909400000000, 0.0007047500000000, 0.0056658800000000 ] - [ 0.0028290700000000, 0.0000000000000000, 0.0009558900000000 ] - [ 0.0016482300000000, 0.0002476400000000, 0.0005468400000000 ] - [ 0.0016482300000000, -0.0002476400000000, 0.0005468400000000 ] - [ 0.0028284100000000, 0.0000000000000000, -0.0000432800000000 ] - [ 0.0016467100000000, -0.0000752800000000, 0.0001267200000000 ] - [ 0.0016467100000000, 0.0000752800000000, 0.0001267200000000 ] - [ -0.0156061700000000, 0.0000000000000000, -0.0004307100000000 ] - [ -0.0039401800000000, -0.0009637400000000, 0.0007517100000000 ] - [ -0.0039401800000000, 0.0009637400000000, 0.0007517100000000 ] - [ -0.0082720800000000, 0.0000000000000000, -0.0021871100000000 ] - [ -0.0047704000000000, 0.0007170600000000, -0.0016523300000000 ] - [ -0.0047704000000000, -0.0007170600000000, -0.0016523300000000 ] - [ -0.0011550800000000, 0.0000000000000000, 0.0000286800000000 ] - [ -0.0008692400000000, -0.0001060500000000, -0.0001386100000000 ] - [ -0.0008692400000000, 0.0001060500000000, -0.0001386100000000 ] - [ -0.0201244600000000, -0.0202995800000000, -0.0117749900000000 ] - [ -0.0007873700000000, 0.0000000000000000, -0.0008315600000000 ] - [ -0.0201244600000000, 0.0202995800000000, -0.0117749900000000 ] - [ -0.0001377800000000, -0.0004033200000000, -0.0014287400000000 ] - [ 0.0000141600000000, 0.0000000000000000, -0.0010622000000000 ] - [ -0.0001377800000000, 0.0004033200000000, -0.0014287400000000 ] - [ 0.0006116100000000, -0.0027502600000000, 0.0032448700000000 ] - [ 0.0005106000000000, 0.0000000000000000, 0.0007505800000000 ] - [ 0.0006116100000000, 0.0027502600000000, 0.0032448700000000 ] - [ -0.0041845000000000, 0.0192157900000000, 0.0161439600000000 ] - [ -0.0001486500000000, 0.0000000000000000, 0.0017591400000000 ] - [ -0.0041845000000000, -0.0192157900000000, 0.0161439600000000 ] - [ -0.0001210400000000, 0.0002354700000000, 0.0007295300000000 ] - [ -0.0001130300000000, 0.0000000000000000, 0.0007570900000000 ] - [ -0.0001210400000000, -0.0002354700000000, 0.0007295300000000 ] - [ -0.0041089000000000, 0.0079360800000000, -0.0097255700000000 ] - [ -0.0001370700000000, 0.0000000000000000, 0.0000458200000000 ] - [ -0.0041089000000000, -0.0079360800000000, -0.0097255700000000 ] - [ -0.0102203100000000, 0.0000000000000000, 0.0156328400000000 ] - [ -0.0007116000000000, -0.0004484600000000, 0.0023144100000000 ] - [ -0.0007116000000000, 0.0004484600000000, 0.0023144100000000 ] - [ 0.0004941000000000, 0.0000000000000000, -0.0015976600000000 ] - [ 0.0003498300000000, -0.0002008200000000, -0.0002718100000000 ] - [ 0.0003498300000000, 0.0002008200000000, -0.0002718100000000 ] - [ -0.0001806600000000, 0.0000000000000000, 0.0011241100000000 ] - [ -0.0001078400000000, 0.0000130600000000, 0.0010844200000000 ] - [ -0.0001078400000000, -0.0000130600000000, 0.0010844200000000 ] - [ -0.0151325600000000, 0.0000000000000000, -0.0082839400000000 ] - [ -0.0007429300000000, 0.0007533900000000, -0.0015811700000000 ] - [ -0.0007429300000000, -0.0007533900000000, -0.0015811700000000 ] - [ 0.0012140100000000, 0.0000000000000000, 0.0002439000000000 ] - [ 0.0005326400000000, -0.0001312300000000, -0.0002933600000000 ] - [ 0.0005326400000000, 0.0001312300000000, -0.0002933600000000 ] - [ -0.0007170800000000, 0.0000000000000000, -0.0020092500000000 ] - [ -0.0003763300000000, -0.0000034300000000, -0.0014814300000000 ] - [ -0.0003763300000000, 0.0000034300000000, -0.0014814300000000 ] - [ 0.0052503300000000, 0.0009789700000000, -0.0073568100000000 ] - [ 0.0008241000000000, 0.0000000000000000, -0.0018048100000000 ] - [ 0.0052503300000000, -0.0009789700000000, -0.0073568100000000 ] - [ 0.0001724800000000, 0.0000107200000000, -0.0011486900000000 ] - [ 0.0001428500000000, 0.0000000000000000, -0.0010797100000000 ] - [ 0.0001724800000000, -0.0000107200000000, -0.0011486900000000 ] - [ 0.0040848600000000, -0.0014981900000000, -0.0034315200000000 ] - [ 0.0005542500000000, 0.0000000000000000, -0.0011604700000000 ] - [ 0.0040848600000000, 0.0014981900000000, -0.0034315200000000 ] - [ -0.0021627400000000, 0.0004427300000000, -0.0011514800000000 ] - [ -0.0007537200000000, 0.0000000000000000, 0.0003500800000000 ] - [ -0.0021627400000000, -0.0004427300000000, -0.0011514800000000 ] - [ -0.0002743400000000, 0.0000372200000000, 0.0008214200000000 ] - [ -0.0002185800000000, 0.0000000000000000, 0.0008757900000000 ] - [ -0.0002743400000000, -0.0000372200000000, 0.0008214200000000 ] - [ -0.0003278300000000, -0.0002408600000000, 0.0005073100000000 ] - [ -0.0001024200000000, 0.0000000000000000, 0.0009236300000000 ] - [ -0.0003278300000000, 0.0002408600000000, 0.0005073100000000 ] - [ 0.0064146800000000, 0.0000000000000000, 0.0083141400000000 ] - [ 0.0025721100000000, 0.0039296200000000, 0.0047169700000000 ] - [ 0.0025721100000000, -0.0039296200000000, 0.0047169700000000 ] - [ -0.0003464300000000, 0.0000000000000000, 0.0009943100000000 ] - [ -0.0004442300000000, 0.0000863700000000, 0.0009488100000000 ] - [ -0.0004442300000000, -0.0000863700000000, 0.0009488100000000 ] - [ 0.0066123500000000, 0.0000000000000000, -0.0083893300000000 ] - [ 0.0002119600000000, 0.0007519500000000, -0.0003124700000000 ] - [ 0.0002119600000000, -0.0007519500000000, -0.0003124700000000 ] - [ -0.0367001200000000, 0.0000000000000000, 0.0128849100000000 ] - [ -0.0032918600000000, -0.0044864500000000, 0.0002102700000000 ] - [ -0.0032918600000000, 0.0044864500000000, 0.0002102700000000 ] - [ -0.0013983300000000, 0.0000000000000000, -0.0015551800000000 ] - [ -0.0010301000000000, -0.0000215500000000, -0.0012323000000000 ] - [ -0.0010301000000000, 0.0000215500000000, -0.0012323000000000 ] - [ -0.0017894000000000, 0.0000000000000000, 0.0028084300000000 ] - [ -0.0012456100000000, -0.0015842800000000, 0.0009636800000000 ] - [ -0.0012456100000000, 0.0015842800000000, 0.0009636800000000 ] - [ -0.0156689900000000, 0.0077452400000000, -0.0087576800000000 ] - [ -0.0011712900000000, 0.0000000000000000, -0.0017392700000000 ] - [ -0.0156689900000000, -0.0077452400000000, -0.0087576800000000 ] - [ -0.0062865400000000, -0.0014213300000000, -0.0007751600000000 ] - [ -0.0008976100000000, 0.0000000000000000, -0.0010022200000000 ] - [ -0.0062865400000000, 0.0014213300000000, -0.0007751600000000 ] - [ 0.0002090300000000, -0.0001423100000000, -0.0007182400000000 ] - [ 0.0002596600000000, 0.0000000000000000, -0.0007845300000000 ] - [ 0.0002090300000000, 0.0001423100000000, -0.0007182400000000 ] - [ 0.0083903500000000, 0.0018698300000000, -0.0009172400000000 ] - [ 0.0025649800000000, 0.0000000000000000, 0.0003758500000000 ] - [ 0.0083903500000000, -0.0018698300000000, -0.0009172400000000 ] - [ 0.0017732000000000, 0.0001202000000000, 0.0010958700000000 ] - [ 0.0015875800000000, 0.0000000000000000, 0.0010631200000000 ] - [ 0.0017732000000000, -0.0001202000000000, 0.0010958700000000 ] - [ 0.0017316200000000, 0.0002997300000000, 0.0001544700000000 ] - [ 0.0011411900000000, 0.0000000000000000, 0.0004306300000000 ] - [ 0.0017316200000000, -0.0002997300000000, 0.0001544700000000 ] - [ -0.0219055800000000, 0.0000000000000000, 0.0069792500000000 ] - [ -0.0010603000000000, 0.0038214000000000, -0.0014926200000000 ] - [ -0.0010603000000000, -0.0038214000000000, -0.0014926200000000 ] - [ -0.0008667500000000, 0.0000000000000000, 0.0022252000000000 ] - [ -0.0006322800000000, 0.0001833200000000, 0.0010095300000000 ] - [ -0.0006322800000000, -0.0001833200000000, 0.0010095300000000 ] - [ -0.0009705600000000, 0.0000000000000000, -0.0009346300000000 ] - [ -0.0006289300000000, 0.0002147100000000, -0.0007617100000000 ] - [ -0.0006289300000000, -0.0002147100000000, -0.0007617100000000 ] - [ 0.0127811700000000, 0.0000000000000000, 0.0105781800000000 ] - [ 0.0020215200000000, -0.0014176000000000, 0.0010945800000000 ] - [ 0.0020215200000000, 0.0014176000000000, 0.0010945800000000 ] - [ 0.0032468700000000, 0.0000000000000000, -0.0038583400000000 ] - [ 0.0020779500000000, -0.0021488500000000, -0.0018207800000000 ] - [ 0.0020779500000000, 0.0021488500000000, -0.0018207800000000 ] - [ 0.0008167300000000, 0.0000000000000000, 0.0010858100000000 ] - [ 0.0005487200000000, -0.0000288300000000, 0.0006314800000000 ] - [ 0.0005487200000000, 0.0000288300000000, 0.0006314800000000 ] - [ -0.0160032600000000, -0.0019846800000000, -0.0015264300000000 ] - [ -0.0029307500000000, 0.0000000000000000, 0.0000103100000000 ] - [ -0.0160032600000000, 0.0019846800000000, -0.0015264300000000 ] - [ -0.0007066000000000, 0.0000247500000000, 0.0003840500000000 ] - [ -0.0006658100000000, 0.0000000000000000, 0.0002895100000000 ] - [ -0.0007066000000000, -0.0000247500000000, 0.0003840500000000 ] - [ -0.0035226500000000, 0.0009025900000000, 0.0019562600000000 ] - [ -0.0010381300000000, 0.0000000000000000, 0.0002807800000000 ] - [ -0.0035226500000000, -0.0009025900000000, 0.0019562600000000 ] - [ 0.0054695800000000, -0.0012618900000000, 0.0001189800000000 ] - [ 0.0020469600000000, 0.0000000000000000, 0.0002497300000000 ] - [ 0.0054695800000000, 0.0012618900000000, 0.0001189800000000 ] - [ 0.0005527400000000, -0.0000437700000000, -0.0003347300000000 ] - [ 0.0004799500000000, 0.0000000000000000, -0.0003646100000000 ] - [ 0.0005527400000000, 0.0000437700000000, -0.0003347300000000 ] - [ 0.0029551800000000, -0.0003745400000000, 0.0004516800000000 ] - [ 0.0013280500000000, 0.0000000000000000, -0.0004236300000000 ] - [ 0.0029551800000000, 0.0003745400000000, 0.0004516800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002445600000000, -0.1826646000000000, 0.0014667700000000 ] - [ -0.0006497400000000, 0.0511922300000000, 0.0030851500000000 ] - [ 0.0005729500000000, 0.0505434000000000, -0.0021082000000000 ] - [ -0.0000371100000000, -0.0058483700000000, 0.0004758800000000 ] - [ -0.0001067300000000, 0.0029095000000000, 0.0027919700000000 ] - [ 0.0000370000000000, 0.0029186800000000, -0.0018220800000000 ] - [ -0.0000360400000000, -0.0058467800000000, 0.0004778700000000 ] - [ 0.0002085600000000, 0.0029144800000000, -0.0027457000000000 ] - [ -0.0002820200000000, 0.0029129400000000, 0.0037024200000000 ] - [ -0.0000387700000000, -0.0044767700000000, -0.0004766900000000 ] - [ -0.0010166400000000, 0.0022541500000000, -0.0008491000000000 ] - [ 0.0009419200000000, 0.0022732700000000, -0.0001179000000000 ] - [ -0.0000286200000000, -0.0014065900000000, -0.0004915400000000 ] - [ 0.0006810000000000, 0.0006896300000000, 0.0005394900000000 ] - [ -0.0007482200000000, 0.0007007100000000, -0.0015108900000000 ] - [ -0.0000362600000000, -0.0012193700000000, -0.0004867700000000 ] - [ -0.0001432300000000, 0.0006092000000000, -0.0008032400000000 ] - [ 0.0000713200000000, 0.0006122800000000, -0.0001710300000000 ] - [ 0.0204884200000000, -0.0029387300000000, -0.0019755200000000 ] - [ 0.0000520900000000, 0.0082580800000000, -0.0004723100000000 ] - [ -0.0203778600000000, -0.0028452700000000, 0.0009930900000000 ] - [ 0.0004421500000000, -0.0007779200000000, 0.0000873600000000 ] - [ 0.0000368800000000, 0.0015547300000000, -0.0004864900000000 ] - [ -0.0003675200000000, -0.0007749600000000, -0.0010629700000000 ] - [ 0.0028134700000000, -0.0014140100000000, -0.0019437500000000 ] - [ 0.0000394800000000, 0.0029574800000000, -0.0004874100000000 ] - [ -0.0027250600000000, -0.0013951700000000, 0.0009803500000000 ] - [ -0.0078673600000000, -0.0033447000000000, 0.0057745500000000 ] - [ 0.0000248300000000, 0.0080918500000000, 0.0005024100000000 ] - [ 0.0079185300000000, -0.0031824000000000, -0.0048442000000000 ] - [ -0.0002015600000000, -0.0006515400000000, 0.0003694700000000 ] - [ 0.0000343300000000, 0.0013077900000000, 0.0004812000000000 ] - [ 0.0002699200000000, -0.0006501200000000, 0.0005917600000000 ] - [ -0.0191983000000000, -0.0032804100000000, -0.0150265500000000 ] - [ 0.0000203600000000, 0.0080901300000000, 0.0004725000000000 ] - [ 0.0192007500000000, -0.0032447500000000, 0.0159597200000000 ] - [ -0.0000677300000000, 0.0003586800000000, 0.0010286900000000 ] - [ 0.0012244000000000, 0.0002365600000000, -0.0009081700000000 ] - [ -0.0013150200000000, 0.0002387100000000, 0.0028982500000000 ] - [ -0.0000485500000000, -0.0011895800000000, 0.0009983600000000 ] - [ 0.0003567300000000, 0.0006029400000000, 0.0018153100000000 ] - [ -0.0004559400000000, 0.0006045900000000, 0.0001868300000000 ] - [ -0.0000492300000000, 0.0001431900000000, 0.0010004000000000 ] - [ 0.0000373500000000, -0.0000730500000000, 0.0007248000000000 ] - [ -0.0001346700000000, -0.0000728900000000, 0.0012734700000000 ] - [ -0.0000102800000000, -0.0029066300000000, -0.0009644700000000 ] - [ -0.0014170100000000, 0.0009146900000000, -0.0013141800000000 ] - [ 0.0013076700000000, 0.0009136500000000, -0.0006909400000000 ] - [ -0.0000527000000000, -0.0001530100000000, -0.0010043300000000 ] - [ -0.0000551600000000, 0.0000847100000000, -0.0008507300000000 ] - [ -0.0000458500000000, 0.0000836100000000, -0.0011545300000000 ] - [ -0.0000516700000000, -0.0000316800000000, -0.0010050300000000 ] - [ -0.0006954300000000, 0.0000193900000000, -0.0021684000000000 ] - [ 0.0005940000000000, 0.0000193600000000, 0.0001620400000000 ] - [ -0.0055140900000000, 0.0003249100000000, 0.0107902300000000 ] - [ 0.0000461300000000, 0.0008201000000000, -0.0009933700000000 ] - [ 0.0055903500000000, 0.0003027000000000, -0.0126693200000000 ] - [ 0.0000596200000000, 0.0000106400000000, -0.0010684000000000 ] - [ 0.0000498000000000, -0.0000215600000000, -0.0010015600000000 ] - [ 0.0000411800000000, 0.0000106300000000, -0.0009374400000000 ] - [ 0.0074905900000000, 0.0000888700000000, -0.0144316700000000 ] - [ 0.0000543000000000, 0.0009985600000000, -0.0010089000000000 ] - [ -0.0073591200000000, 0.0000882500000000, 0.0123626700000000 ] - [ 0.0001686600000000, -0.0001989600000000, 0.0013708300000000 ] - [ 0.0000492100000000, 0.0003730200000000, 0.0010023200000000 ] - [ -0.0000647400000000, -0.0001948200000000, 0.0006387600000000 ] - [ 0.0000722300000000, -0.0000126300000000, 0.0010648600000000 ] - [ 0.0000489800000000, 0.0000240000000000, 0.0009997300000000 ] - [ 0.0000245700000000, -0.0000122000000000, 0.0009307800000000 ] - [ -0.0000505600000000, -0.0000436700000000, 0.0001700600000000 ] - [ 0.0000492400000000, 0.0000932500000000, 0.0009999500000000 ] - [ 0.0001497400000000, -0.0000440100000000, 0.0018330700000000 ] - [ -0.0006395900000000, 0.0058185500000000, 0.0007919400000000 ] - [ -0.0029622600000000, -0.0029041100000000, -0.0001464600000000 ] - [ 0.0016805100000000, -0.0029285700000000, 0.0017175900000000 ] - [ -0.0006393400000000, 0.0005125700000000, 0.0007884500000000 ] - [ -0.0007224500000000, -0.0002563200000000, 0.0010104500000000 ] - [ -0.0005560000000000, -0.0002573600000000, 0.0005665600000000 ] - [ -0.0006313000000000, 0.0019797200000000, 0.0007609700000000 ] - [ -0.0012394400000000, -0.0010499400000000, 0.0025287500000000 ] - [ -0.0000453500000000, -0.0010564700000000, -0.0009485200000000 ] - [ -0.0005976700000000, 0.0170927200000000, -0.0008485700000000 ] - [ 0.0057440300000000, -0.0054577300000000, -0.0061216300000000 ] - [ -0.0069640700000000, -0.0054505700000000, 0.0044980800000000 ] - [ -0.0006383700000000, 0.0009667900000000, -0.0007813300000000 ] - [ -0.0002587300000000, -0.0004846300000000, -0.0014421600000000 ] - [ -0.0010186000000000, -0.0004855300000000, -0.0001258700000000 ] - [ -0.0006327700000000, 0.0088017700000000, -0.0007815800000000 ] - [ -0.0002470800000000, -0.0043364400000000, 0.0021318400000000 ] - [ -0.0010293700000000, -0.0043464000000000, -0.0037020400000000 ] - [ -0.0018356000000000, 0.0330047300000000, -0.0133924200000000 ] - [ 0.0006512200000000, -0.0151228100000000, -0.0007687900000000 ] - [ 0.0024630900000000, 0.0311219100000000, 0.0103205000000000 ] - [ 0.0045157500000000, 0.0011339600000000, -0.0084308200000000 ] - [ 0.0006392300000000, -0.0022245600000000, -0.0007947600000000 ] - [ -0.0031955300000000, 0.0011185400000000, 0.0068477700000000 ] - [ 0.0009876200000000, 0.0009001400000000, -0.0002565300000000 ] - [ 0.0006404000000000, -0.0018102300000000, -0.0007827700000000 ] - [ 0.0002932300000000, 0.0009000400000000, -0.0013075900000000 ] - [ -0.0018467600000000, 0.0013612800000000, 0.0028805900000000 ] - [ 0.0006354700000000, -0.0026320400000000, 0.0007859800000000 ] - [ 0.0031290300000000, 0.0013415200000000, -0.0013124300000000 ] - [ 0.0005371400000000, 0.0004831900000000, 0.0006561400000000 ] - [ 0.0006377900000000, -0.0009522600000000, 0.0007886300000000 ] - [ 0.0007372600000000, 0.0004784900000000, 0.0009224400000000 ] - [ 0.0003237300000000, 0.0003283500000000, 0.0019667900000000 ] - [ 0.0006383500000000, -0.0006661600000000, 0.0007889500000000 ] - [ 0.0009539400000000, 0.0003259900000000, -0.0003942400000000 ] - [ -0.0000663900000000, 0.0124663900000000, -0.0002928500000000 ] - [ -0.0053006900000000, -0.0044764900000000, 0.0007168500000000 ] - [ 0.0053338600000000, -0.0044719500000000, -0.0013224700000000 ] - [ 0.0000357300000000, 0.0014330800000000, -0.0002972800000000 ] - [ -0.0005053300000000, -0.0007269800000000, -0.0015560100000000 ] - [ 0.0005768800000000, -0.0007293600000000, 0.0009558800000000 ] - [ 0.0000334000000000, 0.0013623500000000, -0.0002995900000000 ] - [ -0.0005821100000000, -0.0006996200000000, 0.0003170900000000 ] - [ 0.0006497000000000, -0.0007011700000000, -0.0009127800000000 ] - [ 0.0000259000000000, 0.0065520700000000, 0.0002672700000000 ] - [ 0.0033281200000000, -0.0031663800000000, 0.0013564800000000 ] - [ -0.0032365700000000, -0.0031704800000000, -0.0007468700000000 ] - [ 0.0000343300000000, 0.0014615600000000, 0.0003107800000000 ] - [ 0.0001111300000000, -0.0006765700000000, 0.0000798400000000 ] - [ -0.0000393700000000, -0.0006979800000000, 0.0005263600000000 ] - [ 0.0000385300000000, 0.0003670800000000, 0.0003045200000000 ] - [ 0.0004162100000000, -0.0001855000000000, 0.0013413700000000 ] - [ -0.0003412000000000, -0.0001861100000000, -0.0007353200000000 ] - [ -0.0006733300000000, 0.0125427100000000, 0.0015746500000000 ] - [ -0.0000464200000000, -0.0103838000000000, 0.0002898300000000 ] - [ 0.0010096900000000, 0.0116505000000000, -0.0003957300000000 ] - [ -0.0001768100000000, 0.0004004500000000, 0.0001424400000000 ] - [ -0.0000364600000000, -0.0008024600000000, 0.0003012700000000 ] - [ 0.0001025000000000, 0.0003987000000000, 0.0004630100000000 ] - [ -0.0047370200000000, 0.0009196400000000, 0.0109791500000000 ] - [ -0.0000398500000000, -0.0019358400000000, 0.0003090200000000 ] - [ 0.0046429600000000, 0.0009187500000000, -0.0103413700000000 ] - [ 0.0004931900000000, 0.0006824200000000, -0.0008675700000000 ] - [ -0.0000320300000000, -0.0012802100000000, -0.0003039900000000 ] - [ -0.0005846900000000, 0.0006653100000000, 0.0002696100000000 ] - [ 0.0000542000000000, 0.0001700400000000, -0.0003195400000000 ] - [ -0.0000355000000000, -0.0003410400000000, -0.0002984800000000 ] - [ -0.0001241600000000, 0.0001691200000000, -0.0002743300000000 ] - [ 0.0035991600000000, 0.0007773500000000, 0.0004317900000000 ] - [ -0.0000319000000000, -0.0015498700000000, -0.0002997200000000 ] - [ -0.0036676600000000, 0.0007677800000000, -0.0010368100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0041691200000000, 0.0000000000000000, -0.1372777000000000 ] - [ -0.0052608100000000, -0.0026553300000000, -0.0232613600000000 ] - [ -0.0052608100000000, 0.0026553300000000, -0.0232613600000000 ] - [ 0.0005076900000000, 0.0000000000000000, 0.0089874700000000 ] - [ 0.0003329000000000, 0.0032355100000000, 0.0048623100000000 ] - [ 0.0003329000000000, -0.0032355100000000, 0.0048623100000000 ] - [ -0.0005087300000000, 0.0000000000000000, 0.0089413200000000 ] - [ -0.0001032900000000, -0.0022984100000000, 0.0048607300000000 ] - [ -0.0001032900000000, 0.0022984100000000, 0.0048607300000000 ] - [ 0.0000141700000000, 0.0000000000000000, -0.0031922200000000 ] - [ 0.0012070000000000, -0.0003679400000000, -0.0026687100000000 ] - [ 0.0012070000000000, 0.0003679400000000, -0.0026687100000000 ] - [ -0.0017597100000000, 0.0000000000000000, 0.0006997300000000 ] - [ -0.0012177600000000, 0.0010266400000000, -0.0002961700000000 ] - [ -0.0012177600000000, -0.0010266400000000, -0.0002961700000000 ] - [ 0.0004750000000000, 0.0000000000000000, 0.0024691300000000 ] - [ 0.0003083500000000, -0.0003161000000000, 0.0020612400000000 ] - [ 0.0003083500000000, 0.0003161000000000, 0.0020612400000000 ] - [ 0.0113851500000000, -0.0015129900000000, -0.0136498200000000 ] - [ 0.0003766300000000, 0.0000000000000000, -0.0045316600000000 ] - [ 0.0113851500000000, 0.0015129900000000, -0.0136498200000000 ] - [ 0.0009928300000000, 0.0005779300000000, 0.0026797700000000 ] - [ 0.0006225700000000, 0.0000000000000000, 0.0018781100000000 ] - [ 0.0009928300000000, -0.0005779300000000, 0.0026797700000000 ] - [ -0.0036963600000000, -0.0014653500000000, 0.0020113600000000 ] - [ -0.0011985400000000, 0.0000000000000000, 0.0004585700000000 ] - [ -0.0036963600000000, 0.0014653500000000, 0.0020113600000000 ] - [ -0.0102170200000000, 0.0155280500000000, 0.0088961900000000 ] - [ -0.0004078700000000, 0.0000000000000000, -0.0006919800000000 ] - [ -0.0102170200000000, -0.0155280500000000, 0.0088961900000000 ] - [ 0.0002760100000000, 0.0001146800000000, 0.0048728500000000 ] - [ 0.0003044500000000, 0.0000000000000000, 0.0040587200000000 ] - [ 0.0002760100000000, -0.0001146800000000, 0.0048728500000000 ] - [ 0.0156576700000000, -0.0052697500000000, 0.0089000800000000 ] - [ 0.0013223900000000, 0.0000000000000000, -0.0006739300000000 ] - [ 0.0156576700000000, 0.0052697500000000, 0.0089000800000000 ] - [ -0.0057586900000000, 0.0000000000000000, 0.0029195000000000 ] - [ -0.0002344000000000, -0.0008648200000000, 0.0001281600000000 ] - [ -0.0002344000000000, 0.0008648200000000, 0.0001281600000000 ] - [ 0.0013820200000000, 0.0000000000000000, 0.0017083300000000 ] - [ 0.0005015300000000, 0.0004545700000000, 0.0010876100000000 ] - [ 0.0005015300000000, -0.0004545700000000, 0.0010876100000000 ] - [ -0.0007141600000000, 0.0000000000000000, 0.0026875600000000 ] - [ -0.0005976200000000, 0.0000745800000000, 0.0023798100000000 ] - [ -0.0005976200000000, -0.0000745800000000, 0.0023798100000000 ] - [ -0.0040815600000000, 0.0000000000000000, -0.0164391000000000 ] - [ -0.0009099000000000, -0.0002391600000000, -0.0043384900000000 ] - [ -0.0009099000000000, 0.0002391600000000, -0.0043384900000000 ] - [ 0.0007155600000000, 0.0000000000000000, 0.0007659000000000 ] - [ 0.0003808700000000, 0.0000222200000000, 0.0002208900000000 ] - [ 0.0003808700000000, -0.0000222200000000, 0.0002208900000000 ] - [ 0.0016594700000000, 0.0000000000000000, 0.0018982000000000 ] - [ 0.0008918400000000, -0.0000319700000000, 0.0006138100000000 ] - [ 0.0008918400000000, 0.0000319700000000, 0.0006138100000000 ] - [ -0.0000771900000000, 0.0061452500000000, 0.0080941000000000 ] - [ 0.0006592300000000, 0.0000000000000000, -0.0017718400000000 ] - [ -0.0000771900000000, -0.0061452500000000, 0.0080941000000000 ] - [ -0.0009424400000000, -0.0000277000000000, 0.0009356800000000 ] - [ -0.0007440800000000, 0.0000000000000000, 0.0006026200000000 ] - [ -0.0009424400000000, 0.0000277000000000, 0.0009356800000000 ] - [ -0.0036287400000000, -0.0032288200000000, 0.0074600900000000 ] - [ -0.0000099000000000, 0.0000000000000000, -0.0013123500000000 ] - [ -0.0036287400000000, 0.0032288200000000, 0.0074600900000000 ] - [ -0.0009514400000000, 0.0002812700000000, -0.0013217800000000 ] - [ -0.0004646300000000, 0.0000000000000000, -0.0004767900000000 ] - [ -0.0009514400000000, -0.0002812700000000, -0.0013217800000000 ] - [ 0.0004119300000000, 0.0000512700000000, 0.0021095100000000 ] - [ 0.0003576000000000, 0.0000000000000000, 0.0019263600000000 ] - [ 0.0004119300000000, -0.0000512700000000, 0.0021095100000000 ] - [ 0.0003042200000000, -0.0001091400000000, 0.0019244000000000 ] - [ 0.0002818300000000, 0.0000000000000000, 0.0015315200000000 ] - [ 0.0003042200000000, 0.0001091400000000, 0.0019244000000000 ] - [ -0.0029006800000000, 0.0000000000000000, 0.0030895700000000 ] - [ -0.0012054300000000, -0.0009962900000000, 0.0024068500000000 ] - [ -0.0012054300000000, 0.0009962900000000, 0.0024068500000000 ] - [ -0.0013396500000000, 0.0000000000000000, -0.0020469200000000 ] - [ -0.0012801100000000, -0.0001376000000000, -0.0016107700000000 ] - [ -0.0012801100000000, 0.0001376000000000, -0.0016107700000000 ] - [ 0.0011064400000000, 0.0000000000000000, 0.0000343200000000 ] - [ -0.0002484600000000, 0.0008323700000000, 0.0015946100000000 ] - [ -0.0002484600000000, -0.0008323700000000, 0.0015946100000000 ] - [ -0.0168033200000000, 0.0000000000000000, 0.0241568100000000 ] - [ -0.0016334800000000, -0.0042546200000000, 0.0053307400000000 ] - [ -0.0016334800000000, 0.0042546200000000, 0.0053307400000000 ] - [ 0.0007553500000000, 0.0000000000000000, -0.0048723900000000 ] - [ 0.0004141200000000, -0.0002563700000000, -0.0037703900000000 ] - [ 0.0004141200000000, 0.0002563700000000, -0.0037703900000000 ] - [ -0.0024842400000000, 0.0000000000000000, -0.0062111000000000 ] - [ -0.0010516800000000, 0.0026491800000000, -0.0034318300000000 ] - [ -0.0010516800000000, -0.0026491800000000, -0.0034318300000000 ] - [ 0.0061037200000000, -0.0142560200000000, 0.0283901300000000 ] - [ 0.0016483300000000, 0.0000000000000000, 0.0026647800000000 ] - [ 0.0061037200000000, 0.0142560200000000, 0.0283901300000000 ] - [ 0.0008798300000000, -0.0027301800000000, -0.0082169500000000 ] - [ 0.0003835900000000, 0.0000000000000000, -0.0006392200000000 ] - [ 0.0008798300000000, 0.0027301800000000, -0.0082169500000000 ] - [ -0.0003633000000000, 0.0007101300000000, -0.0047755100000000 ] - [ -0.0001411600000000, 0.0000000000000000, -0.0040005400000000 ] - [ -0.0003633000000000, -0.0007101300000000, -0.0047755100000000 ] - [ -0.0006324800000000, 0.0009511500000000, 0.0054011300000000 ] - [ -0.0001642100000000, 0.0000000000000000, 0.0032667000000000 ] - [ -0.0006324800000000, -0.0009511500000000, 0.0054011300000000 ] - [ 0.0009338200000000, -0.0005276300000000, -0.0007008400000000 ] - [ 0.0009885300000000, 0.0000000000000000, -0.0004007500000000 ] - [ 0.0009338200000000, 0.0005276300000000, -0.0007008400000000 ] - [ 0.0015589600000000, 0.0002346500000000, -0.0014182700000000 ] - [ 0.0011833300000000, 0.0000000000000000, -0.0006256700000000 ] - [ 0.0015589600000000, -0.0002346500000000, -0.0014182700000000 ] - [ 0.0020700000000000, 0.0000000000000000, 0.0164398000000000 ] - [ 0.0010010200000000, 0.0006966200000000, 0.0041572800000000 ] - [ 0.0010010200000000, -0.0006966200000000, 0.0041572800000000 ] - [ -0.0018600500000000, 0.0000000000000000, -0.0025879400000000 ] - [ -0.0009143100000000, -0.0006098800000000, -0.0013253800000000 ] - [ -0.0009143100000000, 0.0006098800000000, -0.0013253800000000 ] - [ 0.0015289000000000, 0.0000000000000000, -0.0027557300000000 ] - [ 0.0009976200000000, 0.0005187300000000, -0.0021620500000000 ] - [ 0.0009976200000000, -0.0005187300000000, -0.0021620500000000 ] - [ -0.0040206300000000, 0.0000000000000000, 0.0103872700000000 ] - [ -0.0021170800000000, 0.0016782100000000, 0.0032490000000000 ] - [ -0.0021170800000000, -0.0016782100000000, 0.0032490000000000 ] - [ 0.0020447600000000, 0.0000000000000000, -0.0025673500000000 ] - [ 0.0013157100000000, -0.0020002000000000, -0.0012697100000000 ] - [ 0.0013157100000000, 0.0020002000000000, -0.0012697100000000 ] - [ -0.0009760900000000, 0.0000000000000000, -0.0031136100000000 ] - [ -0.0004949900000000, 0.0000651500000000, -0.0019019100000000 ] - [ -0.0004949900000000, -0.0000651500000000, -0.0019019100000000 ] - [ -0.0003414200000000, -0.0005804700000000, 0.0188575500000000 ] - [ 0.0011435100000000, 0.0000000000000000, 0.0047856900000000 ] - [ -0.0003414200000000, 0.0005804700000000, 0.0188575500000000 ] - [ -0.0001722300000000, -0.0003972300000000, -0.0026189000000000 ] - [ -0.0001732300000000, 0.0000000000000000, -0.0020833600000000 ] - [ -0.0001722300000000, 0.0003972300000000, -0.0026189000000000 ] - [ 0.0027042200000000, 0.0018419400000000, -0.0067659900000000 ] - [ 0.0005292800000000, 0.0000000000000000, -0.0000772400000000 ] - [ 0.0027042200000000, -0.0018419400000000, -0.0067659900000000 ] - [ 0.0030406800000000, -0.0013276000000000, 0.0009157100000000 ] - [ 0.0006241200000000, 0.0000000000000000, 0.0011008500000000 ] - [ 0.0030406800000000, 0.0013276000000000, 0.0009157100000000 ] - [ -0.0002062400000000, 0.0000274100000000, -0.0020911300000000 ] - [ -0.0001529300000000, 0.0000000000000000, -0.0018173700000000 ] - [ -0.0002062400000000, -0.0000274100000000, -0.0020911300000000 ] - [ -0.0027653400000000, 0.0002740200000000, -0.0003046600000000 ] - [ -0.0008627600000000, 0.0000000000000000, -0.0002939400000000 ] - [ -0.0027653400000000, -0.0002740200000000, -0.0003046600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0027562400000000, 0.0000000000000000, 0.1385388700000000 ] - [ 0.0051923300000000, 0.0025378400000000, 0.0241993100000000 ] - [ 0.0051923300000000, -0.0025378400000000, 0.0241993100000000 ] - [ -0.0005769800000000, 0.0000000000000000, -0.0079650800000000 ] - [ -0.0003987000000000, -0.0032132900000000, -0.0038838700000000 ] - [ -0.0003987000000000, 0.0032132900000000, -0.0038838700000000 ] - [ 0.0004403000000000, 0.0000000000000000, -0.0080117400000000 ] - [ 0.0000273100000000, 0.0023157100000000, -0.0038862800000000 ] - [ 0.0000273100000000, -0.0023157100000000, -0.0038862800000000 ] - [ -0.0001231600000000, 0.0000000000000000, 0.0022322600000000 ] - [ -0.0012764400000000, 0.0003643100000000, 0.0017090500000000 ] - [ -0.0012764400000000, -0.0003643100000000, 0.0017090500000000 ] - [ 0.0016815100000000, 0.0000000000000000, -0.0016810000000000 ] - [ 0.0011386600000000, -0.0010233800000000, -0.0006864000000000 ] - [ 0.0011386600000000, 0.0010233800000000, -0.0006864000000000 ] - [ -0.0005497200000000, 0.0000000000000000, -0.0034356700000000 ] - [ -0.0003801700000000, 0.0003162900000000, -0.0030273200000000 ] - [ -0.0003801700000000, -0.0003162900000000, -0.0030273200000000 ] - [ -0.0113478600000000, 0.0014553700000000, 0.0125803500000000 ] - [ -0.0003146600000000, 0.0000000000000000, 0.0035527000000000 ] - [ -0.0113478600000000, -0.0014553700000000, 0.0125803500000000 ] - [ -0.0009108900000000, -0.0005721500000000, -0.0036472200000000 ] - [ -0.0005458500000000, 0.0000000000000000, -0.0028496500000000 ] - [ -0.0009108900000000, 0.0005721500000000, -0.0036472200000000 ] - [ 0.0037906100000000, 0.0014590500000000, -0.0029676500000000 ] - [ 0.0012708000000000, 0.0000000000000000, -0.0014162300000000 ] - [ 0.0037906100000000, -0.0014590500000000, -0.0029676500000000 ] - [ 0.0101877100000000, -0.0154562800000000, -0.0079252300000000 ] - [ 0.0004748100000000, 0.0000000000000000, 0.0016466800000000 ] - [ 0.0101877100000000, 0.0154562800000000, -0.0079252300000000 ] - [ -0.0002120800000000, -0.0001078000000000, -0.0038996400000000 ] - [ -0.0002379800000000, 0.0000000000000000, -0.0030834700000000 ] - [ -0.0002120800000000, 0.0001078000000000, -0.0038996400000000 ] - [ -0.0156171700000000, 0.0053485700000000, -0.0079201300000000 ] - [ -0.0012441700000000, 0.0000000000000000, 0.0016651400000000 ] - [ -0.0156171700000000, -0.0053485700000000, -0.0079201300000000 ] - [ 0.0057098600000000, 0.0000000000000000, -0.0008487300000000 ] - [ 0.0001323700000000, 0.0008620400000000, 0.0018814500000000 ] - [ 0.0001323700000000, -0.0008620400000000, 0.0018814500000000 ] - [ -0.0014628100000000, 0.0000000000000000, 0.0002856200000000 ] - [ -0.0005960500000000, -0.0004531100000000, 0.0009048700000000 ] - [ -0.0005960500000000, 0.0004531100000000, 0.0009048700000000 ] - [ 0.0006146900000000, 0.0000000000000000, -0.0006845400000000 ] - [ 0.0004986800000000, -0.0000748700000000, -0.0003777900000000 ] - [ 0.0004986800000000, 0.0000748700000000, -0.0003777900000000 ] - [ 0.0040022600000000, 0.0000000000000000, 0.0144239100000000 ] - [ 0.0008125200000000, 0.0002373200000000, 0.0023323600000000 ] - [ 0.0008125200000000, -0.0002373200000000, 0.0023323600000000 ] - [ -0.0008145300000000, 0.0000000000000000, -0.0027635900000000 ] - [ -0.0004811100000000, -0.0000218800000000, -0.0022224600000000 ] - [ -0.0004811100000000, 0.0000218800000000, -0.0022224600000000 ] - [ -0.0017658100000000, 0.0000000000000000, -0.0039094500000000 ] - [ -0.0009889400000000, 0.0000323900000000, -0.0026106400000000 ] - [ -0.0009889400000000, -0.0000323900000000, -0.0026106400000000 ] - [ 0.0001806800000000, -0.0060541000000000, -0.0100080100000000 ] - [ -0.0005533500000000, 0.0000000000000000, -0.0002419100000000 ] - [ 0.0001806800000000, 0.0060541000000000, -0.0100080100000000 ] - [ 0.0010405200000000, 0.0000275400000000, -0.0029353800000000 ] - [ 0.0008414800000000, 0.0000000000000000, -0.0026001500000000 ] - [ 0.0010405200000000, -0.0000275400000000, -0.0029353800000000 ] - [ 0.0037240900000000, 0.0032803600000000, -0.0094721000000000 ] - [ 0.0001031700000000, 0.0000000000000000, -0.0006775000000000 ] - [ 0.0037240900000000, -0.0032803600000000, -0.0094721000000000 ] - [ 0.0010477500000000, -0.0002812100000000, 0.0033164200000000 ] - [ 0.0005605500000000, 0.0000000000000000, 0.0024721200000000 ] - [ 0.0010477500000000, 0.0002812100000000, 0.0033164200000000 ] - [ -0.0003150700000000, -0.0000511700000000, -0.0001126900000000 ] - [ -0.0002600600000000, 0.0000000000000000, 0.0000724100000000 ] - [ -0.0003150700000000, 0.0000511700000000, -0.0001126900000000 ] - [ -0.0002040400000000, 0.0001088100000000, 0.0000827000000000 ] - [ -0.0001810700000000, 0.0000000000000000, 0.0004744000000000 ] - [ -0.0002040400000000, -0.0001088100000000, 0.0000827000000000 ] - [ 0.0016179500000000, 0.0000000000000000, -0.0014857300000000 ] - [ -0.0000618900000000, 0.0010070700000000, -0.0008157800000000 ] - [ -0.0000618900000000, -0.0010070700000000, -0.0008157800000000 ] - [ 0.0000597700000000, 0.0000000000000000, 0.0036149700000000 ] - [ 0.0000014700000000, 0.0001360000000000, 0.0031783200000000 ] - [ 0.0000014700000000, -0.0001360000000000, 0.0031783200000000 ] - [ -0.0023679300000000, 0.0000000000000000, 0.0014779900000000 ] - [ -0.0010315100000000, -0.0008318000000000, -0.0000349900000000 ] - [ -0.0010315100000000, 0.0008318000000000, -0.0000349900000000 ] - [ 0.0144411200000000, 0.0000000000000000, -0.0252802900000000 ] - [ 0.0003474600000000, 0.0042402000000000, -0.0068738300000000 ] - [ 0.0003474600000000, -0.0042402000000000, -0.0068738300000000 ] - [ -0.0020238100000000, 0.0000000000000000, 0.0032942300000000 ] - [ -0.0016854500000000, 0.0002528400000000, 0.0021979300000000 ] - [ -0.0016854500000000, -0.0002528400000000, 0.0021979300000000 ] - [ 0.0012413400000000, 0.0000000000000000, 0.0046534100000000 ] - [ -0.0002189300000000, -0.0026534200000000, 0.0018454900000000 ] - [ -0.0002189300000000, 0.0026534200000000, 0.0018454900000000 ] - [ -0.0052622600000000, 0.0154276500000000, -0.0306225600000000 ] - [ -0.0003788100000000, 0.0000000000000000, -0.0042479900000000 ] - [ -0.0052622600000000, -0.0154276500000000, -0.0306225600000000 ] - [ 0.0004088200000000, 0.0026940000000000, 0.0066226000000000 ] - [ 0.0008933200000000, 0.0000000000000000, -0.0009174600000000 ] - [ 0.0004088200000000, -0.0026940000000000, 0.0066226000000000 ] - [ 0.0016401100000000, -0.0007163300000000, 0.0032054400000000 ] - [ 0.0014173400000000, 0.0000000000000000, 0.0024282100000000 ] - [ 0.0016401100000000, 0.0007163300000000, 0.0032054400000000 ] - [ 0.0019272600000000, -0.0009406000000000, -0.0038273500000000 ] - [ 0.0014432100000000, 0.0000000000000000, -0.0016965800000000 ] - [ 0.0019272600000000, 0.0009406000000000, -0.0038273500000000 ] - [ 0.0003393800000000, 0.0005246800000000, 0.0022757700000000 ] - [ 0.0002858300000000, 0.0000000000000000, 0.0019774600000000 ] - [ 0.0003393800000000, -0.0005246800000000, 0.0022757700000000 ] - [ -0.0002817400000000, -0.0002343200000000, 0.0029816400000000 ] - [ 0.0000936600000000, 0.0000000000000000, 0.0021891300000000 ] - [ -0.0002817400000000, 0.0002343200000000, 0.0029816400000000 ] - [ -0.0019199500000000, 0.0000000000000000, -0.0170989300000000 ] - [ -0.0009284500000000, -0.0006884000000000, -0.0047429200000000 ] - [ -0.0009284500000000, 0.0006884000000000, -0.0047429200000000 ] - [ 0.0019079800000000, 0.0000000000000000, 0.0019983700000000 ] - [ 0.0009752900000000, 0.0006062400000000, 0.0007454300000000 ] - [ 0.0009752900000000, -0.0006062400000000, 0.0007454300000000 ] - [ -0.0014697800000000, 0.0000000000000000, 0.0021667700000000 ] - [ -0.0009342300000000, -0.0005199500000000, 0.0015738500000000 ] - [ -0.0009342300000000, 0.0005199500000000, 0.0015738500000000 ] - [ 0.0041379600000000, 0.0000000000000000, -0.0097877800000000 ] - [ 0.0021761500000000, -0.0016764500000000, -0.0026650800000000 ] - [ 0.0021761500000000, 0.0016764500000000, -0.0026650800000000 ] - [ -0.0019586100000000, 0.0000000000000000, 0.0031480000000000 ] - [ -0.0012404800000000, 0.0019940200000000, 0.0018569600000000 ] - [ -0.0012404800000000, -0.0019940200000000, 0.0018569600000000 ] - [ 0.0010527800000000, 0.0000000000000000, 0.0037087100000000 ] - [ 0.0005647000000000, -0.0000663000000000, 0.0024830800000000 ] - [ 0.0005647000000000, 0.0000663000000000, 0.0024830800000000 ] - [ 0.0005190200000000, 0.0011017900000000, -0.0179558900000000 ] - [ -0.0012105900000000, 0.0000000000000000, -0.0041820500000000 ] - [ 0.0005190200000000, -0.0011017900000000, -0.0179558900000000 ] - [ 0.0000994400000000, 0.0003939300000000, 0.0032006700000000 ] - [ 0.0001019900000000, 0.0000000000000000, 0.0026634100000000 ] - [ 0.0000994400000000, -0.0003939300000000, 0.0032006700000000 ] - [ -0.0027710000000000, -0.0018691900000000, 0.0073549300000000 ] - [ -0.0005957300000000, 0.0000000000000000, 0.0006510800000000 ] - [ -0.0027710000000000, 0.0018691900000000, 0.0073549300000000 ] - [ -0.0031043000000000, 0.0013304300000000, -0.0014913000000000 ] - [ -0.0006869700000000, 0.0000000000000000, -0.0016793700000000 ] - [ -0.0031043000000000, -0.0013304300000000, -0.0014913000000000 ] - [ 0.0001437900000000, -0.0000284200000000, 0.0015092100000000 ] - [ 0.0000881000000000, 0.0000000000000000, 0.0012328200000000 ] - [ 0.0001437900000000, 0.0000284200000000, 0.0015092100000000 ] - [ 0.0026941400000000, -0.0002752400000000, -0.0002877000000000 ] - [ 0.0007938000000000, 0.0000000000000000, -0.0002990600000000 ] - [ 0.0026941400000000, 0.0002752400000000, -0.0002877000000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0103270700000000, 0.0000000000000000, -0.0051861400000000 ] - [ 0.0006300900000000, -0.0012751100000000, 0.0003098200000000 ] - [ 0.0006300900000000, 0.0012751100000000, 0.0003098200000000 ] - [ 0.0000925700000000, 0.0000000000000000, -0.0001896900000000 ] - [ 0.0000185200000000, -0.0000876400000000, -0.0000702900000000 ] - [ 0.0000185200000000, 0.0000876400000000, -0.0000702900000000 ] - [ -0.0005998200000000, 0.0000000000000000, 0.0019003400000000 ] - [ -0.0004467700000000, -0.0004025400000000, 0.0010311600000000 ] - [ -0.0004467700000000, 0.0004025400000000, 0.0010311600000000 ] - [ 0.0150544900000000, 0.0000000000000000, 0.0035830900000000 ] - [ 0.0006588700000000, 0.0013639600000000, 0.0003861300000000 ] - [ 0.0006588700000000, -0.0013639600000000, 0.0003861300000000 ] - [ -0.0013091400000000, 0.0000000000000000, -0.0012539400000000 ] - [ -0.0006239700000000, 0.0000052300000000, -0.0009189900000000 ] - [ -0.0006239700000000, -0.0000052300000000, -0.0009189900000000 ] - [ 0.0006364000000000, 0.0000000000000000, -0.0022060900000000 ] - [ 0.0002920500000000, 0.0006485600000000, -0.0014291800000000 ] - [ 0.0002920500000000, -0.0006485600000000, -0.0014291800000000 ] - [ -0.0052191700000000, -0.0056086300000000, -0.0006577800000000 ] - [ -0.0007381900000000, 0.0000000000000000, 0.0001252300000000 ] - [ -0.0052191700000000, 0.0056086300000000, -0.0006577800000000 ] - [ -0.0000860800000000, 0.0000093300000000, -0.0014825800000000 ] - [ -0.0000563700000000, 0.0000000000000000, -0.0012818900000000 ] - [ -0.0000860800000000, -0.0000093300000000, -0.0014825800000000 ] - [ -0.0040415800000000, 0.0074696500000000, -0.0041700900000000 ] - [ -0.0004696200000000, 0.0000000000000000, -0.0005376000000000 ] - [ -0.0040415800000000, -0.0074696500000000, -0.0041700900000000 ] - [ 0.0004213500000000, -0.0001020000000000, 0.0002265400000000 ] - [ 0.0001923100000000, 0.0000000000000000, 0.0002489800000000 ] - [ 0.0004213500000000, 0.0001020000000000, 0.0002265400000000 ] - [ 0.0003646000000000, 0.0000247200000000, 0.0001158000000000 ] - [ 0.0003083100000000, 0.0000000000000000, 0.0001706500000000 ] - [ 0.0003646000000000, -0.0000247200000000, 0.0001158000000000 ] - [ 0.0022566900000000, 0.0001191900000000, 0.0014881900000000 ] - [ 0.0008457500000000, 0.0000000000000000, 0.0010019400000000 ] - [ 0.0022566900000000, -0.0001191900000000, 0.0014881900000000 ] - [ -0.0635257500000000, 0.0000000000000000, 0.0752980700000000 ] - [ -0.0008812900000000, -0.0001085000000000, 0.0020138100000000 ] - [ -0.0008812900000000, 0.0001085000000000, 0.0020138100000000 ] - [ 0.0003454900000000, 0.0000000000000000, 0.0002889800000000 ] - [ 0.0001303400000000, -0.0000046400000000, 0.0006625400000000 ] - [ 0.0001303400000000, 0.0000046400000000, 0.0006625400000000 ] - [ 0.0003484500000000, 0.0000000000000000, 0.0004709500000000 ] - [ 0.0001313500000000, -0.0000028100000000, 0.0006872100000000 ] - [ 0.0001313500000000, 0.0000028100000000, 0.0006872100000000 ] - [ 0.0002019400000000, 0.0000000000000000, -0.0004204700000000 ] - [ 0.0001774300000000, -0.0000215500000000, -0.0007244600000000 ] - [ 0.0001774300000000, 0.0000215500000000, -0.0007244600000000 ] - [ -0.0001001400000000, 0.0000000000000000, -0.0012119100000000 ] - [ -0.0001021700000000, -0.0000062800000000, -0.0011791700000000 ] - [ -0.0001021700000000, 0.0000062800000000, -0.0011791700000000 ] - [ 0.0001746700000000, 0.0000000000000000, -0.0008035600000000 ] - [ 0.0000883700000000, 0.0000288000000000, -0.0008790800000000 ] - [ 0.0000883700000000, -0.0000288000000000, -0.0008790800000000 ] - [ 0.0003597000000000, 0.0000277200000000, -0.0015130600000000 ] - [ 0.0001873400000000, 0.0000000000000000, -0.0012225100000000 ] - [ 0.0003597000000000, -0.0000277200000000, -0.0015130600000000 ] - [ 0.0000265400000000, 0.0000229300000000, -0.0011381700000000 ] - [ 0.0000421000000000, 0.0000000000000000, -0.0011258400000000 ] - [ 0.0000265400000000, -0.0000229300000000, -0.0011381700000000 ] - [ 0.0009071400000000, -0.0011189500000000, 0.0001745300000000 ] - [ -0.0001042200000000, 0.0000000000000000, -0.0006157400000000 ] - [ 0.0009071400000000, 0.0011189500000000, 0.0001745300000000 ] - [ 0.0004303500000000, -0.0000731400000000, 0.0018697600000000 ] - [ 0.0001427800000000, 0.0000000000000000, 0.0012730900000000 ] - [ 0.0004303500000000, 0.0000731400000000, 0.0018697600000000 ] - [ -0.0001354800000000, -0.0000010400000000, 0.0006542100000000 ] - [ -0.0001044100000000, 0.0000000000000000, 0.0007021900000000 ] - [ -0.0001354800000000, 0.0000010400000000, 0.0006542100000000 ] - [ 0.0004315300000000, 0.0002532100000000, 0.0009746500000000 ] - [ 0.0001435000000000, 0.0000000000000000, 0.0010583600000000 ] - [ 0.0004315300000000, -0.0002532100000000, 0.0009746500000000 ] - [ 0.0023493200000000, 0.0000000000000000, 0.0044334300000000 ] - [ 0.0000684300000000, 0.0013978700000000, 0.0020015000000000 ] - [ 0.0000684300000000, -0.0013978700000000, 0.0020015000000000 ] - [ -0.0004271500000000, 0.0000000000000000, 0.0017405400000000 ] - [ -0.0004249900000000, -0.0000435000000000, 0.0014628800000000 ] - [ -0.0004249900000000, 0.0000435000000000, 0.0014628800000000 ] - [ -0.0010317200000000, 0.0000000000000000, 0.0181055000000000 ] - [ -0.0005024400000000, -0.0015659100000000, -0.0002590700000000 ] - [ -0.0005024400000000, 0.0015659100000000, -0.0002590700000000 ] - [ -0.0015979500000000, 0.0000000000000000, -0.0008942000000000 ] - [ -0.0011011500000000, 0.0001289200000000, -0.0006925900000000 ] - [ -0.0011011500000000, -0.0001289200000000, -0.0006925900000000 ] - [ -0.0008229200000000, 0.0000000000000000, -0.0003619600000000 ] - [ -0.0008033600000000, 0.0000028000000000, -0.0004215700000000 ] - [ -0.0008033600000000, -0.0000028000000000, -0.0004215700000000 ] - [ -0.0010067600000000, 0.0000000000000000, -0.0012327100000000 ] - [ -0.0008311000000000, 0.0000570200000000, -0.0010773400000000 ] - [ -0.0008311000000000, -0.0000570200000000, -0.0010773400000000 ] - [ -0.0017695100000000, 0.0013873200000000, -0.0013577900000000 ] - [ 0.0001920600000000, 0.0000000000000000, -0.0014888700000000 ] - [ -0.0017695100000000, -0.0013873200000000, -0.0013577900000000 ] - [ 0.0004903600000000, 0.0000402100000000, -0.0002360000000000 ] - [ 0.0006324400000000, 0.0000000000000000, -0.0004542400000000 ] - [ 0.0004903600000000, -0.0000402100000000, -0.0002360000000000 ] - [ 0.0006594400000000, 0.0000043300000000, -0.0008527000000000 ] - [ 0.0006811900000000, 0.0000000000000000, -0.0007976700000000 ] - [ 0.0006594400000000, -0.0000043300000000, -0.0008527000000000 ] - [ 0.0010955200000000, -0.0021081800000000, -0.0022029500000000 ] - [ 0.0012538100000000, 0.0000000000000000, -0.0002053900000000 ] - [ 0.0010955200000000, 0.0021081800000000, -0.0022029500000000 ] - [ 0.0006167200000000, 0.0001420400000000, 0.0014056200000000 ] - [ 0.0006195500000000, 0.0000000000000000, 0.0013176600000000 ] - [ 0.0006167200000000, -0.0001420400000000, 0.0014056200000000 ] - [ -0.0005944100000000, -0.0009102700000000, 0.0024155700000000 ] - [ 0.0004598300000000, 0.0000000000000000, 0.0009380600000000 ] - [ -0.0005944100000000, 0.0009102700000000, 0.0024155700000000 ] - [ 0.0547916100000000, 0.0000000000000000, -0.0845806200000000 ] - [ 0.0006412300000000, 0.0011995200000000, -0.0010072800000000 ] - [ 0.0006412300000000, -0.0011995200000000, -0.0010072800000000 ] - [ -0.0001229600000000, 0.0000000000000000, 0.0005309600000000 ] - [ -0.0000020600000000, 0.0000192100000000, 0.0002085200000000 ] - [ -0.0000020600000000, -0.0000192100000000, 0.0002085200000000 ] - [ 0.0016178700000000, 0.0000000000000000, 0.0010792000000000 ] - [ 0.0007987200000000, -0.0006983000000000, 0.0003610100000000 ] - [ 0.0007987200000000, 0.0006983000000000, 0.0003610100000000 ] - [ -0.0018028100000000, 0.0000000000000000, -0.0004248000000000 ] - [ -0.0006877400000000, -0.0000323800000000, -0.0000866100000000 ] - [ -0.0006877400000000, 0.0000323800000000, -0.0000866100000000 ] - [ 0.0002474000000000, 0.0000000000000000, 0.0004992900000000 ] - [ 0.0000693300000000, 0.0000143900000000, 0.0004967600000000 ] - [ 0.0000693300000000, -0.0000143900000000, 0.0004967600000000 ] - [ -0.0004329900000000, 0.0000000000000000, 0.0003596700000000 ] - [ -0.0002877300000000, -0.0000627800000000, 0.0003444700000000 ] - [ -0.0002877300000000, 0.0000627800000000, 0.0003444700000000 ] - [ -0.0008446700000000, 0.0008423600000000, 0.0008688400000000 ] - [ -0.0000930300000000, 0.0000000000000000, 0.0005052700000000 ] - [ -0.0008446700000000, -0.0008423600000000, 0.0008688400000000 ] - [ 0.0000384200000000, 0.0000046400000000, 0.0006132900000000 ] - [ 0.0000279200000000, 0.0000000000000000, 0.0005687800000000 ] - [ 0.0000384200000000, -0.0000046400000000, 0.0006132900000000 ] - [ 0.0008626900000000, 0.0006955300000000, -0.0016123400000000 ] - [ 0.0004260400000000, 0.0000000000000000, -0.0001227900000000 ] - [ 0.0008626900000000, -0.0006955300000000, -0.0016123400000000 ] - [ -0.0001628400000000, 0.0001146500000000, -0.0009644900000000 ] - [ -0.0000038000000000, 0.0000000000000000, -0.0004720100000000 ] - [ -0.0001628400000000, -0.0001146500000000, -0.0009644900000000 ] - [ -0.0001969900000000, -0.0000685100000000, 0.0002642300000000 ] - [ -0.0001904700000000, 0.0000000000000000, 0.0001927300000000 ] - [ -0.0001969900000000, 0.0000685100000000, 0.0002642300000000 ] - [ -0.0015700800000000, -0.0008665100000000, -0.0005318200000000 ] - [ -0.0005023600000000, 0.0000000000000000, -0.0004456000000000 ] - [ -0.0015700800000000, 0.0008665100000000, -0.0005318200000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0103009100000000, 0.0000000000000000, 0.0062825200000000 ] - [ -0.0006893700000000, 0.0012640100000000, 0.0006771600000000 ] - [ -0.0006893700000000, -0.0012640100000000, 0.0006771600000000 ] - [ -0.0001678200000000, 0.0000000000000000, 0.0011395900000000 ] - [ -0.0000953600000000, 0.0000844000000000, 0.0010256700000000 ] - [ -0.0000953600000000, -0.0000844000000000, 0.0010256700000000 ] - [ 0.0005027400000000, 0.0000000000000000, -0.0009445900000000 ] - [ 0.0003620500000000, 0.0004100400000000, -0.0000658800000000 ] - [ 0.0003620500000000, -0.0004100400000000, -0.0000658800000000 ] - [ -0.0149181100000000, 0.0000000000000000, -0.0045002500000000 ] - [ -0.0007338200000000, -0.0013600400000000, -0.0013349400000000 ] - [ -0.0007338200000000, 0.0013600400000000, -0.0013349400000000 ] - [ 0.0012224700000000, 0.0000000000000000, 0.0002760800000000 ] - [ 0.0005417100000000, -0.0000045800000000, -0.0000557300000000 ] - [ 0.0005417100000000, 0.0000045800000000, -0.0000557300000000 ] - [ -0.0007057300000000, 0.0000000000000000, 0.0012204900000000 ] - [ -0.0003663900000000, -0.0006410300000000, 0.0004513500000000 ] - [ -0.0003663900000000, 0.0006410300000000, 0.0004513500000000 ] - [ 0.0051920000000000, 0.0054983000000000, -0.0003997700000000 ] - [ 0.0008044300000000, 0.0000000000000000, -0.0010889000000000 ] - [ 0.0051920000000000, -0.0054983000000000, -0.0003997700000000 ] - [ 0.0001619000000000, -0.0000086400000000, 0.0005007400000000 ] - [ 0.0001323100000000, 0.0000000000000000, 0.0003032600000000 ] - [ 0.0001619000000000, 0.0000086400000000, 0.0005007400000000 ] - [ 0.0040915600000000, -0.0073811400000000, 0.0031826600000000 ] - [ 0.0005460200000000, 0.0000000000000000, -0.0004244300000000 ] - [ 0.0040915600000000, 0.0073811400000000, 0.0031826600000000 ] - [ -0.0003356300000000, 0.0000985100000000, 0.0007355200000000 ] - [ -0.0001142800000000, 0.0000000000000000, 0.0007132200000000 ] - [ -0.0003356300000000, -0.0000985100000000, 0.0007355200000000 ] - [ -0.0002873400000000, -0.0000228400000000, 0.0008429500000000 ] - [ -0.0002317400000000, 0.0000000000000000, 0.0007876600000000 ] - [ -0.0002873400000000, 0.0000228400000000, 0.0008429500000000 ] - [ -0.0021749200000000, -0.0001150900000000, -0.0005109800000000 ] - [ -0.0007667400000000, 0.0000000000000000, -0.0000239500000000 ] - [ -0.0021749200000000, 0.0001150900000000, -0.0005109800000000 ] - [ 0.0619679000000000, 0.0000000000000000, -0.0752378400000000 ] - [ 0.0007752800000000, 0.0001037700000000, 0.0000017300000000 ] - [ 0.0007752800000000, -0.0001037700000000, 0.0000017300000000 ] - [ -0.0004426200000000, 0.0000000000000000, 0.0017018500000000 ] - [ -0.0002273300000000, 0.0000040300000000, 0.0013335600000000 ] - [ -0.0002273300000000, -0.0000040300000000, 0.0013335600000000 ] - [ -0.0004393100000000, 0.0000000000000000, 0.0015209500000000 ] - [ -0.0002263900000000, 0.0000023800000000, 0.0013073300000000 ] - [ -0.0002263900000000, -0.0000023800000000, 0.0013073300000000 ] - [ -0.0002973500000000, 0.0000000000000000, -0.0015722500000000 ] - [ -0.0002732200000000, 0.0000216200000000, -0.0012704700000000 ] - [ -0.0002732200000000, -0.0000216200000000, -0.0012704700000000 ] - [ 0.0000011100000000, 0.0000000000000000, -0.0007911300000000 ] - [ 0.0000027600000000, 0.0000060800000000, -0.0008246400000000 ] - [ 0.0000027600000000, -0.0000060800000000, -0.0008246400000000 ] - [ -0.0002735600000000, 0.0000000000000000, -0.0011996500000000 ] - [ -0.0001867000000000, -0.0000284300000000, -0.0011220600000000 ] - [ -0.0001867000000000, 0.0000284300000000, -0.0011220600000000 ] - [ -0.0002576700000000, -0.0000198100000000, -0.0005015600000000 ] - [ -0.0000865200000000, 0.0000000000000000, -0.0007829200000000 ] - [ -0.0002576700000000, 0.0000198100000000, -0.0005015600000000 ] - [ 0.0000735600000000, -0.0000225600000000, -0.0008677700000000 ] - [ 0.0000572700000000, 0.0000000000000000, -0.0008775000000000 ] - [ 0.0000735600000000, 0.0000225600000000, -0.0008677700000000 ] - [ -0.0008191800000000, 0.0011327600000000, -0.0021672900000000 ] - [ 0.0002001100000000, 0.0000000000000000, -0.0013778200000000 ] - [ -0.0008191800000000, -0.0011327600000000, -0.0021672900000000 ] - [ -0.0003300300000000, 0.0000733300000000, 0.0001348000000000 ] - [ -0.0000445300000000, 0.0000000000000000, 0.0007287800000000 ] - [ -0.0003300300000000, -0.0000733300000000, 0.0001348000000000 ] - [ 0.0002307800000000, 0.0000009800000000, 0.0013390600000000 ] - [ 0.0002007400000000, 0.0000000000000000, 0.0012938900000000 ] - [ 0.0002307800000000, -0.0000009800000000, 0.0013390600000000 ] - [ -0.0003287400000000, -0.0002514600000000, 0.0010282100000000 ] - [ -0.0000435800000000, 0.0000000000000000, 0.0009441800000000 ] - [ -0.0003287400000000, 0.0002514600000000, 0.0010282100000000 ] - [ -0.0035984100000000, 0.0000000000000000, -0.0028554600000000 ] - [ -0.0013391500000000, -0.0013862800000000, -0.0004228600000000 ] - [ -0.0013391500000000, 0.0013862800000000, -0.0004228600000000 ] - [ -0.0008480100000000, 0.0000000000000000, -0.0001570800000000 ] - [ -0.0008490400000000, 0.0000432300000000, 0.0001155900000000 ] - [ -0.0008490400000000, -0.0000432300000000, 0.0001155900000000 ] - [ -0.0001387500000000, 0.0000000000000000, -0.0161921600000000 ] - [ -0.0007759200000000, 0.0015497900000000, 0.0018091200000000 ] - [ -0.0007759200000000, -0.0015497900000000, 0.0018091200000000 ] - [ 0.0003074700000000, 0.0000000000000000, -0.0006726100000000 ] - [ -0.0001806300000000, -0.0001262900000000, -0.0008782600000000 ] - [ -0.0001806300000000, 0.0001262900000000, -0.0008782600000000 ] - [ -0.0004564500000000, 0.0000000000000000, -0.0011974000000000 ] - [ -0.0004756000000000, -0.0000027900000000, -0.0011389900000000 ] - [ -0.0004756000000000, 0.0000027900000000, -0.0011389900000000 ] - [ -0.0002640000000000, 0.0000000000000000, -0.0003403300000000 ] - [ -0.0004421100000000, -0.0000597300000000, -0.0004958600000000 ] - [ -0.0004421100000000, 0.0000597300000000, -0.0004958600000000 ] - [ 0.0030439200000000, -0.0013848500000000, -0.0002422600000000 ] - [ 0.0010777800000000, 0.0000000000000000, -0.0000925300000000 ] - [ 0.0030439200000000, 0.0013848500000000, -0.0002422600000000 ] - [ 0.0007806800000000, -0.0000397100000000, -0.0013169800000000 ] - [ 0.0006441700000000, 0.0000000000000000, -0.0011087800000000 ] - [ 0.0007806800000000, 0.0000397100000000, -0.0013169800000000 ] - [ 0.0006210700000000, -0.0000071900000000, -0.0007085500000000 ] - [ 0.0005978200000000, 0.0000000000000000, -0.0007649100000000 ] - [ 0.0006210700000000, 0.0000071900000000, -0.0007085500000000 ] - [ 0.0002285700000000, 0.0021066700000000, 0.0037399600000000 ] - [ 0.0000284200000000, 0.0000000000000000, 0.0017622600000000 ] - [ 0.0002285700000000, -0.0021066700000000, 0.0037399600000000 ] - [ 0.0006583100000000, -0.0001409800000000, 0.0001712500000000 ] - [ 0.0006557400000000, 0.0000000000000000, 0.0002590100000000 ] - [ 0.0006583100000000, 0.0001409800000000, 0.0001712500000000 ] - [ 0.0018565400000000, 0.0009013400000000, -0.0008320900000000 ] - [ 0.0008139000000000, 0.0000000000000000, 0.0006307200000000 ] - [ 0.0018565400000000, -0.0009013400000000, -0.0008320900000000 ] - [ -0.0534522900000000, 0.0000000000000000, 0.0856096800000000 ] - [ -0.0005700900000000, -0.0011809200000000, 0.0004093500000000 ] - [ -0.0005700900000000, 0.0011809200000000, 0.0004093500000000 ] - [ 0.0001925800000000, 0.0000000000000000, -0.0011065600000000 ] - [ 0.0000716300000000, -0.0000183800000000, -0.0007882600000000 ] - [ 0.0000716300000000, 0.0000183800000000, -0.0007882600000000 ] - [ -0.0015333100000000, 0.0000000000000000, -0.0016414000000000 ] - [ -0.0007251200000000, 0.0006884000000000, -0.0009388300000000 ] - [ -0.0007251200000000, -0.0006884000000000, -0.0009388300000000 ] - [ 0.0018567100000000, 0.0000000000000000, 0.0010005600000000 ] - [ 0.0007552900000000, 0.0000312100000000, 0.0006662300000000 ] - [ 0.0007552900000000, -0.0000312100000000, 0.0006662300000000 ] - [ -0.0001775400000000, 0.0000000000000000, 0.0000916300000000 ] - [ 0.0000003800000000, -0.0000140400000000, 0.0000948400000000 ] - [ 0.0000003800000000, 0.0000140400000000, 0.0000948400000000 ] - [ 0.0005008500000000, 0.0000000000000000, 0.0002329200000000 ] - [ 0.0003561400000000, 0.0000621300000000, 0.0002462100000000 ] - [ 0.0003561400000000, -0.0000621300000000, 0.0002462100000000 ] - [ 0.0007376800000000, -0.0007972800000000, -0.0002444600000000 ] - [ 0.0000204300000000, 0.0000000000000000, 0.0000833800000000 ] - [ 0.0007376800000000, 0.0007972800000000, -0.0002444600000000 ] - [ -0.0001079500000000, -0.0000045500000000, -0.0000171400000000 ] - [ -0.0000966300000000, 0.0000000000000000, 0.0000245300000000 ] - [ -0.0001079500000000, 0.0000045500000000, -0.0000171400000000 ] - [ -0.0009194600000000, -0.0007103600000000, 0.0022008300000000 ] - [ -0.0004923900000000, 0.0000000000000000, 0.0007037600000000 ] - [ -0.0009194600000000, 0.0007103600000000, 0.0022008300000000 ] - [ 0.0000929900000000, -0.0001140400000000, 0.0003745100000000 ] - [ -0.0000653100000000, 0.0000000000000000, -0.0001169300000000 ] - [ 0.0000929900000000, 0.0001140400000000, 0.0003745100000000 ] - [ 0.0001274000000000, 0.0000677100000000, -0.0008434000000000 ] - [ 0.0001201400000000, 0.0000000000000000, -0.0007741000000000 ] - [ 0.0001274000000000, -0.0000677100000000, -0.0008434000000000 ] - [ 0.0014916300000000, 0.0008589400000000, -0.0000611800000000 ] - [ 0.0004314900000000, 0.0000000000000000, -0.0001463600000000 ] - [ 0.0014916300000000, -0.0008589400000000, -0.0000611800000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000180500000000, 0.0003573100000000, 0.0004807300000000 ] - [ -0.0005008100000000, 0.0002360700000000, 0.0013497000000000 ] - [ 0.0003996200000000, 0.0002406200000000, -0.0003777100000000 ] - [ -0.0000411100000000, 0.0001431200000000, 0.0004808300000000 ] - [ -0.0000292000000000, -0.0000737900000000, 0.0004073600000000 ] - [ -0.0000550100000000, -0.0000722800000000, 0.0005565400000000 ] - [ -0.0000408600000000, -0.0011883900000000, 0.0004837900000000 ] - [ -0.0002436800000000, 0.0006017800000000, 0.0000284300000000 ] - [ 0.0001593700000000, 0.0006045500000000, 0.0009362300000000 ] - [ -0.0000760900000000, -0.0029060800000000, -0.0004797100000000 ] - [ 0.0007168300000000, 0.0009121400000000, -0.0007208800000000 ] - [ -0.0007866900000000, 0.0009159100000000, -0.0002449800000000 ] - [ -0.0000439300000000, -0.0001521600000000, -0.0004848600000000 ] - [ -0.0001687200000000, 0.0000835100000000, -0.0004590600000000 ] - [ 0.0000910000000000, 0.0000845000000000, -0.0005040500000000 ] - [ -0.0000419200000000, -0.0000316100000000, -0.0004818000000000 ] - [ -0.0000444100000000, 0.0000181900000000, -0.0005149000000000 ] - [ -0.0000375000000000, 0.0000200400000000, -0.0004511100000000 ] - [ -0.0009422000000000, 0.0002832200000000, 0.0056425800000000 ] - [ 0.0000429500000000, 0.0008202900000000, -0.0004764100000000 ] - [ 0.0010286200000000, 0.0003441700000000, -0.0065554800000000 ] - [ 0.0000315300000000, 0.0000102500000000, -0.0005103400000000 ] - [ 0.0000411900000000, -0.0000225600000000, -0.0004823200000000 ] - [ 0.0000526200000000, 0.0000126800000000, -0.0004552100000000 ] - [ 0.0015393400000000, 0.0000720600000000, -0.0037464400000000 ] - [ 0.0000404000000000, 0.0009981300000000, -0.0004865100000000 ] - [ -0.0014522400000000, 0.0001056000000000, 0.0027620700000000 ] - [ 0.0002832200000000, -0.0000480200000000, 0.0005897900000000 ] - [ 0.0000417300000000, 0.0000939000000000, 0.0004814600000000 ] - [ -0.0001973200000000, -0.0000409500000000, 0.0003704300000000 ] - [ 0.0000044500000000, -0.0000118900000000, 0.0004322400000000 ] - [ 0.0000407100000000, 0.0000235900000000, 0.0004828700000000 ] - [ 0.0000777900000000, -0.0000118000000000, 0.0005345900000000 ] - [ -0.0003981700000000, -0.0001982900000000, 0.0002020400000000 ] - [ 0.0000402200000000, 0.0003721900000000, 0.0004831100000000 ] - [ 0.0004840300000000, -0.0001949900000000, 0.0007656700000000 ] - [ -0.0005896400000000, -0.0335311100000000, 0.0024389900000000 ] - [ 0.0000583100000000, 0.0009187400000000, 0.0008456200000000 ] - [ -0.0001539700000000, 0.0009067900000000, 0.0011500900000000 ] - [ -0.0000486400000000, 0.0000357200000000, 0.0009978500000000 ] - [ -0.0000475000000000, 0.0000030300000000, 0.0009663900000000 ] - [ -0.0000527300000000, 0.0000036200000000, 0.0010365000000000 ] - [ -0.0000496900000000, 0.0000357200000000, 0.0010008100000000 ] - [ -0.0000444600000000, 0.0000032700000000, 0.0009601600000000 ] - [ -0.0000530800000000, 0.0000033800000000, 0.0010383500000000 ] - [ -0.0000483200000000, -0.0000917900000000, -0.0009997900000000 ] - [ -0.0000273200000000, 0.0000398300000000, -0.0009293900000000 ] - [ -0.0000701500000000, 0.0000401000000000, -0.0010686800000000 ] - [ -0.0000491300000000, 0.0000146600000000, -0.0009994000000000 ] - [ -0.0000429400000000, -0.0000066400000000, -0.0009965000000000 ] - [ -0.0000553800000000, -0.0000065600000000, -0.0010028300000000 ] - [ -0.0000495100000000, -0.0000044500000000, -0.0010007600000000 ] - [ -0.0000778600000000, 0.0000021800000000, -0.0010515300000000 ] - [ -0.0000208800000000, 0.0000022700000000, -0.0009494000000000 ] - [ 0.0000722000000000, 0.0005011300000000, -0.0013536800000000 ] - [ 0.0000492400000000, -0.0000825900000000, -0.0009998700000000 ] - [ 0.0000245600000000, 0.0005004000000000, -0.0006447900000000 ] - [ 0.0000721700000000, -0.0000018800000000, -0.0010355100000000 ] - [ 0.0000491900000000, 0.0000018500000000, -0.0009995500000000 ] - [ 0.0000268800000000, -0.0000018000000000, -0.0009650200000000 ] - [ -0.0010803300000000, 0.0003307000000000, -0.0012397700000000 ] - [ 0.0000484600000000, 0.0001104700000000, -0.0009995800000000 ] - [ 0.0011715100000000, 0.0003368900000000, -0.0007602900000000 ] - [ 0.0003026300000000, -0.0000543700000000, 0.0015537600000000 ] - [ 0.0000499900000000, 0.0000288900000000, 0.0010008200000000 ] - [ -0.0002022400000000, -0.0000545700000000, 0.0004496500000000 ] - [ 0.0000478800000000, 0.0000003000000000, 0.0009946000000000 ] - [ 0.0000494300000000, 0.0000006200000000, 0.0010002000000000 ] - [ 0.0000500100000000, 0.0000003400000000, 0.0010032800000000 ] - [ -0.0000242200000000, -0.0000550800000000, 0.0010058100000000 ] - [ 0.0000495100000000, 0.0000289100000000, 0.0009996700000000 ] - [ 0.0001223000000000, -0.0000538500000000, 0.0009935700000000 ] - [ -0.0006252900000000, 0.0001469500000000, 0.0007918900000000 ] - [ -0.0006196700000000, 0.0004392800000000, 0.0011168000000000 ] - [ -0.0006569100000000, 0.0004446900000000, 0.0004400900000000 ] - [ -0.0006365000000000, -0.0000028200000000, 0.0007820400000000 ] - [ -0.0006442700000000, 0.0000002500000000, 0.0008119400000000 ] - [ -0.0006292800000000, -0.0000007600000000, 0.0007535800000000 ] - [ -0.0006341700000000, 0.0118883400000000, 0.0007653700000000 ] - [ -0.0009912800000000, -0.0009149700000000, 0.0014565300000000 ] - [ -0.0002876200000000, -0.0009098500000000, 0.0001196000000000 ] - [ -0.0006434400000000, 0.0000879900000000, -0.0007757800000000 ] - [ -0.0006140000000000, -0.0000122000000000, -0.0009728100000000 ] - [ -0.0006584700000000, -0.0000146400000000, -0.0005941100000000 ] - [ -0.0006365400000000, 0.0000061600000000, -0.0007820500000000 ] - [ -0.0006562600000000, -0.0000034100000000, -0.0007609700000000 ] - [ -0.0006169600000000, -0.0000039600000000, -0.0008038900000000 ] - [ -0.0006366700000000, 0.0003603000000000, -0.0007828100000000 ] - [ -0.0005002900000000, -0.0001776000000000, -0.0007549600000000 ] - [ -0.0007723800000000, -0.0001790200000000, -0.0008103300000000 ] - [ 0.0016727500000000, -0.0003440800000000, -0.0009909600000000 ] - [ 0.0006382200000000, -0.0002726700000000, -0.0007828000000000 ] - [ -0.0003982900000000, -0.0003624300000000, -0.0005772800000000 ] - [ 0.0004547500000000, -0.0000539500000000, -0.0005286800000000 ] - [ 0.0006370400000000, 0.0000403900000000, -0.0007827800000000 ] - [ 0.0008194600000000, -0.0000550000000000, -0.0010346800000000 ] - [ 0.0007081200000000, 0.0001262400000000, -0.0006322700000000 ] - [ 0.0006369500000000, -0.0002865500000000, -0.0007822200000000 ] - [ 0.0005657200000000, 0.0001255800000000, -0.0009317100000000 ] - [ -0.0006872500000000, -0.0003619500000000, -0.0002163800000000 ] - [ 0.0006335600000000, -0.0005499000000000, 0.0007825800000000 ] - [ 0.0019650300000000, -0.0003854400000000, 0.0017793300000000 ] - [ 0.0006552700000000, 0.0000058200000000, 0.0007788100000000 ] - [ 0.0006364500000000, 0.0000083200000000, 0.0007818500000000 ] - [ 0.0006182400000000, 0.0000034400000000, 0.0007863100000000 ] - [ 0.0005596500000000, 0.0001184500000000, 0.0007910900000000 ] - [ 0.0006353700000000, -0.0000940800000000, 0.0007842100000000 ] - [ 0.0007169500000000, 0.0001126200000000, 0.0007698000000000 ] - [ 0.0005747000000000, 0.0198495600000000, -0.0017505200000000 ] - [ 0.0001908200000000, -0.0014743700000000, -0.0012326900000000 ] - [ -0.0001181500000000, -0.0014556900000000, 0.0006457500000000 ] - [ 0.0000349700000000, -0.0000310200000000, -0.0002860200000000 ] - [ 0.0000416100000000, 0.0000091900000000, -0.0002337200000000 ] - [ 0.0000303600000000, 0.0000081500000000, -0.0003436100000000 ] - [ 0.0000337600000000, 0.0002134400000000, -0.0002894500000000 ] - [ -0.0000689000000000, -0.0000212800000000, -0.0002897500000000 ] - [ 0.0001407300000000, -0.0000224900000000, -0.0002835200000000 ] - [ 0.0000355900000000, 0.0002582700000000, 0.0002876200000000 ] - [ -0.0000655700000000, -0.0001472700000000, 0.0003155100000000 ] - [ 0.0001338600000000, -0.0001486000000000, 0.0002590100000000 ] - [ 0.0000354200000000, 0.0000278300000000, 0.0002880900000000 ] - [ 0.0000193200000000, -0.0000090500000000, 0.0002677000000000 ] - [ 0.0000496700000000, -0.0000098700000000, 0.0003075800000000 ] - [ 0.0000358200000000, 0.0000233600000000, 0.0002878200000000 ] - [ 0.0000541000000000, -0.0000115100000000, 0.0003367300000000 ] - [ 0.0000170900000000, -0.0000121100000000, 0.0002397400000000 ] - [ -0.0011999000000000, 0.0011319200000000, 0.0020238600000000 ] - [ -0.0000328100000000, -0.0000897900000000, 0.0002862500000000 ] - [ 0.0011250600000000, 0.0011022900000000, -0.0014503100000000 ] - [ -0.0000440600000000, -0.0000063200000000, 0.0003266900000000 ] - [ -0.0000350000000000, 0.0000150700000000, 0.0002877600000000 ] - [ -0.0000268600000000, -0.0000068600000000, 0.0002495800000000 ] - [ 0.0008396900000000, -0.0001873900000000, 0.0015742700000000 ] - [ -0.0000339100000000, -0.0003074400000000, 0.0002884400000000 ] - [ -0.0009060000000000, -0.0001968400000000, -0.0009953200000000 ] - [ -0.0002096000000000, 0.0000312000000000, -0.0007605400000000 ] - [ -0.0000365200000000, -0.0000383400000000, -0.0002884800000000 ] - [ 0.0001369400000000, 0.0000297000000000, 0.0001830300000000 ] - [ -0.0000208700000000, 0.0000048300000000, -0.0002811500000000 ] - [ -0.0000352100000000, -0.0000057800000000, -0.0002878600000000 ] - [ -0.0000488800000000, 0.0000043000000000, -0.0002932800000000 ] - [ 0.0002122200000000, 0.0002624400000000, -0.0001646000000000 ] - [ -0.0000364800000000, -0.0002842200000000, -0.0002875000000000 ] - [ -0.0002849700000000, 0.0002589800000000, -0.0004099200000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0145764100000000, 0.0000000000000000, 0.0023409500000000 ] - [ -0.0013413200000000, 0.0018806400000000, -0.0003822500000000 ] - [ -0.0013413200000000, -0.0018806400000000, -0.0003822500000000 ] - [ -0.0001582800000000, 0.0000000000000000, 0.0021523100000000 ] - [ -0.0001200200000000, 0.0002716400000000, 0.0018493200000000 ] - [ -0.0001200200000000, -0.0002716400000000, 0.0018493200000000 ] - [ 0.0025461600000000, 0.0000000000000000, 0.0011956600000000 ] - [ 0.0012278300000000, -0.0008097700000000, 0.0005779400000000 ] - [ 0.0012278300000000, 0.0008097700000000, 0.0005779400000000 ] - [ -0.0072531800000000, 0.0000000000000000, -0.0157739000000000 ] - [ -0.0006112100000000, -0.0003015900000000, -0.0037947900000000 ] - [ -0.0006112100000000, 0.0003015900000000, -0.0037947900000000 ] - [ 0.0011874700000000, 0.0000000000000000, 0.0012630000000000 ] - [ 0.0006601900000000, 0.0001519700000000, 0.0007274000000000 ] - [ 0.0006601900000000, -0.0001519700000000, 0.0007274000000000 ] - [ -0.0010416600000000, 0.0000000000000000, 0.0023882100000000 ] - [ -0.0005177300000000, -0.0011520200000000, 0.0011107300000000 ] - [ -0.0005177300000000, 0.0011520200000000, 0.0011107300000000 ] - [ 0.0063109600000000, 0.0116282100000000, 0.0085375300000000 ] - [ 0.0008261800000000, 0.0000000000000000, -0.0012395100000000 ] - [ 0.0063109600000000, -0.0116282100000000, 0.0085375300000000 ] - [ 0.0001872000000000, -0.0000652800000000, 0.0014308900000000 ] - [ 0.0001189200000000, 0.0000000000000000, 0.0011001800000000 ] - [ 0.0001872000000000, 0.0000652800000000, 0.0014308900000000 ] - [ 0.0024715500000000, -0.0132474300000000, 0.0078992200000000 ] - [ 0.0001994400000000, 0.0000000000000000, -0.0007976100000000 ] - [ 0.0024715500000000, 0.0132474300000000, 0.0078992200000000 ] - [ -0.0004462300000000, 0.0008246600000000, 0.0013965000000000 ] - [ -0.0000371400000000, 0.0000000000000000, 0.0010071400000000 ] - [ -0.0004462300000000, -0.0008246600000000, 0.0013965000000000 ] - [ -0.0001401800000000, -0.0000655400000000, 0.0015850600000000 ] - [ -0.0000859900000000, 0.0000000000000000, 0.0014020000000000 ] - [ -0.0001401800000000, 0.0000655400000000, 0.0015850600000000 ] - [ -0.0020917500000000, -0.0003627100000000, -0.0018125200000000 ] - [ -0.0006046100000000, 0.0000000000000000, -0.0009761800000000 ] - [ -0.0020917500000000, 0.0003627100000000, -0.0018125200000000 ] - [ 0.0807281800000000, 0.0000000000000000, -0.2729554000000000 ] - [ 0.0009459600000000, 0.0001491900000000, -0.0008825800000000 ] - [ 0.0009459600000000, -0.0001491900000000, -0.0008825800000000 ] - [ -0.0005687200000000, 0.0000000000000000, 0.0021500700000000 ] - [ -0.0003562200000000, 0.0000387600000000, 0.0016916800000000 ] - [ -0.0003562200000000, -0.0000387600000000, 0.0016916800000000 ] - [ -0.0007480400000000, 0.0000000000000000, 0.0021518500000000 ] - [ -0.0003812600000000, 0.0000347900000000, 0.0016906300000000 ] - [ -0.0003812600000000, -0.0000347900000000, 0.0016906300000000 ] - [ -0.0006192600000000, 0.0000000000000000, -0.0022191100000000 ] - [ -0.0003180400000000, 0.0000695200000000, -0.0014771400000000 ] - [ -0.0003180400000000, -0.0000695200000000, -0.0014771400000000 ] - [ 0.0001600900000000, 0.0000000000000000, -0.0004402300000000 ] - [ 0.0001269300000000, 0.0000030100000000, -0.0005142100000000 ] - [ 0.0001269300000000, -0.0000030100000000, -0.0005142100000000 ] - [ -0.0002445800000000, 0.0000000000000000, -0.0011209900000000 ] - [ -0.0001690000000000, -0.0000509000000000, -0.0011364000000000 ] - [ -0.0001690000000000, 0.0000509000000000, -0.0011364000000000 ] - [ -0.0004513600000000, -0.0003497800000000, 0.0002984900000000 ] - [ -0.0001677900000000, 0.0000000000000000, -0.0006022400000000 ] - [ -0.0004513600000000, 0.0003497800000000, 0.0002984900000000 ] - [ -0.0000847700000000, -0.0000351100000000, -0.0004849800000000 ] - [ -0.0000745600000000, 0.0000000000000000, -0.0005605200000000 ] - [ -0.0000847700000000, 0.0000351100000000, -0.0004849800000000 ] - [ 0.0012164800000000, -0.0002440600000000, -0.0033197900000000 ] - [ 0.0004262800000000, 0.0000000000000000, -0.0018844400000000 ] - [ 0.0012164800000000, 0.0002440600000000, -0.0033197900000000 ] - [ 0.0000785600000000, -0.0000066900000000, 0.0009209900000000 ] - [ -0.0000071100000000, 0.0000000000000000, 0.0006944300000000 ] - [ 0.0000785600000000, 0.0000066900000000, 0.0009209900000000 ] - [ 0.0003871300000000, 0.0000042100000000, 0.0016841100000000 ] - [ 0.0003417400000000, 0.0000000000000000, 0.0016081500000000 ] - [ 0.0003871300000000, -0.0000042100000000, 0.0016841100000000 ] - [ -0.0008090700000000, -0.0005450400000000, 0.0009134600000000 ] - [ -0.0002209300000000, 0.0000000000000000, 0.0006927000000000 ] - [ -0.0008090700000000, 0.0005450400000000, 0.0009134600000000 ] - [ -0.0025780800000000, 0.0000000000000000, -0.0024167400000000 ] - [ -0.0016047900000000, -0.0020031300000000, -0.0008461300000000 ] - [ -0.0016047900000000, 0.0020031300000000, -0.0008461300000000 ] - [ -0.0009309800000000, 0.0000000000000000, -0.0010786100000000 ] - [ -0.0009693800000000, 0.0000896500000000, -0.0005377800000000 ] - [ -0.0009693800000000, -0.0000896500000000, -0.0005377800000000 ] - [ 0.0203156400000000, 0.0000000000000000, -0.0135020900000000 ] - [ 0.0000333800000000, 0.0024546800000000, 0.0032669300000000 ] - [ 0.0000333800000000, -0.0024546800000000, 0.0032669300000000 ] - [ 0.0024542900000000, 0.0000000000000000, -0.0026856100000000 ] - [ -0.0000578500000000, -0.0003846100000000, -0.0007170400000000 ] - [ -0.0000578500000000, 0.0003846100000000, -0.0007170400000000 ] - [ -0.0002868200000000, 0.0000000000000000, -0.0018887200000000 ] - [ -0.0003297900000000, 0.0000064900000000, -0.0017377100000000 ] - [ -0.0003297900000000, -0.0000064900000000, -0.0017377100000000 ] - [ -0.0010994000000000, 0.0000000000000000, 0.0002229200000000 ] - [ -0.0009774300000000, 0.0002022300000000, 0.0000363200000000 ] - [ -0.0009774300000000, -0.0002022300000000, 0.0000363200000000 ] - [ 0.0029628900000000, -0.0021003000000000, 0.0024385700000000 ] - [ 0.0012865400000000, 0.0000000000000000, 0.0007386300000000 ] - [ 0.0029628900000000, 0.0021003000000000, 0.0024385700000000 ] - [ 0.0008245600000000, -0.0001037400000000, -0.0022862500000000 ] - [ 0.0005513000000000, 0.0000000000000000, -0.0015041600000000 ] - [ 0.0008245600000000, 0.0001037400000000, -0.0022862500000000 ] - [ 0.0001773900000000, 0.0002570500000000, -0.0015781800000000 ] - [ 0.0002639200000000, 0.0000000000000000, -0.0014329700000000 ] - [ 0.0001773900000000, -0.0002570500000000, -0.0015781800000000 ] - [ -0.0038771200000000, -0.0006030300000000, 0.0046422400000000 ] - [ -0.0001207800000000, 0.0000000000000000, 0.0022263200000000 ] - [ -0.0038771200000000, 0.0006030300000000, 0.0046422400000000 ] - [ 0.0008135900000000, -0.0001595900000000, -0.0004965500000000 ] - [ 0.0007921000000000, 0.0000000000000000, -0.0003487700000000 ] - [ 0.0008135900000000, 0.0001595900000000, -0.0004965500000000 ] - [ 0.0029236400000000, 0.0014831500000000, -0.0019963300000000 ] - [ 0.0010211400000000, 0.0000000000000000, 0.0006917400000000 ] - [ 0.0029236400000000, -0.0014831500000000, -0.0019963300000000 ] - [ -0.0965988600000000, 0.0000000000000000, 0.2718967800000000 ] - [ -0.0003801300000000, -0.0018784700000000, 0.0011625100000000 ] - [ -0.0003801300000000, 0.0018784700000000, 0.0011625100000000 ] - [ 0.0002018700000000, 0.0000000000000000, -0.0017509100000000 ] - [ 0.0000945700000000, -0.0000467200000000, -0.0012992600000000 ] - [ 0.0000945700000000, 0.0000467200000000, -0.0012992600000000 ] - [ -0.0012900200000000, 0.0000000000000000, -0.0026288200000000 ] - [ -0.0006930900000000, 0.0012487900000000, -0.0014461800000000 ] - [ -0.0006930900000000, -0.0012487900000000, -0.0014461800000000 ] - [ 0.0021466900000000, 0.0000000000000000, 0.0019813000000000 ] - [ 0.0005042500000000, -0.0000260500000000, 0.0012464900000000 ] - [ 0.0005042500000000, 0.0000260500000000, 0.0012464900000000 ] - [ -0.0001395600000000, 0.0000000000000000, -0.0004847500000000 ] - [ -0.0000515300000000, -0.0001373500000000, -0.0003273400000000 ] - [ -0.0000515300000000, 0.0001373500000000, -0.0003273400000000 ] - [ 0.0006062300000000, 0.0000000000000000, -0.0000446000000000 ] - [ 0.0004000400000000, 0.0001267100000000, 0.0001101200000000 ] - [ 0.0004000400000000, -0.0001267100000000, 0.0001101200000000 ] - [ 0.0019497200000000, -0.0023665000000000, -0.0023107200000000 ] - [ 0.0001906000000000, 0.0000000000000000, 0.0000757700000000 ] - [ 0.0019497200000000, 0.0023665000000000, -0.0023107200000000 ] - [ -0.0000833200000000, -0.0000154300000000, -0.0005931200000000 ] - [ -0.0000678500000000, 0.0000000000000000, -0.0004614200000000 ] - [ -0.0000833200000000, 0.0000154300000000, -0.0005931200000000 ] - [ -0.0030708900000000, 0.0014452500000000, 0.0008567100000000 ] - [ -0.0006139400000000, 0.0000000000000000, 0.0011429700000000 ] - [ -0.0030708900000000, -0.0014452500000000, 0.0008567100000000 ] - [ -0.0001117100000000, -0.0001651500000000, -0.0004147900000000 ] - [ -0.0001541800000000, 0.0000000000000000, -0.0002188700000000 ] - [ -0.0001117100000000, 0.0001651500000000, -0.0004147900000000 ] - [ 0.0001292500000000, 0.0001307100000000, -0.0013454400000000 ] - [ 0.0001268700000000, 0.0000000000000000, -0.0012162400000000 ] - [ 0.0001292500000000, -0.0001307100000000, -0.0013454400000000 ] - [ 0.0023581200000000, 0.0015149700000000, 0.0009635400000000 ] - [ 0.0003190600000000, 0.0000000000000000, 0.0005105800000000 ] - [ 0.0023581200000000, -0.0015149700000000, 0.0009635400000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0148869300000000, 0.0000000000000000, -0.0014338800000000 ] - [ 0.0012817700000000, -0.0019248600000000, 0.0013654300000000 ] - [ 0.0012817700000000, 0.0019248600000000, 0.0013654300000000 ] - [ 0.0000747900000000, 0.0000000000000000, -0.0012231800000000 ] - [ 0.0000335900000000, -0.0002772600000000, -0.0009124200000000 ] - [ 0.0000335900000000, 0.0002772600000000, -0.0009124200000000 ] - [ -0.0026797800000000, 0.0000000000000000, -0.0002309700000000 ] - [ -0.0013364900000000, 0.0008187800000000, 0.0003898200000000 ] - [ -0.0013364900000000, -0.0008187800000000, 0.0003898200000000 ] - [ 0.0073334900000000, 0.0000000000000000, 0.0150957700000000 ] - [ 0.0005346800000000, 0.0003238400000000, 0.0028827000000000 ] - [ 0.0005346800000000, -0.0003238400000000, 0.0028827000000000 ] - [ -0.0013066100000000, 0.0000000000000000, -0.0022607900000000 ] - [ -0.0007628800000000, -0.0001536900000000, -0.0017126200000000 ] - [ -0.0007628800000000, 0.0001536900000000, -0.0017126200000000 ] - [ 0.0009768800000000, 0.0000000000000000, -0.0034156200000000 ] - [ 0.0004414200000000, 0.0011775400000000, -0.0021097100000000 ] - [ 0.0004414200000000, -0.0011775400000000, -0.0021097100000000 ] - [ -0.0064053300000000, -0.0118317500000000, -0.0095652800000000 ] - [ -0.0007620500000000, 0.0000000000000000, 0.0002923400000000 ] - [ -0.0064053300000000, 0.0118317500000000, -0.0095652800000000 ] - [ -0.0001033500000000, 0.0000664600000000, -0.0024355900000000 ] - [ -0.0000331800000000, 0.0000000000000000, -0.0020976000000000 ] - [ -0.0001033500000000, -0.0000664600000000, -0.0024355900000000 ] - [ -0.0024665700000000, 0.0135479900000000, -0.0090308900000000 ] - [ -0.0001195700000000, 0.0000000000000000, -0.0001605200000000 ] - [ -0.0024665700000000, -0.0135479900000000, -0.0090308900000000 ] - [ 0.0005481300000000, -0.0008379700000000, -0.0004475900000000 ] - [ 0.0001289700000000, 0.0000000000000000, -0.0000532000000000 ] - [ 0.0005481300000000, 0.0008379700000000, -0.0004475900000000 ] - [ 0.0002341800000000, 0.0000681400000000, -0.0006416400000000 ] - [ 0.0001780000000000, 0.0000000000000000, -0.0004556800000000 ] - [ 0.0002341800000000, -0.0000681400000000, -0.0006416400000000 ] - [ 0.0022356900000000, 0.0003685700000000, 0.0028231400000000 ] - [ 0.0007104100000000, 0.0000000000000000, 0.0019695200000000 ] - [ 0.0022356900000000, -0.0003685700000000, 0.0028231400000000 ] - [ -0.0701258500000000, 0.0000000000000000, 0.2539253300000000 ] - [ -0.0010662500000000, -0.0001550000000000, 0.0029198300000000 ] - [ -0.0010662500000000, 0.0001550000000000, 0.0029198300000000 ] - [ 0.0004810700000000, 0.0000000000000000, -0.0001749700000000 ] - [ 0.0002634500000000, -0.0000396400000000, 0.0002968500000000 ] - [ 0.0002634500000000, 0.0000396400000000, 0.0002968500000000 ] - [ 0.0006637500000000, 0.0000000000000000, -0.0001736300000000 ] - [ 0.0002894200000000, -0.0000352200000000, 0.0002964600000000 ] - [ 0.0002894200000000, 0.0000352200000000, 0.0002964600000000 ] - [ 0.0005331000000000, 0.0000000000000000, 0.0002408800000000 ] - [ 0.0002271200000000, -0.0000706700000000, -0.0005125800000000 ] - [ 0.0002271200000000, 0.0000706700000000, -0.0005125800000000 ] - [ -0.0002614100000000, 0.0000000000000000, -0.0015703000000000 ] - [ -0.0002283000000000, -0.0000033000000000, -0.0014959000000000 ] - [ -0.0002283000000000, 0.0000033000000000, -0.0014959000000000 ] - [ 0.0001513900000000, 0.0000000000000000, -0.0008779100000000 ] - [ 0.0000739800000000, 0.0000521000000000, -0.0008620500000000 ] - [ 0.0000739800000000, -0.0000521000000000, -0.0008620500000000 ] - [ 0.0005608200000000, 0.0003589300000000, -0.0023274900000000 ] - [ 0.0002713100000000, 0.0000000000000000, -0.0014089000000000 ] - [ 0.0005608200000000, -0.0003589300000000, -0.0023274900000000 ] - [ 0.0001853000000000, 0.0000358400000000, -0.0015261300000000 ] - [ 0.0001745000000000, 0.0000000000000000, -0.0014474900000000 ] - [ 0.0001853000000000, -0.0000358400000000, -0.0015261300000000 ] - [ -0.0011247700000000, 0.0002358900000000, 0.0013672100000000 ] - [ -0.0003353300000000, 0.0000000000000000, -0.0000992700000000 ] - [ -0.0011247700000000, -0.0002358900000000, 0.0013672100000000 ] - [ 0.0000249300000000, 0.0000057200000000, 0.0010948500000000 ] - [ 0.0001076400000000, 0.0000000000000000, 0.0013148800000000 ] - [ 0.0000249300000000, -0.0000057200000000, 0.0010948500000000 ] - [ -0.0002966600000000, -0.0000043300000000, 0.0003009900000000 ] - [ -0.0002497700000000, 0.0000000000000000, 0.0003803700000000 ] - [ -0.0002966600000000, 0.0000043300000000, 0.0003009900000000 ] - [ 0.0009254400000000, 0.0005583300000000, 0.0010875000000000 ] - [ 0.0003236300000000, 0.0000000000000000, 0.0013134500000000 ] - [ 0.0009254400000000, -0.0005583300000000, 0.0010875000000000 ] - [ 0.0013756200000000, 0.0000000000000000, 0.0040729000000000 ] - [ 0.0003464000000000, 0.0020434500000000, 0.0024526600000000 ] - [ 0.0003464000000000, -0.0020434500000000, 0.0024526600000000 ] - [ -0.0003406200000000, 0.0000000000000000, 0.0026894100000000 ] - [ -0.0003011500000000, -0.0000912700000000, 0.0021366400000000 ] - [ -0.0003011500000000, 0.0000912700000000, 0.0021366400000000 ] - [ -0.0223875900000000, 0.0000000000000000, 0.0156396400000000 ] - [ -0.0013160400000000, -0.0025014200000000, -0.0017424700000000 ] - [ -0.0013160400000000, 0.0025014200000000, -0.0017424700000000 ] - [ -0.0037875400000000, 0.0000000000000000, 0.0011367500000000 ] - [ -0.0012353800000000, 0.0003922800000000, -0.0008554100000000 ] - [ -0.0012353800000000, -0.0003922800000000, -0.0008554100000000 ] - [ -0.0009996900000000, 0.0000000000000000, 0.0003385900000000 ] - [ -0.0009552200000000, -0.0000065100000000, 0.0001849900000000 ] - [ -0.0009552200000000, 0.0000065100000000, 0.0001849900000000 ] - [ -0.0001765300000000, 0.0000000000000000, -0.0018137300000000 ] - [ -0.0002983300000000, -0.0002049800000000, -0.0016229500000000 ] - [ -0.0002983300000000, 0.0002049800000000, -0.0016229500000000 ] - [ -0.0017437300000000, 0.0021458700000000, -0.0040664500000000 ] - [ -0.0000235300000000, 0.0000000000000000, -0.0023419100000000 ] - [ -0.0017437300000000, -0.0021458700000000, -0.0040664500000000 ] - [ 0.0004475400000000, 0.0001058900000000, 0.0007462600000000 ] - [ 0.0007279900000000, 0.0000000000000000, -0.0000526900000000 ] - [ 0.0004475400000000, -0.0001058900000000, 0.0007462600000000 ] - [ 0.0011078700000000, -0.0002610900000000, 0.0000178200000000 ] - [ 0.0010202100000000, 0.0000000000000000, -0.0001286400000000 ] - [ 0.0011078700000000, 0.0002610900000000, 0.0000178200000000 ] - [ 0.0052105600000000, 0.0005735800000000, -0.0031497800000000 ] - [ 0.0014166400000000, 0.0000000000000000, -0.0006869200000000 ] - [ 0.0052105600000000, -0.0005735800000000, -0.0031497800000000 ] - [ 0.0004618600000000, 0.0001638000000000, 0.0020930600000000 ] - [ 0.0004838800000000, 0.0000000000000000, 0.0019428300000000 ] - [ 0.0004618600000000, -0.0001638000000000, 0.0020930600000000 ] - [ -0.0016911800000000, -0.0015166500000000, 0.0036301400000000 ] - [ 0.0002507200000000, 0.0000000000000000, 0.0008815400000000 ] - [ -0.0016911800000000, 0.0015166500000000, 0.0036301400000000 ] - [ 0.0867236300000000, 0.0000000000000000, -0.2519104300000000 ] - [ 0.0004641200000000, 0.0019148700000000, -0.0017895000000000 ] - [ 0.0004641200000000, -0.0019148700000000, -0.0017895000000000 ] - [ -0.0001348500000000, 0.0000000000000000, 0.0011852600000000 ] - [ -0.0000244300000000, 0.0000478800000000, 0.0007213100000000 ] - [ -0.0000244300000000, -0.0000478800000000, 0.0007213100000000 ] - [ 0.0013911400000000, 0.0000000000000000, 0.0020759100000000 ] - [ 0.0007815300000000, -0.0012744800000000, 0.0008700700000000 ] - [ 0.0007815300000000, 0.0012744800000000, 0.0008700700000000 ] - [ -0.0021230000000000, 0.0000000000000000, -0.0014110200000000 ] - [ -0.0004495000000000, 0.0000253300000000, -0.0006677500000000 ] - [ -0.0004495000000000, -0.0000253300000000, -0.0006677500000000 ] - [ 0.0002140400000000, 0.0000000000000000, 0.0010951700000000 ] - [ 0.0001228400000000, 0.0001393500000000, 0.0009368600000000 ] - [ 0.0001228400000000, -0.0001393500000000, 0.0009368600000000 ] - [ -0.0005488700000000, 0.0000000000000000, 0.0006502400000000 ] - [ -0.0003383100000000, -0.0001292500000000, 0.0004915500000000 ] - [ -0.0003383100000000, 0.0001292500000000, 0.0004915500000000 ] - [ -0.0020678300000000, 0.0024268600000000, 0.0029593000000000 ] - [ -0.0002641400000000, 0.0000000000000000, 0.0005275400000000 ] - [ -0.0020678300000000, -0.0024268600000000, 0.0029593000000000 ] - [ 0.0000141600000000, 0.0000158500000000, 0.0012097600000000 ] - [ -0.0000009000000000, 0.0000000000000000, 0.0010732900000000 ] - [ 0.0000141600000000, -0.0000158500000000, 0.0012097600000000 ] - [ 0.0030541100000000, -0.0014638400000000, -0.0002883200000000 ] - [ 0.0005559100000000, 0.0000000000000000, -0.0005620900000000 ] - [ 0.0030541100000000, 0.0014638400000000, -0.0002883200000000 ] - [ 0.0000399100000000, 0.0001690400000000, -0.0001917300000000 ] - [ 0.0000847400000000, 0.0000000000000000, -0.0003817900000000 ] - [ 0.0000399100000000, -0.0001690400000000, -0.0001917300000000 ] - [ -0.0002031300000000, -0.0001334400000000, 0.0007720100000000 ] - [ -0.0002013800000000, 0.0000000000000000, 0.0006373400000000 ] - [ -0.0002031300000000, 0.0001334400000000, 0.0007720100000000 ] - [ -0.0024855500000000, -0.0015498700000000, -0.0015857700000000 ] - [ -0.0003990600000000, 0.0000000000000000, -0.0011202300000000 ] - [ -0.0024855500000000, 0.0015498700000000, -0.0015857700000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0071349000000000, 0.0000000000000000, -0.0017610800000000 ] - [ -0.0032801500000000, 0.0023176800000000, -0.0000782400000000 ] - [ -0.0032801500000000, -0.0023176800000000, -0.0000782400000000 ] - [ -0.0073290300000000, 0.0000000000000000, 0.0022181900000000 ] - [ -0.0008957400000000, 0.0005936000000000, 0.0008742800000000 ] - [ -0.0008957400000000, -0.0005936000000000, 0.0008742800000000 ] - [ -0.0003381500000000, 0.0000000000000000, -0.0002232900000000 ] - [ -0.0002385200000000, 0.0000816600000000, -0.0001636300000000 ] - [ -0.0002385200000000, -0.0000816600000000, -0.0001636300000000 ] - [ 0.0011098400000000, 0.0000000000000000, 0.0013681500000000 ] - [ 0.0005690800000000, -0.0003857800000000, -0.0000735400000000 ] - [ 0.0005690800000000, 0.0003857800000000, -0.0000735400000000 ] - [ 0.0358190400000000, 0.0000000000000000, 0.0159904400000000 ] - [ 0.0026209400000000, -0.0063785900000000, 0.0005257900000000 ] - [ 0.0026209400000000, 0.0063785900000000, 0.0005257900000000 ] - [ 0.0007181700000000, 0.0000000000000000, -0.0018828100000000 ] - [ 0.0003490700000000, -0.0003815500000000, -0.0015402200000000 ] - [ 0.0003490700000000, 0.0003815500000000, -0.0015402200000000 ] - [ 0.0163929200000000, -0.0020678400000000, 0.0051678800000000 ] - [ 0.0018530700000000, 0.0000000000000000, 0.0005361300000000 ] - [ 0.0163929200000000, 0.0020678400000000, 0.0051678800000000 ] - [ 0.0069864400000000, 0.0038531500000000, -0.0002523500000000 ] - [ 0.0015838800000000, 0.0000000000000000, -0.0007359500000000 ] - [ 0.0069864400000000, -0.0038531500000000, -0.0002523500000000 ] - [ 0.0004709400000000, 0.0003474200000000, -0.0014938400000000 ] - [ 0.0004216500000000, 0.0000000000000000, -0.0012706300000000 ] - [ 0.0004709400000000, -0.0003474200000000, -0.0014938400000000 ] - [ -0.0077467100000000, -0.0025032200000000, 0.0017725300000000 ] - [ -0.0018904200000000, 0.0000000000000000, 0.0012896600000000 ] - [ -0.0077467100000000, 0.0025032200000000, 0.0017725300000000 ] - [ -0.0010539400000000, -0.0003171800000000, -0.0004444600000000 ] - [ -0.0004607300000000, 0.0000000000000000, -0.0000671800000000 ] - [ -0.0010539400000000, 0.0003171800000000, -0.0004444600000000 ] - [ -0.0010908200000000, -0.0001005700000000, 0.0001844100000000 ] - [ -0.0009067600000000, 0.0000000000000000, 0.0001300400000000 ] - [ -0.0010908200000000, 0.0001005700000000, 0.0001844100000000 ] - [ 0.0029254200000000, 0.0000000000000000, -0.0009879200000000 ] - [ 0.0006599800000000, -0.0000220500000000, 0.0000157500000000 ] - [ 0.0006599800000000, 0.0000220500000000, 0.0000157500000000 ] - [ -0.0005780000000000, 0.0000000000000000, 0.0223346300000000 ] - [ 0.0000804300000000, 0.0003525000000000, 0.0016828000000000 ] - [ 0.0000804300000000, -0.0003525000000000, 0.0016828000000000 ] - [ 0.0001614600000000, 0.0000000000000000, 0.0006993500000000 ] - [ 0.0001629500000000, 0.0000074800000000, 0.0006606800000000 ] - [ 0.0001629500000000, -0.0000074800000000, 0.0006606800000000 ] - [ -0.0004216400000000, 0.0000000000000000, -0.0005321500000000 ] - [ -0.0002442300000000, -0.0001365500000000, -0.0006541100000000 ] - [ -0.0002442300000000, 0.0001365500000000, -0.0006541100000000 ] - [ -0.0010092900000000, 0.0000000000000000, -0.0041298800000000 ] - [ -0.0005126400000000, -0.0000226100000000, -0.0015886600000000 ] - [ -0.0005126400000000, 0.0000226100000000, -0.0015886600000000 ] - [ -0.0002354000000000, 0.0000000000000000, -0.0013579500000000 ] - [ -0.0002157300000000, 0.0000197800000000, -0.0013137300000000 ] - [ -0.0002157300000000, -0.0000197800000000, -0.0013137300000000 ] - [ -0.0023557100000000, 0.0010325800000000, 0.0013615000000000 ] - [ -0.0003946000000000, 0.0000000000000000, -0.0003390100000000 ] - [ -0.0023557100000000, -0.0010325800000000, 0.0013615000000000 ] - [ -0.0000935400000000, -0.0001825200000000, -0.0008121800000000 ] - [ 0.0000455100000000, 0.0000000000000000, -0.0010875200000000 ] - [ -0.0000935400000000, 0.0001825200000000, -0.0008121800000000 ] - [ 0.0000693600000000, 0.0000712100000000, -0.0014644500000000 ] - [ 0.0000915100000000, 0.0000000000000000, -0.0013772200000000 ] - [ 0.0000693600000000, -0.0000712100000000, -0.0014644500000000 ] - [ 0.0004999800000000, -0.0013269000000000, 0.0055664100000000 ] - [ 0.0006684000000000, 0.0000000000000000, 0.0017724000000000 ] - [ 0.0004999800000000, 0.0013269000000000, 0.0055664100000000 ] - [ -0.0011789600000000, -0.0000802000000000, -0.0013189300000000 ] - [ -0.0001263400000000, 0.0000000000000000, 0.0006123100000000 ] - [ -0.0011789600000000, 0.0000802000000000, -0.0013189300000000 ] - [ 0.0000289200000000, 0.0000184200000000, 0.0008201900000000 ] - [ 0.0000319100000000, 0.0000000000000000, 0.0008415500000000 ] - [ 0.0000289200000000, -0.0000184200000000, 0.0008201900000000 ] - [ -0.0973380200000000, 0.0000000000000000, -0.0478754900000000 ] - [ -0.0049635800000000, -0.0021019400000000, -0.0027465000000000 ] - [ -0.0049635800000000, 0.0021019400000000, -0.0027465000000000 ] - [ -0.0021049400000000, 0.0000000000000000, 0.0005477900000000 ] - [ -0.0012714800000000, -0.0002071400000000, 0.0010558600000000 ] - [ -0.0012714800000000, 0.0002071400000000, 0.0010558600000000 ] - [ -0.0021041200000000, 0.0000000000000000, 0.0022933200000000 ] - [ -0.0012721300000000, -0.0000250200000000, 0.0013589700000000 ] - [ -0.0012721300000000, 0.0000250200000000, 0.0013589700000000 ] - [ 0.0031782200000000, 0.0000000000000000, -0.0033470900000000 ] - [ 0.0020028200000000, 0.0005820500000000, -0.0024889100000000 ] - [ 0.0020028200000000, -0.0005820500000000, -0.0024889100000000 ] - [ 0.0015980400000000, 0.0000000000000000, 0.0003059400000000 ] - [ 0.0000228400000000, 0.0000814500000000, -0.0005063300000000 ] - [ 0.0000228400000000, -0.0000814500000000, -0.0005063300000000 ] - [ -0.0003941100000000, 0.0000000000000000, -0.0004085800000000 ] - [ -0.0004417300000000, -0.0000243700000000, -0.0004096500000000 ] - [ -0.0004417300000000, 0.0000243700000000, -0.0004096500000000 ] - [ 0.0020722300000000, -0.0005161100000000, 0.0004822700000000 ] - [ 0.0017944400000000, 0.0000000000000000, 0.0001803500000000 ] - [ 0.0020722300000000, 0.0005161100000000, 0.0004822700000000 ] - [ 0.0041697700000000, -0.0002405400000000, -0.0011394400000000 ] - [ 0.0014871500000000, 0.0000000000000000, -0.0010175000000000 ] - [ 0.0041697700000000, 0.0002405400000000, -0.0011394400000000 ] - [ 0.0012115300000000, 0.0000301600000000, -0.0003748900000000 ] - [ 0.0009582400000000, 0.0000000000000000, -0.0003327700000000 ] - [ 0.0012115300000000, -0.0000301600000000, -0.0003748900000000 ] - [ -0.0038434300000000, 0.0024234500000000, -0.0017107400000000 ] - [ -0.0005209400000000, 0.0000000000000000, 0.0006701400000000 ] - [ -0.0038434300000000, -0.0024234500000000, -0.0017107400000000 ] - [ -0.0038522400000000, 0.0090246300000000, 0.0088586600000000 ] - [ -0.0005162800000000, 0.0000000000000000, 0.0017054800000000 ] - [ -0.0038522400000000, -0.0090246300000000, 0.0088586600000000 ] - [ 0.0001577100000000, 0.0000042000000000, 0.0015404000000000 ] - [ 0.0002686200000000, 0.0000000000000000, 0.0013853400000000 ] - [ 0.0001577100000000, -0.0000042000000000, 0.0015404000000000 ] - [ 0.0004187600000000, 0.0000000000000000, 0.0099487400000000 ] - [ 0.0015058200000000, -0.0026764900000000, 0.0015572400000000 ] - [ 0.0015058200000000, 0.0026764900000000, 0.0015572400000000 ] - [ 0.0070247500000000, 0.0000000000000000, -0.0290162900000000 ] - [ -0.0007407400000000, -0.0004532000000000, -0.0010730900000000 ] - [ -0.0007407400000000, 0.0004532000000000, -0.0010730900000000 ] - [ -0.0000956200000000, 0.0000000000000000, 0.0001673600000000 ] - [ -0.0001184600000000, -0.0000499800000000, 0.0001725900000000 ] - [ -0.0001184600000000, 0.0000499800000000, 0.0001725900000000 ] - [ 0.0004578100000000, 0.0000000000000000, -0.0004116000000000 ] - [ 0.0003661300000000, 0.0000870900000000, -0.0001041000000000 ] - [ 0.0003661300000000, -0.0000870900000000, -0.0001041000000000 ] - [ 0.0129848600000000, 0.0000000000000000, 0.0020281600000000 ] - [ 0.0012278800000000, 0.0009431500000000, 0.0007689100000000 ] - [ 0.0012278800000000, -0.0009431500000000, 0.0007689100000000 ] - [ 0.0002586600000000, 0.0000000000000000, 0.0008820800000000 ] - [ 0.0002503600000000, 0.0000911300000000, 0.0007711000000000 ] - [ 0.0002503600000000, -0.0000911300000000, 0.0007711000000000 ] - [ 0.0072937300000000, -0.0052420000000000, 0.0024565500000000 ] - [ 0.0004264100000000, 0.0000000000000000, -0.0004465900000000 ] - [ 0.0072937300000000, 0.0052420000000000, 0.0024565500000000 ] - [ 0.0001807000000000, -0.0008188500000000, -0.0005543800000000 ] - [ -0.0001413600000000, 0.0000000000000000, 0.0002686300000000 ] - [ 0.0001807000000000, 0.0008188500000000, -0.0005543800000000 ] - [ -0.0000120200000000, -0.0000869900000000, 0.0009734000000000 ] - [ -0.0000490100000000, 0.0000000000000000, 0.0008281400000000 ] - [ -0.0000120200000000, 0.0000869900000000, 0.0009734000000000 ] - [ 0.0091605100000000, 0.0083565500000000, -0.0026007900000000 ] - [ -0.0001970000000000, 0.0000000000000000, -0.0012961300000000 ] - [ 0.0091605100000000, -0.0083565500000000, -0.0026007900000000 ] - [ 0.0007351000000000, 0.0001017900000000, 0.0019808600000000 ] - [ 0.0000860600000000, 0.0000000000000000, 0.0002718400000000 ] - [ 0.0007351000000000, -0.0001017900000000, 0.0019808600000000 ] - [ 0.0000745300000000, -0.0000141000000000, -0.0002382400000000 ] - [ 0.0001143900000000, 0.0000000000000000, -0.0002988500000000 ] - [ 0.0000745300000000, 0.0000141000000000, -0.0002382400000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0070200400000000, 0.0000000000000000, 0.0027599200000000 ] - [ 0.0031605900000000, -0.0023251000000000, 0.0010666100000000 ] - [ 0.0031605900000000, 0.0023251000000000, 0.0010666100000000 ] - [ 0.0072336400000000, 0.0000000000000000, -0.0012533400000000 ] - [ 0.0008103900000000, -0.0006007100000000, 0.0000933300000000 ] - [ 0.0008103900000000, 0.0006007100000000, 0.0000933300000000 ] - [ 0.0002558100000000, 0.0000000000000000, 0.0011782100000000 ] - [ 0.0001579800000000, -0.0000840500000000, 0.0011199200000000 ] - [ 0.0001579800000000, 0.0000840500000000, 0.0011199200000000 ] - [ -0.0011661300000000, 0.0000000000000000, -0.0023589900000000 ] - [ -0.0006303600000000, 0.0003968200000000, -0.0009086500000000 ] - [ -0.0006303600000000, -0.0003968200000000, -0.0009086500000000 ] - [ -0.0338716500000000, 0.0000000000000000, -0.0152712000000000 ] - [ -0.0026513600000000, 0.0063306100000000, -0.0014577300000000 ] - [ -0.0026513600000000, -0.0063306100000000, -0.0014577300000000 ] - [ -0.0007959500000000, 0.0000000000000000, 0.0008931400000000 ] - [ -0.0004270300000000, 0.0003781600000000, 0.0005571600000000 ] - [ -0.0004270300000000, -0.0003781600000000, 0.0005571600000000 ] - [ -0.0162306700000000, 0.0022174000000000, -0.0061935200000000 ] - [ -0.0017687800000000, 0.0000000000000000, -0.0014927400000000 ] - [ -0.0162306700000000, -0.0022174000000000, -0.0061935200000000 ] - [ -0.0068720600000000, -0.0038589900000000, -0.0007244900000000 ] - [ -0.0014963600000000, 0.0000000000000000, -0.0002280300000000 ] - [ -0.0068720600000000, 0.0038589900000000, -0.0007244900000000 ] - [ -0.0003930700000000, -0.0003471600000000, 0.0005077300000000 ] - [ -0.0003425900000000, 0.0000000000000000, 0.0002853900000000 ] - [ -0.0003930700000000, 0.0003471600000000, 0.0005077300000000 ] - [ 0.0077784500000000, 0.0024730600000000, -0.0007848500000000 ] - [ 0.0019606900000000, 0.0000000000000000, -0.0003150100000000 ] - [ 0.0077784500000000, -0.0024730600000000, -0.0007848500000000 ] - [ 0.0011273300000000, 0.0003122500000000, 0.0013979800000000 ] - [ 0.0005371200000000, 0.0000000000000000, 0.0010252000000000 ] - [ 0.0011273300000000, -0.0003122500000000, 0.0013979800000000 ] - [ 0.0011720400000000, 0.0001002900000000, 0.0007801100000000 ] - [ 0.0009853600000000, 0.0000000000000000, 0.0008346600000000 ] - [ 0.0011720400000000, -0.0001002900000000, 0.0007801100000000 ] - [ -0.0030182700000000, 0.0000000000000000, 0.0029679200000000 ] - [ -0.0007433900000000, 0.0000151600000000, 0.0019690900000000 ] - [ -0.0007433900000000, -0.0000151600000000, 0.0019690900000000 ] - [ 0.0003198200000000, 0.0000000000000000, -0.0203615100000000 ] - [ -0.0001885600000000, -0.0003512200000000, 0.0003361500000000 ] - [ -0.0001885600000000, 0.0003512200000000, 0.0003361500000000 ] - [ -0.0002551100000000, 0.0000000000000000, 0.0012924200000000 ] - [ -0.0002570000000000, -0.0000074900000000, 0.0013314800000000 ] - [ -0.0002570000000000, 0.0000074900000000, 0.0013314800000000 ] - [ 0.0003254900000000, 0.0000000000000000, -0.0014580200000000 ] - [ 0.0001488500000000, 0.0001356700000000, -0.0013360800000000 ] - [ 0.0001488500000000, -0.0001356700000000, -0.0013360800000000 ] - [ 0.0009002800000000, 0.0000000000000000, 0.0021089600000000 ] - [ 0.0004120100000000, 0.0000217600000000, -0.0004138900000000 ] - [ 0.0004120100000000, -0.0000217600000000, -0.0004138900000000 ] - [ 0.0001355300000000, 0.0000000000000000, -0.0006473300000000 ] - [ 0.0001164200000000, -0.0000196200000000, -0.0006901800000000 ] - [ 0.0001164200000000, 0.0000196200000000, -0.0006901800000000 ] - [ 0.0024535900000000, -0.0010387700000000, -0.0033475000000000 ] - [ 0.0004870700000000, 0.0000000000000000, -0.0016512800000000 ] - [ 0.0024535900000000, 0.0010387700000000, -0.0033475000000000 ] - [ 0.0001929200000000, 0.0001821100000000, -0.0011913400000000 ] - [ 0.0000533900000000, 0.0000000000000000, -0.0009136400000000 ] - [ 0.0001929200000000, -0.0001821100000000, -0.0011913400000000 ] - [ 0.0000268400000000, -0.0000711900000000, -0.0005368800000000 ] - [ 0.0000039700000000, 0.0000000000000000, -0.0006239300000000 ] - [ 0.0000268400000000, 0.0000711900000000, -0.0005368800000000 ] - [ -0.0003710700000000, 0.0013252200000000, -0.0035182200000000 ] - [ -0.0005606700000000, 0.0000000000000000, 0.0002373300000000 ] - [ -0.0003710700000000, -0.0013252200000000, -0.0035182200000000 ] - [ 0.0012679800000000, 0.0000772200000000, 0.0032989000000000 ] - [ 0.0002238200000000, 0.0000000000000000, 0.0013852000000000 ] - [ 0.0012679800000000, -0.0000772200000000, 0.0032989000000000 ] - [ 0.0000662700000000, -0.0000185200000000, 0.0011734800000000 ] - [ 0.0000637100000000, 0.0000000000000000, 0.0011520100000000 ] - [ 0.0000662700000000, 0.0000185200000000, 0.0011734800000000 ] - [ 0.0938270200000000, 0.0000000000000000, 0.0475523700000000 ] - [ 0.0036591800000000, 0.0020429800000000, 0.0042680700000000 ] - [ 0.0036591800000000, -0.0020429800000000, 0.0042680700000000 ] - [ 0.0008327400000000, 0.0000000000000000, 0.0010350100000000 ] - [ -0.0000026200000000, 0.0002148500000000, 0.0005212800000000 ] - [ -0.0000026200000000, -0.0002148500000000, 0.0005212800000000 ] - [ 0.0008336400000000, 0.0000000000000000, -0.0007108400000000 ] - [ -0.0000031800000000, 0.0000253500000000, 0.0002256300000000 ] - [ -0.0000031800000000, -0.0000253500000000, 0.0002256300000000 ] - [ -0.0044287200000000, 0.0000000000000000, 0.0017518900000000 ] - [ -0.0032588700000000, -0.0005702500000000, 0.0009022100000000 ] - [ -0.0032588700000000, 0.0005702500000000, 0.0009022100000000 ] - [ -0.0028598800000000, 0.0000000000000000, -0.0018526900000000 ] - [ -0.0012937000000000, -0.0000784700000000, -0.0010551700000000 ] - [ -0.0012937000000000, 0.0000784700000000, -0.0010551700000000 ] - [ -0.0008795200000000, 0.0000000000000000, -0.0011508100000000 ] - [ -0.0008319900000000, 0.0000248200000000, -0.0011503900000000 ] - [ -0.0008319900000000, -0.0000248200000000, -0.0011503900000000 ] - [ -0.0007917700000000, 0.0005170000000000, -0.0020492200000000 ] - [ -0.0005126500000000, 0.0000000000000000, -0.0017473500000000 ] - [ -0.0007917700000000, -0.0005170000000000, -0.0020492200000000 ] - [ -0.0028780500000000, 0.0002477200000000, -0.0004274600000000 ] - [ -0.0002079500000000, 0.0000000000000000, -0.0005547200000000 ] - [ -0.0028780500000000, -0.0002477200000000, -0.0004274600000000 ] - [ 0.0000662100000000, -0.0000292500000000, -0.0011813100000000 ] - [ 0.0003183200000000, 0.0000000000000000, -0.0012257900000000 ] - [ 0.0000662100000000, 0.0000292500000000, -0.0011813100000000 ] - [ 0.0050596800000000, -0.0024378900000000, 0.0032948400000000 ] - [ 0.0017774000000000, 0.0000000000000000, 0.0008947500000000 ] - [ 0.0050596800000000, 0.0024378900000000, 0.0032948400000000 ] - [ 0.0050511600000000, -0.0089133200000000, -0.0072418200000000 ] - [ 0.0017820200000000, 0.0000000000000000, -0.0001411600000000 ] - [ 0.0050511600000000, 0.0089133200000000, -0.0072418200000000 ] - [ 0.0011108700000000, -0.0000025600000000, 0.0000391100000000 ] - [ 0.0010003500000000, 0.0000000000000000, 0.0001928800000000 ] - [ 0.0011108700000000, 0.0000025600000000, 0.0000391100000000 ] - [ -0.0002810800000000, 0.0000000000000000, -0.0105519700000000 ] - [ -0.0014042600000000, 0.0026204400000000, -0.0020886100000000 ] - [ -0.0014042600000000, -0.0026204400000000, -0.0020886100000000 ] - [ -0.0069521400000000, 0.0000000000000000, 0.0286857100000000 ] - [ 0.0008128200000000, 0.0004565100000000, 0.0004734800000000 ] - [ 0.0008128200000000, -0.0004565100000000, 0.0004734800000000 ] - [ 0.0001670700000000, 0.0000000000000000, -0.0007393500000000 ] - [ 0.0001898400000000, 0.0000504200000000, -0.0007450200000000 ] - [ 0.0001898400000000, -0.0000504200000000, -0.0007450200000000 ] - [ -0.0003937500000000, 0.0000000000000000, 0.0009869100000000 ] - [ -0.0003015300000000, -0.0000869900000000, 0.0006795400000000 ] - [ -0.0003015300000000, 0.0000869900000000, 0.0006795400000000 ] - [ -0.0127688300000000, 0.0000000000000000, -0.0014457700000000 ] - [ -0.0011536400000000, -0.0009331100000000, -0.0001848400000000 ] - [ -0.0011536400000000, 0.0009331100000000, -0.0001848400000000 ] - [ -0.0001849500000000, 0.0000000000000000, -0.0002911200000000 ] - [ -0.0001775000000000, -0.0000896600000000, -0.0001817300000000 ] - [ -0.0001775000000000, 0.0000896600000000, -0.0001817300000000 ] - [ -0.0073882400000000, 0.0053001300000000, -0.0019250200000000 ] - [ -0.0004796200000000, 0.0000000000000000, 0.0010168400000000 ] - [ -0.0073882400000000, -0.0053001300000000, -0.0019250200000000 ] - [ -0.0002582400000000, 0.0008217000000000, 0.0011389900000000 ] - [ 0.0000708000000000, 0.0000000000000000, 0.0003148300000000 ] - [ -0.0002582400000000, -0.0008217000000000, 0.0011389900000000 ] - [ -0.0000560900000000, 0.0000873900000000, -0.0003852000000000 ] - [ -0.0000184800000000, 0.0000000000000000, -0.0002397200000000 ] - [ -0.0000560900000000, -0.0000873900000000, -0.0003852000000000 ] - [ -0.0091444200000000, -0.0082357100000000, 0.0019721800000000 ] - [ 0.0001141500000000, 0.0000000000000000, 0.0006991000000000 ] - [ -0.0091444200000000, 0.0082357100000000, 0.0019721800000000 ] - [ -0.0008012700000000, -0.0000992500000000, -0.0025439200000000 ] - [ -0.0001566800000000, 0.0000000000000000, -0.0008489600000000 ] - [ -0.0008012700000000, 0.0000992500000000, -0.0025439200000000 ] - [ -0.0001508200000000, 0.0000132500000000, -0.0003346800000000 ] - [ -0.0001907700000000, 0.0000000000000000, -0.0002744900000000 ] - [ -0.0001508200000000, -0.0000132500000000, -0.0003346800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000270000000000, 0.0058178700000000, 0.0004801300000000 ] - [ 0.0039415200000000, -0.0029136400000000, 0.0014806700000000 ] - [ -0.0039593700000000, -0.0029189400000000, -0.0005232500000000 ] - [ -0.0000772200000000, 0.0019798400000000, 0.0004883900000000 ] - [ 0.0007190500000000, -0.0010437300000000, -0.0003526900000000 ] - [ -0.0007936200000000, -0.0010638700000000, 0.0013110700000000 ] - [ -0.0000369300000000, 0.0005135000000000, 0.0004941500000000 ] - [ 0.0000512900000000, -0.0002559700000000, 0.0006309800000000 ] - [ -0.0001210900000000, -0.0002591200000000, 0.0003576400000000 ] - [ -0.0000422800000000, 0.0088028800000000, -0.0004773600000000 ] - [ -0.0016352400000000, -0.0043458700000000, 0.0021785500000000 ] - [ 0.0015422100000000, -0.0043372400000000, -0.0031244100000000 ] - [ -0.0000230200000000, 0.0170934800000000, -0.0004894800000000 ] - [ -0.0045507800000000, -0.0054252300000000, -0.0047681400000000 ] - [ 0.0044158400000000, -0.0054829500000000, 0.0037263300000000 ] - [ -0.0000335200000000, 0.0009676200000000, -0.0004690200000000 ] - [ -0.0000570700000000, -0.0004810800000000, -0.0007277500000000 ] - [ -0.0000138200000000, -0.0004896600000000, -0.0002189700000000 ] - [ -0.0079939400000000, 0.0329242100000000, -0.0161646100000000 ] - [ 0.0000333000000000, -0.0151237400000000, -0.0004827200000000 ] - [ 0.0073501100000000, 0.0311995800000000, 0.0135310300000000 ] - [ 0.0014583700000000, 0.0011663900000000, -0.0031684300000000 ] - [ 0.0000355100000000, -0.0022259900000000, -0.0004914800000000 ] - [ -0.0013806400000000, 0.0010878300000000, 0.0022555900000000 ] - [ 0.0001800500000000, 0.0009042500000000, 0.0002431600000000 ] - [ 0.0000360400000000, -0.0018113500000000, -0.0004687000000000 ] - [ -0.0001070000000000, 0.0008974400000000, -0.0011837000000000 ] - [ -0.0018336800000000, 0.0013649900000000, -0.0004797200000000 ] - [ 0.0000369000000000, -0.0026317200000000, 0.0004738600000000 ] - [ 0.0019375400000000, 0.0013362000000000, 0.0014111500000000 ] - [ -0.0002624200000000, 0.0003342900000000, 0.0002597400000000 ] - [ 0.0000371100000000, -0.0006668700000000, 0.0004894400000000 ] - [ 0.0003393800000000, 0.0003199100000000, 0.0007291100000000 ] - [ -0.0000864400000000, 0.0004814500000000, 0.0010148400000000 ] - [ 0.0000359300000000, -0.0009532200000000, 0.0004910900000000 ] - [ 0.0001575200000000, 0.0004798600000000, -0.0000361200000000 ] - [ -0.0000426300000000, 0.0001468600000000, 0.0010029200000000 ] - [ -0.0014466300000000, 0.0004420700000000, 0.0030350400000000 ] - [ 0.0013373200000000, 0.0004413900000000, -0.0010118700000000 ] - [ -0.0001394500000000, 0.0118878000000000, 0.0011457300000000 ] - [ 0.0015190400000000, -0.0009119900000000, -0.0014977700000000 ] - [ -0.0015966600000000, -0.0009132800000000, 0.0034588000000000 ] - [ -0.0000530600000000, -0.0000028900000000, 0.0010075400000000 ] - [ -0.0000081400000000, -0.0000004500000000, 0.0009134400000000 ] - [ -0.0000950200000000, -0.0000006800000000, 0.0010952300000000 ] - [ -0.0000507600000000, 0.0003602700000000, -0.0010062600000000 ] - [ -0.0001084600000000, -0.0001778700000000, -0.0007993800000000 ] - [ 0.0000088000000000, -0.0001787400000000, -0.0012053800000000 ] - [ -0.0000482700000000, 0.0000879400000000, -0.0009881400000000 ] - [ -0.0001763600000000, -0.0000128200000000, -0.0013884700000000 ] - [ 0.0000789300000000, -0.0000140800000000, -0.0006118200000000 ] - [ -0.0000481700000000, 0.0000062500000000, -0.0009972100000000 ] - [ -0.0000505400000000, -0.0000038800000000, -0.0009897700000000 ] - [ -0.0000454700000000, -0.0000037500000000, -0.0010037800000000 ] - [ 0.0014367100000000, -0.0003510200000000, -0.0031362600000000 ] - [ 0.0000545300000000, -0.0002726000000000, -0.0010097000000000 ] - [ -0.0013352700000000, -0.0003556300000000, 0.0011104000000000 ] - [ 0.0000871800000000, -0.0000557500000000, -0.0010987100000000 ] - [ 0.0000480900000000, 0.0000404300000000, -0.0009972800000000 ] - [ 0.0000074700000000, -0.0000532900000000, -0.0008894700000000 ] - [ 0.0000546600000000, 0.0001266000000000, -0.0007376400000000 ] - [ 0.0000498900000000, -0.0002866400000000, -0.0009959300000000 ] - [ 0.0000436100000000, 0.0001252800000000, -0.0012567400000000 ] - [ -0.0020669600000000, -0.0003668000000000, 0.0015694700000000 ] - [ 0.0000429500000000, -0.0005500100000000, 0.0009940900000000 ] - [ 0.0021479100000000, -0.0003811600000000, 0.0003927700000000 ] - [ -0.0008521100000000, 0.0001157000000000, -0.0004926000000000 ] - [ 0.0000485200000000, -0.0000941600000000, 0.0009978800000000 ] - [ 0.0009596200000000, 0.0001148600000000, 0.0025075900000000 ] - [ 0.0001931900000000, 0.0000044500000000, 0.0011664200000000 ] - [ 0.0000510900000000, 0.0000082000000000, 0.0010042200000000 ] - [ -0.0000895900000000, 0.0000042600000000, 0.0008437900000000 ] - [ 0.0000915900000000, -0.1171686300000000, 0.0024783900000000 ] - [ 0.0014606300000000, 0.0158051800000000, 0.0040011800000000 ] - [ -0.0026846100000000, 0.0156522400000000, -0.0023483000000000 ] - [ -0.0006442000000000, -0.0010610900000000, 0.0007660600000000 ] - [ -0.0006137600000000, 0.0004860600000000, 0.0010554000000000 ] - [ -0.0006641500000000, 0.0005070600000000, 0.0004940300000000 ] - [ -0.0006421800000000, -0.0010608500000000, 0.0007768100000000 ] - [ -0.0004248300000000, 0.0004954700000000, -0.0013261300000000 ] - [ -0.0008468900000000, 0.0004976700000000, 0.0028671400000000 ] - [ -0.0006469700000000, -0.0022818500000000, -0.0007710300000000 ] - [ -0.0012229600000000, 0.0012186500000000, -0.0003454700000000 ] - [ -0.0000704500000000, 0.0012284600000000, -0.0011995100000000 ] - [ -0.0006333500000000, -0.0004573200000000, -0.0007991800000000 ] - [ -0.0007165400000000, 0.0002184300000000, -0.0002339300000000 ] - [ -0.0005569600000000, 0.0002243800000000, -0.0013353700000000 ] - [ -0.0006356400000000, -0.0004639600000000, -0.0007905100000000 ] - [ -0.0006114900000000, 0.0002317800000000, -0.0008481100000000 ] - [ -0.0006605500000000, 0.0002328600000000, -0.0007323700000000 ] - [ 0.0001161100000000, -0.0010975700000000, -0.0013992900000000 ] - [ 0.0006298000000000, 0.0024847800000000, -0.0007883000000000 ] - [ 0.0011495200000000, -0.0010924900000000, -0.0001771300000000 ] - [ 0.0003928700000000, -0.0004412800000000, 0.0011359900000000 ] - [ 0.0006365600000000, 0.0010328400000000, -0.0007740700000000 ] - [ 0.0008814500000000, -0.0004200300000000, -0.0026812500000000 ] - [ 0.0006652700000000, -0.0001001000000000, -0.0006486500000000 ] - [ 0.0006353100000000, 0.0002057400000000, -0.0007895100000000 ] - [ 0.0006060800000000, -0.0000976400000000, -0.0009383500000000 ] - [ 0.0096552400000000, -0.0002977100000000, -0.0089592900000000 ] - [ 0.0006519100000000, 0.0033079100000000, 0.0007780800000000 ] - [ -0.0082821800000000, -0.0002636900000000, 0.0104931800000000 ] - [ 0.0030737400000000, -0.0003293500000000, 0.0055358600000000 ] - [ 0.0006390600000000, 0.0033079000000000, 0.0007928300000000 ] - [ -0.0017877600000000, -0.0002321300000000, -0.0039866600000000 ] - [ 0.0006430800000000, -0.0002096400000000, 0.0005392300000000 ] - [ 0.0006400600000000, 0.0004210700000000, 0.0007745500000000 ] - [ 0.0006365000000000, -0.0002059700000000, 0.0010090700000000 ] - [ 0.0000399200000000, -0.0095449000000000, -0.0002613700000000 ] - [ -0.0045409500000000, 0.0106276600000000, -0.0067052000000000 ] - [ 0.0045514000000000, 0.0105251300000000, 0.0060619700000000 ] - [ 0.0001199500000000, -0.0069582100000000, -0.0004562200000000 ] - [ -0.0009888600000000, 0.0008799600000000, 0.0021696300000000 ] - [ 0.0010537800000000, 0.0008963100000000, -0.0027205800000000 ] - [ 0.0000365400000000, -0.0002692500000000, -0.0003008600000000 ] - [ -0.0000171000000000, 0.0001339400000000, -0.0002794600000000 ] - [ 0.0000883300000000, 0.0001353100000000, -0.0003173500000000 ] - [ 0.0000397300000000, -0.0010589700000000, 0.0002948200000000 ] - [ 0.0006742600000000, 0.0005229800000000, -0.0002038300000000 ] - [ -0.0005969700000000, 0.0005234300000000, 0.0007882600000000 ] - [ -0.0000232500000000, -0.0006224600000000, 0.0002878100000000 ] - [ 0.0011638800000000, 0.0006986400000000, 0.0007689600000000 ] - [ -0.0010915100000000, 0.0007096900000000, -0.0001800400000000 ] - [ 0.0000338200000000, -0.0002474900000000, 0.0002854900000000 ] - [ 0.0001141400000000, 0.0001224200000000, 0.0003211300000000 ] - [ -0.0000451800000000, 0.0001250600000000, 0.0002520900000000 ] - [ -0.0084603300000000, 0.0006500800000000, -0.0004247000000000 ] - [ -0.0000490600000000, 0.0023785400000000, 0.0003010600000000 ] - [ 0.0083334900000000, 0.0006795800000000, 0.0010472100000000 ] - [ -0.0002644800000000, -0.0003546100000000, 0.0004170600000000 ] - [ -0.0000346600000000, 0.0005687600000000, 0.0002904900000000 ] - [ 0.0002120300000000, -0.0003365700000000, 0.0001479300000000 ] - [ -0.0001435000000000, -0.0001932900000000, -0.0000658600000000 ] - [ -0.0000370600000000, 0.0004079500000000, 0.0002846600000000 ] - [ 0.0000709700000000, -0.0001913600000000, 0.0006378600000000 ] - [ 0.0083765100000000, 0.0011127300000000, 0.0014229300000000 ] - [ -0.0000269700000000, 0.0024214800000000, -0.0002819400000000 ] - [ -0.0084250100000000, 0.0011709300000000, -0.0019702500000000 ] - [ 0.0005711400000000, -0.0001639500000000, 0.0010982600000000 ] - [ -0.0000353800000000, 0.0002775200000000, -0.0002915400000000 ] - [ -0.0006472400000000, -0.0001605300000000, -0.0016994700000000 ] - [ 0.0001143000000000, -0.0005800600000000, -0.0008469700000000 ] - [ -0.0000338600000000, 0.0012504400000000, -0.0002976100000000 ] - [ -0.0001807000000000, -0.0005803600000000, 0.0002486700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0075880800000000, 0.0000000000000000, 0.0027529600000000 ] - [ -0.0039822600000000, 0.0009330400000000, 0.0020907300000000 ] - [ -0.0039822600000000, -0.0009330400000000, 0.0020907300000000 ] - [ 0.0092156400000000, 0.0000000000000000, -0.0002333100000000 ] - [ 0.0010650800000000, -0.0017421900000000, 0.0013050100000000 ] - [ 0.0010650800000000, 0.0017421900000000, 0.0013050100000000 ] - [ -0.0002454700000000, 0.0000000000000000, -0.0023487900000000 ] - [ -0.0002004000000000, -0.0002229100000000, -0.0019123700000000 ] - [ -0.0002004000000000, 0.0002229100000000, -0.0019123700000000 ] - [ 0.0035612700000000, 0.0000000000000000, -0.0059211000000000 ] - [ 0.0017206900000000, 0.0029159900000000, -0.0031254800000000 ] - [ 0.0017206900000000, -0.0029159900000000, -0.0031254800000000 ] - [ 0.0132617800000000, 0.0000000000000000, 0.0244945800000000 ] - [ 0.0009504000000000, -0.0053052200000000, 0.0056380600000000 ] - [ 0.0009504000000000, 0.0053052200000000, 0.0056380600000000 ] - [ -0.0008055000000000, 0.0000000000000000, -0.0045714800000000 ] - [ -0.0004824200000000, -0.0006596200000000, -0.0034706700000000 ] - [ -0.0004824200000000, 0.0006596200000000, -0.0034706700000000 ] - [ 0.0077737900000000, -0.0112585300000000, 0.0287288700000000 ] - [ 0.0009832200000000, 0.0000000000000000, 0.0029610700000000 ] - [ 0.0077737900000000, 0.0112585300000000, 0.0287288700000000 ] - [ 0.0000167100000000, -0.0076560700000000, -0.0079068900000000 ] - [ 0.0002577000000000, 0.0000000000000000, -0.0003395900000000 ] - [ 0.0000167100000000, 0.0076560700000000, -0.0079068900000000 ] - [ -0.0000381400000000, 0.0005238100000000, -0.0044759400000000 ] - [ 0.0000293600000000, 0.0000000000000000, -0.0037005400000000 ] - [ -0.0000381400000000, -0.0005238100000000, -0.0044759400000000 ] - [ -0.0016601600000000, -0.0021000700000000, 0.0051104300000000 ] - [ -0.0003735700000000, 0.0000000000000000, 0.0029700600000000 ] - [ -0.0016601600000000, 0.0021000700000000, 0.0051104300000000 ] - [ -0.0005979500000000, -0.0011831400000000, -0.0017157700000000 ] - [ -0.0003170500000000, 0.0000000000000000, -0.0009215400000000 ] - [ -0.0005979500000000, 0.0011831400000000, -0.0017157700000000 ] - [ 0.0003529600000000, 0.0001335600000000, -0.0010059600000000 ] - [ 0.0003148700000000, 0.0000000000000000, -0.0007076400000000 ] - [ 0.0003529600000000, -0.0001335600000000, -0.0010059600000000 ] - [ 0.0035865100000000, 0.0000000000000000, -0.0022431700000000 ] - [ 0.0011650800000000, -0.0003386200000000, -0.0006492100000000 ] - [ 0.0011650800000000, 0.0003386200000000, -0.0006492100000000 ] - [ 0.0170994600000000, 0.0000000000000000, -0.0135225100000000 ] - [ -0.0010835800000000, -0.0006665100000000, 0.0035121600000000 ] - [ -0.0010835800000000, 0.0006665100000000, 0.0035121600000000 ] - [ 0.0009022400000000, 0.0000000000000000, -0.0008829600000000 ] - [ 0.0006270500000000, -0.0000291500000000, -0.0003365000000000 ] - [ 0.0006270500000000, 0.0000291500000000, -0.0003365000000000 ] - [ 0.0003990600000000, 0.0000000000000000, 0.0000132200000000 ] - [ 0.0002434400000000, 0.0000278700000000, -0.0001732800000000 ] - [ 0.0002434400000000, -0.0000278700000000, -0.0001732800000000 ] - [ 0.0000689200000000, 0.0000000000000000, -0.0029127800000000 ] - [ -0.0001392700000000, -0.0001900800000000, -0.0009302000000000 ] - [ -0.0001392700000000, 0.0001900800000000, -0.0009302000000000 ] - [ -0.0004656200000000, 0.0000000000000000, -0.0021171700000000 ] - [ -0.0004063600000000, 0.0000214500000000, -0.0019640600000000 ] - [ -0.0004063600000000, -0.0000214500000000, -0.0019640600000000 ] - [ -0.0005193900000000, -0.0002034400000000, 0.0022586100000000 ] - [ -0.0006518600000000, 0.0000000000000000, 0.0005398200000000 ] - [ -0.0005193900000000, 0.0002034400000000, 0.0022586100000000 ] - [ 0.0005883500000000, 0.0002536900000000, -0.0025192100000000 ] - [ 0.0003739700000000, 0.0000000000000000, -0.0017262200000000 ] - [ 0.0005883500000000, -0.0002536900000000, -0.0025192100000000 ] - [ -0.0000233700000000, 0.0001489600000000, -0.0018008600000000 ] - [ 0.0000316000000000, 0.0000000000000000, -0.0016551000000000 ] - [ -0.0000233700000000, -0.0001489600000000, -0.0018008600000000 ] - [ 0.0030231400000000, 0.0010054300000000, 0.0048850600000000 ] - [ 0.0010311500000000, 0.0000000000000000, 0.0024560200000000 ] - [ 0.0030231400000000, -0.0010054300000000, 0.0048850600000000 ] - [ -0.0015783600000000, -0.0000099400000000, -0.0018159900000000 ] - [ -0.0001059900000000, 0.0000000000000000, 0.0009078400000000 ] - [ -0.0015783600000000, 0.0000099400000000, -0.0018159900000000 ] - [ -0.0005701700000000, 0.0000036800000000, -0.0002936600000000 ] - [ -0.0004824600000000, 0.0000000000000000, -0.0001442900000000 ] - [ -0.0005701700000000, -0.0000036800000000, -0.0002936600000000 ] - [ -0.0482763600000000, 0.0000000000000000, -0.1268421100000000 ] - [ -0.0041401600000000, -0.0031910600000000, -0.0073856100000000 ] - [ -0.0041401600000000, 0.0031910600000000, -0.0073856100000000 ] - [ 0.0008698900000000, 0.0000000000000000, 0.0052032800000000 ] - [ -0.0000686300000000, 0.0021007300000000, 0.0034608100000000 ] - [ -0.0000686300000000, -0.0021007300000000, 0.0034608100000000 ] - [ -0.0008752000000000, 0.0000000000000000, 0.0051960900000000 ] - [ -0.0003679500000000, -0.0002801100000000, 0.0034622600000000 ] - [ -0.0003679500000000, 0.0002801100000000, 0.0034622600000000 ] - [ 0.0019107500000000, 0.0000000000000000, -0.0044585300000000 ] - [ 0.0010601700000000, 0.0004256000000000, -0.0033512200000000 ] - [ 0.0010601700000000, -0.0004256000000000, -0.0033512200000000 ] - [ -0.0017192700000000, 0.0000000000000000, 0.0022597700000000 ] - [ -0.0009101200000000, 0.0005518800000000, -0.0004151900000000 ] - [ -0.0009101200000000, -0.0005518800000000, -0.0004151900000000 ] - [ -0.0010077100000000, 0.0000000000000000, 0.0010009600000000 ] - [ -0.0010067800000000, -0.0000576000000000, 0.0007802700000000 ] - [ -0.0010067800000000, 0.0000576000000000, 0.0007802700000000 ] - [ 0.0019005400000000, -0.0006086600000000, -0.0000420600000000 ] - [ 0.0016015600000000, 0.0000000000000000, -0.0002087100000000 ] - [ 0.0019005400000000, 0.0006086600000000, -0.0000420600000000 ] - [ 0.0002775700000000, 0.0019131700000000, -0.0038015700000000 ] - [ 0.0004038400000000, 0.0000000000000000, -0.0027222800000000 ] - [ 0.0002775700000000, -0.0019131700000000, -0.0038015700000000 ] - [ 0.0010383900000000, 0.0001453400000000, 0.0015693300000000 ] - [ 0.0010819000000000, 0.0000000000000000, 0.0007267300000000 ] - [ 0.0010383900000000, -0.0001453400000000, 0.0015693300000000 ] - [ -0.0073976100000000, -0.0047455000000000, 0.0066635200000000 ] - [ -0.0002908100000000, 0.0000000000000000, -0.0002002600000000 ] - [ -0.0073976100000000, 0.0047455000000000, 0.0066635200000000 ] - [ 0.0031506900000000, 0.0097523300000000, 0.0066858900000000 ] - [ 0.0007485200000000, 0.0000000000000000, -0.0002102900000000 ] - [ 0.0031506900000000, -0.0097523300000000, 0.0066858900000000 ] - [ -0.0001145500000000, 0.0002357400000000, 0.0035617600000000 ] - [ 0.0000395700000000, 0.0000000000000000, 0.0031602400000000 ] - [ -0.0001145500000000, -0.0002357400000000, 0.0035617600000000 ] - [ 0.0091967200000000, 0.0000000000000000, 0.0141632700000000 ] - [ 0.0029958100000000, -0.0053562500000000, 0.0039373900000000 ] - [ 0.0029958100000000, 0.0053562500000000, 0.0039373900000000 ] - [ -0.0243463000000000, 0.0000000000000000, 0.0381453700000000 ] - [ -0.0001830500000000, 0.0018336300000000, -0.0021827500000000 ] - [ -0.0001830500000000, -0.0018336300000000, -0.0021827500000000 ] - [ -0.0002191300000000, 0.0000000000000000, 0.0022037200000000 ] - [ -0.0001054400000000, -0.0000063200000000, 0.0016483300000000 ] - [ -0.0001054400000000, 0.0000063200000000, 0.0016483300000000 ] - [ -0.0013805600000000, 0.0000000000000000, 0.0000503700000000 ] - [ -0.0008619700000000, -0.0002441100000000, -0.0000313600000000 ] - [ -0.0008619700000000, 0.0002441100000000, -0.0000313600000000 ] - [ 0.0108012800000000, 0.0000000000000000, 0.0009980800000000 ] - [ 0.0004267700000000, 0.0007827100000000, -0.0007476700000000 ] - [ 0.0004267700000000, -0.0007827100000000, -0.0007476700000000 ] - [ 0.0005210000000000, 0.0000000000000000, 0.0019765300000000 ] - [ 0.0003301700000000, 0.0002575600000000, 0.0016687600000000 ] - [ 0.0003301700000000, -0.0002575600000000, 0.0016687600000000 ] - [ 0.0047162100000000, -0.0010131200000000, -0.0037873300000000 ] - [ 0.0011939400000000, 0.0000000000000000, -0.0016890800000000 ] - [ 0.0047162100000000, 0.0010131200000000, -0.0037873300000000 ] - [ -0.0022328700000000, 0.0017584900000000, 0.0024940300000000 ] - [ -0.0004767100000000, 0.0000000000000000, 0.0008179200000000 ] - [ -0.0022328700000000, -0.0017584900000000, 0.0024940300000000 ] - [ 0.0003349600000000, -0.0001011400000000, 0.0018887800000000 ] - [ 0.0002409600000000, 0.0000000000000000, 0.0016040900000000 ] - [ 0.0003349600000000, 0.0001011400000000, 0.0018887800000000 ] - [ -0.0001909800000000, 0.0020926900000000, -0.0066755800000000 ] - [ -0.0004431000000000, 0.0000000000000000, -0.0026503200000000 ] - [ -0.0001909800000000, -0.0020926900000000, -0.0066755800000000 ] - [ 0.0011127600000000, 0.0002972600000000, 0.0027837200000000 ] - [ 0.0002228300000000, 0.0000000000000000, 0.0003285000000000 ] - [ 0.0011127600000000, -0.0002972600000000, 0.0027837200000000 ] - [ -0.0006292100000000, -0.0003469300000000, 0.0016680000000000 ] - [ -0.0006379300000000, 0.0000000000000000, 0.0014284500000000 ] - [ -0.0006292100000000, 0.0003469300000000, 0.0016680000000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0075344600000000, 0.0000000000000000, -0.0018203800000000 ] - [ 0.0039077900000000, -0.0009296400000000, -0.0011309900000000 ] - [ 0.0039077900000000, 0.0009296400000000, -0.0011309900000000 ] - [ -0.0092424000000000, 0.0000000000000000, 0.0012122700000000 ] - [ -0.0011352000000000, 0.0017357700000000, -0.0003234300000000 ] - [ -0.0011352000000000, -0.0017357700000000, -0.0003234300000000 ] - [ 0.0001773900000000, 0.0000000000000000, 0.0033164700000000 ] - [ 0.0001335000000000, 0.0002204600000000, 0.0028802700000000 ] - [ 0.0001335000000000, -0.0002204600000000, 0.0028802700000000 ] - [ -0.0036440500000000, 0.0000000000000000, 0.0049412100000000 ] - [ -0.0017913700000000, -0.0029194100000000, 0.0021487100000000 ] - [ -0.0017913700000000, 0.0029194100000000, 0.0021487100000000 ] - [ -0.0121743500000000, 0.0000000000000000, -0.0249463600000000 ] - [ -0.0010146800000000, 0.0053138900000000, -0.0065701800000000 ] - [ -0.0010146800000000, -0.0053138900000000, -0.0065701800000000 ] - [ 0.0007315500000000, 0.0000000000000000, 0.0035938500000000 ] - [ 0.0004108100000000, 0.0006568000000000, 0.0024966100000000 ] - [ 0.0004108100000000, -0.0006568000000000, 0.0024966100000000 ] - [ -0.0080871100000000, 0.0124392400000000, -0.0302824300000000 ] - [ -0.0009149500000000, 0.0000000000000000, -0.0039514200000000 ] - [ -0.0080871100000000, -0.0124392400000000, -0.0302824300000000 ] - [ 0.0000402300000000, 0.0076225000000000, 0.0069301300000000 ] - [ -0.0001877100000000, 0.0000000000000000, -0.0006207000000000 ] - [ 0.0000402300000000, -0.0076225000000000, 0.0069301300000000 ] - [ 0.0001074300000000, -0.0005275200000000, 0.0035029500000000 ] - [ 0.0000398800000000, 0.0000000000000000, 0.0027259200000000 ] - [ 0.0001074300000000, 0.0005275200000000, 0.0035029500000000 ] - [ 0.0017498700000000, 0.0020922600000000, -0.0041172000000000 ] - [ 0.0004453700000000, 0.0000000000000000, -0.0019924200000000 ] - [ 0.0017498700000000, -0.0020922600000000, -0.0041172000000000 ] - [ 0.0006668200000000, 0.0011782400000000, 0.0026853000000000 ] - [ 0.0003871000000000, 0.0000000000000000, 0.0018949600000000 ] - [ 0.0006668200000000, -0.0011782400000000, 0.0026853000000000 ] - [ -0.0002822300000000, -0.0001327000000000, 0.0019721400000000 ] - [ -0.0002504400000000, 0.0000000000000000, 0.0016734900000000 ] - [ -0.0002822300000000, 0.0001327000000000, 0.0019721400000000 ] - [ -0.0037070300000000, 0.0000000000000000, 0.0042434500000000 ] - [ -0.0012635800000000, 0.0003381300000000, 0.0026459900000000 ] - [ -0.0012635800000000, -0.0003381300000000, 0.0026459900000000 ] - [ -0.0171972600000000, 0.0000000000000000, 0.0156182500000000 ] - [ 0.0009795700000000, 0.0006704100000000, -0.0015002600000000 ] - [ 0.0009795700000000, -0.0006704100000000, -0.0015002600000000 ] - [ -0.0010001300000000, 0.0000000000000000, 0.0028813000000000 ] - [ -0.0007252300000000, 0.0000290300000000, 0.0023354200000000 ] - [ -0.0007252300000000, -0.0000290300000000, 0.0023354200000000 ] - [ -0.0004979700000000, 0.0000000000000000, -0.0020198800000000 ] - [ -0.0003426900000000, -0.0000274400000000, -0.0018303600000000 ] - [ -0.0003426900000000, 0.0000274400000000, -0.0018303600000000 ] - [ -0.0001586200000000, 0.0000000000000000, 0.0009123500000000 ] - [ 0.0000414000000000, 0.0001888400000000, -0.0010666300000000 ] - [ 0.0000414000000000, -0.0001888400000000, -0.0010666300000000 ] - [ 0.0003651700000000, 0.0000000000000000, 0.0001126000000000 ] - [ 0.0003064400000000, -0.0000214200000000, -0.0000391500000000 ] - [ 0.0003064400000000, 0.0000214200000000, -0.0000391500000000 ] - [ 0.0006010000000000, 0.0002102100000000, -0.0042450300000000 ] - [ 0.0007491900000000, 0.0000000000000000, -0.0025379400000000 ] - [ 0.0006010000000000, -0.0002102100000000, -0.0042450300000000 ] - [ -0.0004882400000000, -0.0002524300000000, 0.0005151800000000 ] - [ -0.0002751000000000, 0.0000000000000000, -0.0002733000000000 ] - [ -0.0004882400000000, 0.0002524300000000, 0.0005151800000000 ] - [ 0.0001257200000000, -0.0001506800000000, -0.0002022000000000 ] - [ 0.0000690500000000, 0.0000000000000000, -0.0003487500000000 ] - [ 0.0001257200000000, 0.0001506800000000, -0.0002022000000000 ] - [ -0.0029151100000000, -0.0009903700000000, -0.0029110100000000 ] - [ -0.0009321700000000, 0.0000000000000000, -0.0004584000000000 ] - [ -0.0029151100000000, 0.0009903700000000, -0.0029110100000000 ] - [ 0.0016744200000000, 0.0000111700000000, 0.0038086300000000 ] - [ 0.0002062400000000, 0.0000000000000000, 0.0010960000000000 ] - [ 0.0016744200000000, -0.0000111700000000, 0.0038086300000000 ] - [ 0.0006683700000000, -0.0000039100000000, 0.0022933400000000 ] - [ 0.0005809200000000, 0.0000000000000000, 0.0021437500000000 ] - [ 0.0006683700000000, 0.0000039100000000, 0.0022933400000000 ] - [ 0.0471336600000000, 0.0000000000000000, 0.1284507100000000 ] - [ 0.0028678400000000, 0.0031579600000000, 0.0089709600000000 ] - [ 0.0028678400000000, -0.0031579600000000, 0.0089709600000000 ] - [ -0.0021410500000000, 0.0000000000000000, -0.0036221200000000 ] - [ -0.0012088000000000, -0.0020924600000000, -0.0018872100000000 ] - [ -0.0012088000000000, 0.0020924600000000, -0.0018872100000000 ] - [ -0.0003951000000000, 0.0000000000000000, -0.0036295600000000 ] - [ -0.0009093300000000, 0.0002813900000000, -0.0018862200000000 ] - [ -0.0009093300000000, -0.0002813900000000, -0.0018862200000000 ] - [ -0.0031949500000000, 0.0000000000000000, 0.0028903200000000 ] - [ -0.0023376000000000, -0.0004280800000000, 0.0017794700000000 ] - [ -0.0023376000000000, 0.0004280800000000, 0.0017794700000000 ] - [ 0.0004323400000000, 0.0000000000000000, -0.0038188100000000 ] - [ -0.0003681300000000, -0.0005494600000000, -0.0011598500000000 ] - [ -0.0003681300000000, 0.0005494600000000, -0.0011598500000000 ] - [ -0.0002721100000000, 0.0000000000000000, -0.0025674400000000 ] - [ -0.0002724900000000, 0.0000584900000000, -0.0023478000000000 ] - [ -0.0002724900000000, -0.0000584900000000, -0.0023478000000000 ] - [ -0.0006243000000000, 0.0006133100000000, -0.0015212000000000 ] - [ -0.0003194800000000, 0.0000000000000000, -0.0013546300000000 ] - [ -0.0006243000000000, -0.0006133100000000, -0.0015212000000000 ] - [ 0.0009963000000000, -0.0019039200000000, 0.0022118600000000 ] - [ 0.0008727700000000, 0.0000000000000000, 0.0011444500000000 ] - [ 0.0009963000000000, 0.0019039200000000, 0.0022118600000000 ] - [ 0.0002390800000000, -0.0001444500000000, -0.0031373200000000 ] - [ 0.0001961900000000, 0.0000000000000000, -0.0022978000000000 ] - [ 0.0002390800000000, 0.0001444500000000, -0.0031373200000000 ] - [ 0.0087096400000000, 0.0047777800000000, -0.0051122800000000 ] - [ 0.0015634100000000, 0.0000000000000000, 0.0017813800000000 ] - [ 0.0087096400000000, -0.0047777800000000, -0.0051122800000000 ] - [ -0.0018481700000000, -0.0096999900000000, -0.0050888900000000 ] - [ 0.0005311100000000, 0.0000000000000000, 0.0017713700000000 ] - [ -0.0018481700000000, 0.0096999900000000, -0.0050888900000000 ] - [ 0.0013929700000000, -0.0002339600000000, -0.0019876700000000 ] - [ 0.0012383800000000, 0.0000000000000000, -0.0015867200000000 ] - [ 0.0013929700000000, 0.0002339600000000, -0.0019876700000000 ] - [ -0.0093028500000000, 0.0000000000000000, -0.0149605200000000 ] - [ -0.0029232800000000, 0.0053589800000000, -0.0045376100000000 ] - [ -0.0029232800000000, -0.0053589800000000, -0.0045376100000000 ] - [ 0.0239460100000000, 0.0000000000000000, -0.0380860900000000 ] - [ 0.0002548900000000, -0.0018316400000000, 0.0015781400000000 ] - [ 0.0002548900000000, 0.0018316400000000, 0.0015781400000000 ] - [ 0.0002886600000000, 0.0000000000000000, -0.0027929600000000 ] - [ 0.0001749900000000, 0.0000072100000000, -0.0022380000000000 ] - [ 0.0001749900000000, -0.0000072100000000, -0.0022380000000000 ] - [ 0.0014516900000000, 0.0000000000000000, 0.0005486900000000 ] - [ 0.0009331100000000, 0.0002444200000000, 0.0006266700000000 ] - [ 0.0009331100000000, -0.0002444200000000, 0.0006266700000000 ] - [ -0.0106720100000000, 0.0000000000000000, -0.0003846800000000 ] - [ -0.0003585600000000, -0.0007824800000000, 0.0013305800000000 ] - [ -0.0003585600000000, 0.0007824800000000, 0.0013305800000000 ] - [ -0.0004488300000000, 0.0000000000000000, -0.0013810800000000 ] - [ -0.0002592900000000, -0.0002563700000000, -0.0010751200000000 ] - [ -0.0002592900000000, 0.0002563700000000, -0.0010751200000000 ] - [ -0.0047549900000000, 0.0009857100000000, 0.0044098500000000 ] - [ -0.0012597700000000, 0.0000000000000000, 0.0022799600000000 ] - [ -0.0047549900000000, -0.0009857100000000, 0.0044098500000000 ] - [ 0.0021552200000000, -0.0017466900000000, -0.0018955300000000 ] - [ 0.0004077100000000, 0.0000000000000000, -0.0002296000000000 ] - [ 0.0021552200000000, 0.0017466900000000, -0.0018955300000000 ] - [ -0.0004076100000000, 0.0001032200000000, -0.0012959200000000 ] - [ -0.0003123700000000, 0.0000000000000000, -0.0010090600000000 ] - [ -0.0004076100000000, -0.0001032200000000, -0.0012959200000000 ] - [ 0.0000514200000000, -0.0021245800000000, 0.0060632600000000 ] - [ 0.0003712600000000, 0.0000000000000000, 0.0020563300000000 ] - [ 0.0000514200000000, 0.0021245800000000, 0.0060632600000000 ] - [ -0.0011794000000000, -0.0002964300000000, -0.0033677800000000 ] - [ -0.0002924900000000, 0.0000000000000000, -0.0009224300000000 ] - [ -0.0011794000000000, 0.0002964300000000, -0.0033677800000000 ] - [ 0.0005600800000000, 0.0003472200000000, -0.0022571900000000 ] - [ 0.0005707100000000, 0.0000000000000000, -0.0020180300000000 ] - [ 0.0005600800000000, -0.0003472200000000, -0.0022571900000000 ]- atom: 109 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0219389000000000, 0.0000000000000000, 0.0028399500000000 ] - [ 0.0010510600000000, 0.0052914000000000, 0.0014482300000000 ] - [ 0.0010510600000000, -0.0052914000000000, 0.0014482300000000 ] - [ 0.0009687900000000, 0.0000000000000000, 0.0019700100000000 ] - [ 0.0006243500000000, 0.0006129000000000, 0.0014403900000000 ] - [ 0.0006243500000000, -0.0006129000000000, 0.0014403900000000 ] - [ 0.0008527300000000, 0.0000000000000000, -0.0013988900000000 ] - [ 0.0006233400000000, 0.0005429800000000, -0.0004591800000000 ] - [ 0.0006233400000000, -0.0005429800000000, -0.0004591800000000 ] - [ -0.0127080100000000, 0.0000000000000000, 0.0036681400000000 ] - [ -0.0020311800000000, -0.0032883200000000, 0.0016751100000000 ] - [ -0.0020311800000000, 0.0032883200000000, 0.0016751100000000 ] - [ -0.0032359000000000, 0.0000000000000000, -0.0024816000000000 ] - [ -0.0020704300000000, -0.0000762200000000, -0.0017560200000000 ] - [ -0.0020704300000000, 0.0000762200000000, -0.0017560200000000 ] - [ -0.0008202300000000, 0.0000000000000000, 0.0005244700000000 ] - [ -0.0005532200000000, -0.0003749700000000, 0.0000443500000000 ] - [ -0.0005532200000000, 0.0003749700000000, 0.0000443500000000 ] - [ 0.0159940700000000, -0.0007179700000000, -0.0008040000000000 ] - [ 0.0029470600000000, 0.0000000000000000, 0.0006947200000000 ] - [ 0.0159940700000000, 0.0007179700000000, -0.0008040000000000 ] - [ 0.0007099500000000, -0.0001401300000000, -0.0006194000000000 ] - [ 0.0006700300000000, 0.0000000000000000, -0.0006196400000000 ] - [ 0.0007099500000000, 0.0001401300000000, -0.0006194000000000 ] - [ 0.0035392100000000, -0.0046467800000000, 0.0022258700000000 ] - [ 0.0010467700000000, 0.0000000000000000, 0.0000789600000000 ] - [ 0.0035392100000000, 0.0046467800000000, 0.0022258700000000 ] - [ -0.0029538100000000, 0.0036068500000000, 0.0031889200000000 ] - [ -0.0013254800000000, 0.0000000000000000, 0.0013029500000000 ] - [ -0.0029538100000000, -0.0036068500000000, 0.0031889200000000 ] - [ -0.0005484600000000, 0.0000892000000000, 0.0006548800000000 ] - [ -0.0004760400000000, 0.0000000000000000, 0.0006002100000000 ] - [ -0.0005484600000000, -0.0000892000000000, 0.0006548800000000 ] - [ -0.0054489600000000, 0.0005362000000000, -0.0025680500000000 ] - [ -0.0020456100000000, 0.0000000000000000, -0.0001666800000000 ] - [ -0.0054489600000000, -0.0005362000000000, -0.0025680500000000 ] - [ 0.0533672100000000, 0.0000000000000000, -0.0913400200000000 ] - [ 0.0005616100000000, -0.0001494800000000, 0.0005715100000000 ] - [ 0.0005616100000000, 0.0001494800000000, 0.0005715100000000 ] - [ 0.0015215500000000, 0.0000000000000000, -0.0003387600000000 ] - [ 0.0007091500000000, 0.0001032400000000, 0.0002651700000000 ] - [ 0.0007091500000000, -0.0001032400000000, 0.0002651700000000 ] - [ -0.0002030200000000, 0.0000000000000000, 0.0011621500000000 ] - [ -0.0000834800000000, -0.0000057400000000, 0.0010546400000000 ] - [ -0.0000834800000000, 0.0000057400000000, 0.0010546400000000 ] - [ -0.0018667300000000, 0.0000000000000000, -0.0031187200000000 ] - [ -0.0007668700000000, 0.0000985600000000, -0.0014731200000000 ] - [ -0.0007668700000000, -0.0000985600000000, -0.0014731200000000 ] - [ 0.0001631700000000, 0.0000000000000000, -0.0008221200000000 ] - [ -0.0000135800000000, 0.0000150200000000, -0.0009116600000000 ] - [ -0.0000135800000000, -0.0000150200000000, -0.0009116600000000 ] - [ -0.0005122500000000, 0.0000000000000000, -0.0015720400000000 ] - [ -0.0003677200000000, -0.0000184100000000, -0.0013637800000000 ] - [ -0.0003677200000000, 0.0000184100000000, -0.0013637800000000 ] - [ -0.0007424600000000, -0.0011558000000000, 0.0010065500000000 ] - [ -0.0000093600000000, 0.0000000000000000, -0.0007703600000000 ] - [ -0.0007424600000000, 0.0011558000000000, 0.0010065500000000 ] - [ 0.0001206700000000, -0.0000085700000000, -0.0010468500000000 ] - [ 0.0001094200000000, 0.0000000000000000, -0.0010307000000000 ] - [ 0.0001206700000000, 0.0000085700000000, -0.0010468500000000 ] - [ 0.0009216500000000, 0.0008745300000000, -0.0040434400000000 ] - [ 0.0005030000000000, 0.0000000000000000, -0.0015786100000000 ] - [ 0.0009216500000000, -0.0008745300000000, -0.0040434400000000 ] - [ -0.0014806600000000, 0.0002500600000000, -0.0014274800000000 ] - [ -0.0004169700000000, 0.0000000000000000, 0.0006393000000000 ] - [ -0.0014806600000000, -0.0002500600000000, -0.0014274800000000 ] - [ -0.0001145100000000, 0.0000138300000000, 0.0008305500000000 ] - [ -0.0001072800000000, 0.0000000000000000, 0.0008332800000000 ] - [ -0.0001145100000000, -0.0000138300000000, 0.0008305500000000 ] - [ -0.0000762500000000, -0.0001710900000000, 0.0010753300000000 ] - [ 0.0000803000000000, 0.0000000000000000, 0.0011198600000000 ] - [ -0.0000762500000000, 0.0001710900000000, 0.0010753300000000 ] - [ -0.0003251300000000, 0.0000000000000000, 0.0100057800000000 ] - [ 0.0008099800000000, 0.0045178900000000, 0.0037202200000000 ] - [ 0.0008099800000000, -0.0045178900000000, 0.0037202200000000 ] - [ -0.0007718600000000, 0.0000000000000000, 0.0005368100000000 ] - [ -0.0007943900000000, 0.0000525700000000, 0.0006487500000000 ] - [ -0.0007943900000000, -0.0000525700000000, 0.0006487500000000 ] - [ 0.0062420900000000, 0.0000000000000000, -0.0232959900000000 ] - [ -0.0014255400000000, 0.0010126000000000, 0.0005647900000000 ] - [ -0.0014255400000000, -0.0010126000000000, 0.0005647900000000 ] - [ 0.0121292700000000, 0.0000000000000000, -0.0114409800000000 ] - [ 0.0005475600000000, -0.0011192900000000, -0.0011784100000000 ] - [ 0.0005475600000000, 0.0011192900000000, -0.0011784100000000 ] - [ -0.0004203000000000, 0.0000000000000000, -0.0012664000000000 ] - [ -0.0004281300000000, -0.0000795500000000, -0.0010781800000000 ] - [ -0.0004281300000000, 0.0000795500000000, -0.0010781800000000 ] - [ -0.0002119700000000, 0.0000000000000000, 0.0006184500000000 ] - [ -0.0003050500000000, -0.0006326000000000, 0.0001025800000000 ] - [ -0.0003050500000000, 0.0006326000000000, 0.0001025800000000 ] - [ 0.0079449500000000, -0.0083275600000000, 0.0039043100000000 ] - [ 0.0010965400000000, 0.0000000000000000, 0.0004347000000000 ] - [ 0.0079449500000000, 0.0083275600000000, 0.0039043100000000 ] - [ 0.0008632100000000, -0.0002364600000000, -0.0029675300000000 ] - [ 0.0005375000000000, 0.0000000000000000, -0.0012262700000000 ] - [ 0.0008632100000000, 0.0002364600000000, -0.0029675300000000 ] - [ 0.0006648100000000, -0.0001076100000000, -0.0004144600000000 ] - [ 0.0006273500000000, 0.0000000000000000, -0.0005095400000000 ] - [ 0.0006648100000000, 0.0001076100000000, -0.0004144600000000 ] - [ 0.0098558600000000, 0.0084674900000000, 0.0009051600000000 ] - [ 0.0004764900000000, 0.0000000000000000, 0.0011972800000000 ] - [ 0.0098558600000000, -0.0084674900000000, 0.0009051600000000 ] - [ 0.0007517400000000, 0.0001473300000000, 0.0013800900000000 ] - [ 0.0007908600000000, 0.0000000000000000, 0.0013888400000000 ] - [ 0.0007517400000000, -0.0001473300000000, 0.0013800900000000 ] - [ 0.0014006500000000, 0.0006039300000000, -0.0003502900000000 ] - [ 0.0007600300000000, 0.0000000000000000, 0.0005290600000000 ] - [ 0.0014006500000000, -0.0006039300000000, -0.0003502900000000 ] - [ -0.1434646700000000, 0.0000000000000000, 0.1121939200000000 ] - [ -0.0031213900000000, -0.0000148500000000, -0.0005285400000000 ] - [ -0.0031213900000000, 0.0000148500000000, -0.0005285400000000 ] - [ -0.0014727500000000, 0.0000000000000000, 0.0007367200000000 ] - [ -0.0008537400000000, -0.0000891500000000, 0.0001136400000000 ] - [ -0.0008537400000000, 0.0000891500000000, 0.0001136400000000 ] - [ -0.0014716000000000, 0.0000000000000000, -0.0010126600000000 ] - [ -0.0008551700000000, 0.0003544500000000, -0.0006510300000000 ] - [ -0.0008551700000000, -0.0003544500000000, -0.0006510300000000 ] - [ 0.0039074500000000, 0.0000000000000000, 0.0018579000000000 ] - [ 0.0024848800000000, -0.0002097000000000, 0.0005891700000000 ] - [ 0.0024848800000000, 0.0002097000000000, 0.0005891700000000 ] - [ 0.0016048600000000, 0.0000000000000000, -0.0005707600000000 ] - [ 0.0012292300000000, -0.0003660300000000, -0.0001025000000000 ] - [ 0.0012292300000000, 0.0003660300000000, -0.0001025000000000 ] - [ 0.0007420600000000, 0.0000000000000000, 0.0006335400000000 ] - [ 0.0005874400000000, 0.0000204700000000, 0.0005065600000000 ] - [ 0.0005874400000000, -0.0000204700000000, 0.0005065600000000 ] - [ -0.0006018100000000, -0.0064797200000000, -0.0079180300000000 ] - [ -0.0015626900000000, 0.0000000000000000, -0.0002039400000000 ] - [ -0.0006018100000000, 0.0064797200000000, -0.0079180300000000 ] - [ -0.0005784400000000, -0.0000305900000000, 0.0001410500000000 ] - [ -0.0004929500000000, 0.0000000000000000, 0.0001571000000000 ] - [ -0.0005784400000000, 0.0000305900000000, 0.0001410500000000 ] - [ -0.0018700600000000, -0.0004690600000000, 0.0029472900000000 ] - [ -0.0009017500000000, 0.0000000000000000, 0.0008537800000000 ] - [ -0.0018700600000000, 0.0004690600000000, 0.0029472900000000 ] - [ 0.0024959400000000, -0.0002495800000000, 0.0014447800000000 ] - [ 0.0013135600000000, 0.0000000000000000, 0.0000353500000000 ] - [ 0.0024959400000000, 0.0002495800000000, 0.0014447800000000 ] - [ 0.0004482900000000, 0.0000206900000000, -0.0003400700000000 ] - [ 0.0004131500000000, 0.0000000000000000, -0.0003167300000000 ] - [ 0.0004482900000000, -0.0000206900000000, -0.0003400700000000 ] - [ 0.0024929900000000, 0.0005930800000000, -0.0008043700000000 ] - [ 0.0013179400000000, 0.0000000000000000, -0.0008188100000000 ] - [ 0.0024929900000000, -0.0005930800000000, -0.0008043700000000 ]- atom: 109 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0242951800000000, 0.0000000000000000, -0.0011378100000000 ] - [ -0.0011795600000000, -0.0053431400000000, -0.0004799600000000 ] - [ -0.0011795600000000, 0.0053431400000000, -0.0004799600000000 ] - [ -0.0010595300000000, 0.0000000000000000, -0.0010268200000000 ] - [ -0.0007152300000000, -0.0006199300000000, -0.0004880400000000 ] - [ -0.0007152300000000, 0.0006199300000000, -0.0004880400000000 ] - [ -0.0009608100000000, 0.0000000000000000, 0.0023709000000000 ] - [ -0.0007198800000000, -0.0005397600000000, 0.0014314500000000 ] - [ -0.0007198800000000, 0.0005397600000000, 0.0014314500000000 ] - [ 0.0126421300000000, 0.0000000000000000, -0.0044922400000000 ] - [ 0.0019802400000000, 0.0032774000000000, -0.0026189800000000 ] - [ 0.0019802400000000, -0.0032774000000000, -0.0026189800000000 ] - [ 0.0032008400000000, 0.0000000000000000, 0.0015210700000000 ] - [ 0.0020258300000000, 0.0000732900000000, 0.0007976800000000 ] - [ 0.0020258300000000, -0.0000732900000000, 0.0007976800000000 ] - [ 0.0007511200000000, 0.0000000000000000, -0.0015072400000000 ] - [ 0.0004798900000000, 0.0003824200000000, -0.0010175100000000 ] - [ 0.0004798900000000, -0.0003824200000000, -0.0010175100000000 ] - [ -0.0159733000000000, 0.0009716200000000, 0.0000570300000000 ] - [ -0.0028720500000000, 0.0000000000000000, -0.0016627700000000 ] - [ -0.0159733000000000, -0.0009716200000000, 0.0000570300000000 ] - [ -0.0006354400000000, 0.0001397100000000, -0.0003500300000000 ] - [ -0.0005956500000000, 0.0000000000000000, -0.0003455600000000 ] - [ -0.0006354400000000, -0.0001397100000000, -0.0003500300000000 ] - [ -0.0034873800000000, 0.0047340700000000, -0.0032521700000000 ] - [ -0.0009710300000000, 0.0000000000000000, -0.0010487800000000 ] - [ -0.0034873800000000, -0.0047340700000000, -0.0032521700000000 ] - [ 0.0030616100000000, -0.0036607100000000, -0.0022688600000000 ] - [ 0.0014161100000000, 0.0000000000000000, -0.0003519800000000 ] - [ 0.0030616100000000, 0.0036607100000000, -0.0022688600000000 ] - [ 0.0006323900000000, -0.0000886500000000, 0.0003064600000000 ] - [ 0.0005600900000000, 0.0000000000000000, 0.0003614100000000 ] - [ 0.0006323900000000, 0.0000886500000000, 0.0003064600000000 ] - [ 0.0055764200000000, -0.0005412300000000, 0.0035804400000000 ] - [ 0.0021321800000000, 0.0000000000000000, 0.0011478000000000 ] - [ 0.0055764200000000, 0.0005412300000000, 0.0035804400000000 ] - [ -0.0548747800000000, 0.0000000000000000, 0.0916610200000000 ] - [ -0.0006506700000000, 0.0001592700000000, 0.0014186600000000 ] - [ -0.0006506700000000, -0.0001592700000000, 0.0014186600000000 ] - [ -0.0016290600000000, 0.0000000000000000, 0.0023427200000000 ] - [ -0.0008154200000000, -0.0001064800000000, 0.0017415400000000 ] - [ -0.0008154200000000, 0.0001064800000000, 0.0017415400000000 ] - [ 0.0001113400000000, 0.0000000000000000, 0.0008290800000000 ] - [ -0.0000103000000000, 0.0000054900000000, 0.0009380900000000 ] - [ -0.0000103000000000, -0.0000054900000000, 0.0009380900000000 ] - [ 0.0017917000000000, 0.0000000000000000, 0.0011474300000000 ] - [ 0.0006757600000000, -0.0001013600000000, -0.0005202400000000 ] - [ 0.0006757600000000, 0.0001013600000000, -0.0005202400000000 ] - [ -0.0002622100000000, 0.0000000000000000, -0.0011769100000000 ] - [ -0.0000835100000000, -0.0000152100000000, -0.0010876300000000 ] - [ -0.0000835100000000, 0.0000152100000000, -0.0010876300000000 ] - [ 0.0004210400000000, 0.0000000000000000, -0.0004191700000000 ] - [ 0.0002755000000000, 0.0000188600000000, -0.0006278600000000 ] - [ 0.0002755000000000, -0.0000188600000000, -0.0006278600000000 ] - [ 0.0008404300000000, 0.0011693600000000, -0.0030118300000000 ] - [ 0.0001041900000000, 0.0000000000000000, -0.0012273500000000 ] - [ 0.0008404300000000, -0.0011693600000000, -0.0030118300000000 ] - [ -0.0000249200000000, 0.0000088300000000, -0.0009516800000000 ] - [ -0.0000144400000000, 0.0000000000000000, -0.0009653400000000 ] - [ -0.0000249200000000, -0.0000088300000000, -0.0009516800000000 ] - [ -0.0008604200000000, -0.0008710400000000, 0.0020803500000000 ] - [ -0.0004154800000000, 0.0000000000000000, -0.0004096100000000 ] - [ -0.0008604200000000, 0.0008710400000000, 0.0020803500000000 ] - [ 0.0015816900000000, -0.0002470600000000, 0.0034196400000000 ] - [ 0.0005165600000000, 0.0000000000000000, 0.0013583000000000 ] - [ 0.0015816900000000, 0.0002470600000000, 0.0034196400000000 ] - [ 0.0002104200000000, -0.0000141000000000, 0.0011633300000000 ] - [ 0.0002042000000000, 0.0000000000000000, 0.0011634200000000 ] - [ 0.0002104200000000, 0.0000141000000000, 0.0011633300000000 ] - [ 0.0001801100000000, 0.0001753100000000, 0.0009259100000000 ] - [ 0.0000191900000000, 0.0000000000000000, 0.0008817100000000 ] - [ 0.0001801100000000, -0.0001753100000000, 0.0009259100000000 ] - [ -0.0010204800000000, 0.0000000000000000, -0.0084965100000000 ] - [ -0.0020943300000000, -0.0045742600000000, -0.0022032500000000 ] - [ -0.0020943300000000, 0.0045742600000000, -0.0022032500000000 ] - [ -0.0005036700000000, 0.0000000000000000, 0.0010406200000000 ] - [ -0.0004805200000000, -0.0000524700000000, 0.0009247500000000 ] - [ -0.0004805200000000, 0.0000524700000000, 0.0009247500000000 ] - [ -0.0077299500000000, 0.0000000000000000, 0.0249896600000000 ] - [ 0.0001334500000000, -0.0010301600000000, 0.0009985000000000 ] - [ 0.0001334500000000, 0.0010301600000000, 0.0009985000000000 ] - [ -0.0136206400000000, 0.0000000000000000, 0.0100388300000000 ] - [ -0.0018283600000000, 0.0011364800000000, -0.0003885900000000 ] - [ -0.0018283600000000, -0.0011364800000000, -0.0003885900000000 ] - [ -0.0008577300000000, 0.0000000000000000, -0.0002926600000000 ] - [ -0.0008500800000000, 0.0000803100000000, -0.0004844200000000 ] - [ -0.0008500800000000, -0.0000803100000000, -0.0004844200000000 ] - [ -0.0010581800000000, 0.0000000000000000, -0.0022103900000000 ] - [ -0.0009670100000000, 0.0006384600000000, -0.0016887300000000 ] - [ -0.0009670100000000, -0.0006384600000000, -0.0016887300000000 ] - [ -0.0067430500000000, 0.0084674300000000, -0.0055633300000000 ] - [ 0.0001850100000000, 0.0000000000000000, -0.0020155300000000 ] - [ -0.0067430500000000, -0.0084674300000000, -0.0055633300000000 ] - [ 0.0004184300000000, 0.0002400000000000, 0.0014248900000000 ] - [ 0.0007441500000000, 0.0000000000000000, -0.0003372300000000 ] - [ 0.0004184300000000, -0.0002400000000000, 0.0014248900000000 ] - [ 0.0006152300000000, 0.0001067500000000, -0.0011528900000000 ] - [ 0.0006519200000000, 0.0000000000000000, -0.0010584600000000 ] - [ 0.0006152300000000, -0.0001067500000000, -0.0011528900000000 ] - [ -0.0084555400000000, -0.0083352500000000, 0.0006590300000000 ] - [ 0.0007812500000000, 0.0000000000000000, 0.0003776500000000 ] - [ -0.0084555400000000, 0.0083352500000000, 0.0006590300000000 ] - [ 0.0005202700000000, -0.0001475400000000, 0.0001862100000000 ] - [ 0.0004798200000000, 0.0000000000000000, 0.0001761900000000 ] - [ 0.0005202700000000, 0.0001475400000000, 0.0001862100000000 ] - [ -0.0001414600000000, -0.0006145400000000, 0.0019374300000000 ] - [ 0.0005115900000000, 0.0000000000000000, 0.0010398600000000 ] - [ -0.0001414600000000, 0.0006145400000000, 0.0019374300000000 ] - [ 0.1477365000000000, 0.0000000000000000, -0.1125326400000000 ] - [ 0.0032118300000000, -0.0000378800000000, -0.0000763200000000 ] - [ 0.0032118300000000, 0.0000378800000000, -0.0000763200000000 ] - [ 0.0015547100000000, 0.0000000000000000, -0.0013335100000000 ] - [ 0.0009355600000000, 0.0000916800000000, -0.0007162700000000 ] - [ 0.0009355600000000, -0.0000916800000000, -0.0007162700000000 ] - [ 0.0015563800000000, 0.0000000000000000, 0.0004301700000000 ] - [ 0.0009341300000000, -0.0003625500000000, 0.0000626800000000 ] - [ 0.0009341300000000, 0.0003625500000000, 0.0000626800000000 ] - [ -0.0038719700000000, 0.0000000000000000, -0.0012858600000000 ] - [ -0.0024283200000000, 0.0002170400000000, -0.0000021400000000 ] - [ -0.0024283200000000, -0.0002170400000000, -0.0000021400000000 ] - [ -0.0015544600000000, 0.0000000000000000, 0.0011814400000000 ] - [ -0.0011728700000000, 0.0003725300000000, 0.0007068900000000 ] - [ -0.0011728700000000, -0.0003725300000000, 0.0007068900000000 ] - [ -0.0006790900000000, 0.0000000000000000, -0.0000381900000000 ] - [ -0.0005231000000000, -0.0000211000000000, 0.0000871800000000 ] - [ -0.0005231000000000, 0.0000211000000000, 0.0000871800000000 ] - [ 0.0005383100000000, 0.0066069600000000, 0.0086106900000000 ] - [ 0.0015153800000000, 0.0000000000000000, 0.0008010700000000 ] - [ 0.0005383100000000, -0.0066069600000000, 0.0086106900000000 ] - [ 0.0005139400000000, 0.0000314100000000, 0.0004607400000000 ] - [ 0.0004293200000000, 0.0000000000000000, 0.0004406900000000 ] - [ 0.0005139400000000, -0.0000314100000000, 0.0004607400000000 ] - [ 0.0018372500000000, 0.0004615000000000, -0.0023659800000000 ] - [ 0.0008434200000000, 0.0000000000000000, -0.0002650900000000 ] - [ 0.0018372500000000, -0.0004615000000000, -0.0023659800000000 ] - [ -0.0025894900000000, 0.0002523700000000, -0.0020345300000000 ] - [ -0.0013982600000000, 0.0000000000000000, -0.0006293500000000 ] - [ -0.0025894900000000, -0.0002523700000000, -0.0020345300000000 ] - [ -0.0005222900000000, -0.0000211300000000, -0.0002497600000000 ] - [ -0.0004884700000000, 0.0000000000000000, -0.0002774600000000 ] - [ -0.0005222900000000, 0.0000211300000000, -0.0002497600000000 ] - [ -0.0025925100000000, -0.0006026700000000, 0.0001957000000000 ] - [ -0.0013944700000000, 0.0000000000000000, 0.0002148000000000 ] - [ -0.0025925100000000, 0.0006026700000000, 0.0001957000000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000224600000000, 0.0124664100000000, 0.0005331900000000 ] - [ 0.0038160600000000, -0.0044635400000000, -0.0002046700000000 ] - [ -0.0038587200000000, -0.0044845000000000, 0.0011789300000000 ] - [ -0.0000386900000000, 0.0013628400000000, 0.0004777300000000 ] - [ 0.0001755300000000, -0.0006995600000000, -0.0000407300000000 ] - [ -0.0002543700000000, -0.0007016400000000, 0.0009972700000000 ] - [ -0.0000494400000000, 0.0014342300000000, 0.0004756100000000 ] - [ 0.0001402300000000, -0.0007240900000000, 0.0010891400000000 ] - [ -0.0002273400000000, -0.0007330400000000, -0.0001270900000000 ] - [ 0.0000042100000000, 0.0065517800000000, -0.0004489800000000 ] - [ -0.0014644800000000, -0.0031634700000000, 0.0012072500000000 ] - [ 0.0013717100000000, -0.0031736500000000, -0.0021469200000000 ] - [ -0.0000560000000000, 0.0014622500000000, -0.0004908200000000 ] - [ -0.0022002400000000, -0.0006865800000000, -0.0024886800000000 ] - [ 0.0020948900000000, -0.0006886300000000, 0.0015048400000000 ] - [ -0.0000383200000000, 0.0003666000000000, -0.0004951100000000 ] - [ -0.0000691200000000, -0.0001815200000000, -0.0004239200000000 ] - [ -0.0000119900000000, -0.0001906600000000, -0.0005551700000000 ] - [ 0.0022819000000000, 0.0124345900000000, -0.0009386200000000 ] - [ 0.0000348500000000, -0.0103855900000000, -0.0004896900000000 ] - [ -0.0017436400000000, 0.0117549700000000, 0.0007420300000000 ] - [ 0.0000187300000000, 0.0004007100000000, -0.0008874900000000 ] - [ 0.0000426000000000, -0.0008036100000000, -0.0004905600000000 ] - [ 0.0000692400000000, 0.0003990700000000, -0.0000965800000000 ] - [ -0.0008737300000000, 0.0009666600000000, 0.0013542800000000 ] - [ 0.0000411100000000, -0.0019362600000000, -0.0004766300000000 ] - [ 0.0009364500000000, 0.0008715900000000, -0.0023568500000000 ] - [ 0.0004064700000000, 0.0007824800000000, 0.0002136600000000 ] - [ 0.0000386000000000, -0.0015499100000000, 0.0004813100000000 ] - [ -0.0003297600000000, 0.0007621400000000, 0.0007625800000000 ] - [ 0.0000849600000000, 0.0001719900000000, 0.0004501900000000 ] - [ 0.0000412000000000, -0.0003423900000000, 0.0004794900000000 ] - [ -0.0000036100000000, 0.0001688700000000, 0.0005072400000000 ] - [ 0.0012988900000000, 0.0006778900000000, 0.0018119800000000 ] - [ 0.0000409100000000, -0.0012806600000000, 0.0004884600000000 ] - [ -0.0012207600000000, 0.0006692100000000, -0.0008449800000000 ] - [ -0.0004749300000000, 0.0198494700000000, 0.0023041600000000 ] - [ -0.0012482500000000, -0.0014699000000000, 0.0029104900000000 ] - [ 0.0011323100000000, -0.0014603000000000, -0.0008824200000000 ] - [ -0.0000453300000000, 0.0002134900000000, 0.0009913400000000 ] - [ 0.0006484100000000, -0.0000222900000000, -0.0002689200000000 ] - [ -0.0007382900000000, -0.0000216500000000, 0.0022547500000000 ] - [ -0.0000462000000000, -0.0000310400000000, 0.0009951600000000 ] - [ -0.0000660200000000, 0.0000083900000000, 0.0010433200000000 ] - [ -0.0000286400000000, 0.0000087900000000, 0.0009491700000000 ] - [ -0.0000513600000000, 0.0002579800000000, -0.0010014300000000 ] - [ -0.0000168400000000, -0.0001477400000000, -0.0010232000000000 ] - [ -0.0000799100000000, -0.0001485500000000, -0.0009706500000000 ] - [ -0.0000486100000000, 0.0000276100000000, -0.0010000800000000 ] - [ -0.0000632800000000, -0.0000097300000000, -0.0011389300000000 ] - [ -0.0000353000000000, -0.0000096100000000, -0.0008628900000000 ] - [ -0.0000493300000000, 0.0000230800000000, -0.0010013400000000 ] - [ 0.0000135900000000, -0.0000118600000000, -0.0008717000000000 ] - [ -0.0001116200000000, -0.0000122900000000, -0.0011284300000000 ] - [ 0.0008684900000000, 0.0011134200000000, -0.0033961000000000 ] - [ 0.0000510200000000, -0.0000901400000000, -0.0010029500000000 ] - [ -0.0007712800000000, 0.0011207000000000, 0.0013978200000000 ] - [ 0.0000543100000000, -0.0000066700000000, -0.0010172800000000 ] - [ 0.0000495400000000, 0.0000147600000000, -0.0010008600000000 ] - [ 0.0000453700000000, -0.0000069500000000, -0.0009866000000000 ] - [ 0.0007517700000000, -0.0001873300000000, 0.0004556800000000 ] - [ 0.0000492400000000, -0.0003076900000000, -0.0009957000000000 ] - [ -0.0006535500000000, -0.0001975000000000, -0.0024544700000000 ] - [ -0.0008149700000000, 0.0002608000000000, -0.0005317300000000 ] - [ 0.0000474300000000, -0.0002843600000000, 0.0009990100000000 ] - [ 0.0009103200000000, 0.0002603800000000, 0.0025321600000000 ] - [ -0.0000214900000000, 0.0000045000000000, 0.0008623100000000 ] - [ 0.0000471300000000, -0.0000059900000000, 0.0009957200000000 ] - [ 0.0001147600000000, 0.0000045300000000, 0.0011267400000000 ] - [ 0.0001662200000000, 0.0000323100000000, 0.0011665700000000 ] - [ 0.0000495100000000, -0.0000383400000000, 0.0009998000000000 ] - [ -0.0000625400000000, 0.0000284000000000, 0.0008324600000000 ] - [ -0.0006042300000000, -0.0095449300000000, 0.0008013700000000 ] - [ 0.0020251800000000, 0.0106081500000000, 0.0061606700000000 ] - [ -0.0032723700000000, 0.0105448100000000, -0.0045550500000000 ] - [ -0.0006342700000000, -0.0002692600000000, 0.0007900900000000 ] - [ -0.0005837100000000, 0.0001344200000000, 0.0007944400000000 ] - [ -0.0006841800000000, 0.0001351200000000, 0.0007808700000000 ] - [ -0.0007287400000000, -0.0069584900000000, 0.0009209000000000 ] - [ -0.0001798400000000, 0.0008793400000000, -0.0010641400000000 ] - [ -0.0010895100000000, 0.0008972900000000, 0.0026012400000000 ] - [ -0.0006045700000000, -0.0006226700000000, -0.0008117100000000 ] - [ -0.0015757300000000, 0.0007014000000000, 0.0000003900000000 ] - [ 0.0003006000000000, 0.0007064400000000, -0.0015648700000000 ] - [ -0.0006362100000000, -0.0002477600000000, -0.0007786100000000 ] - [ -0.0007265900000000, 0.0001232000000000, -0.0005212700000000 ] - [ -0.0005461100000000, 0.0001237700000000, -0.0010353900000000 ] - [ -0.0006330800000000, -0.0010590600000000, -0.0007819500000000 ] - [ -0.0007213100000000, 0.0005200500000000, -0.0010268700000000 ] - [ -0.0005469500000000, 0.0005256900000000, -0.0005387200000000 ] - [ -0.0046406300000000, 0.0006496900000000, -0.0017855700000000 ] - [ 0.0006300000000000, 0.0023782000000000, -0.0007870400000000 ] - [ 0.0059010200000000, 0.0006795100000000, 0.0002131700000000 ] - [ -0.0001863200000000, -0.0003464500000000, 0.0009721100000000 ] - [ 0.0006349600000000, 0.0005685900000000, -0.0007786200000000 ] - [ 0.0014541600000000, -0.0003453300000000, -0.0025330900000000 ] - [ 0.0005499900000000, -0.0001940600000000, -0.0008806300000000 ] - [ 0.0006364300000000, 0.0004079200000000, -0.0007790100000000 ] - [ 0.0007244300000000, -0.0001910200000000, -0.0006761700000000 ] - [ 0.0089626900000000, 0.0011246400000000, -0.0013459300000000 ] - [ 0.0006458700000000, 0.0024218600000000, 0.0007722900000000 ] - [ -0.0076294600000000, 0.0011591000000000, 0.0028714500000000 ] - [ 0.0006216900000000, -0.0005800100000000, 0.0011361600000000 ] - [ 0.0006354200000000, 0.0012505900000000, 0.0007888600000000 ] - [ 0.0006488400000000, -0.0005803000000000, 0.0004419400000000 ] - [ 0.0007285200000000, -0.0001680800000000, 0.0004952300000000 ] - [ 0.0006351500000000, 0.0002776100000000, 0.0007813500000000 ] - [ 0.0005272300000000, -0.0001559200000000, 0.0010889000000000 ] - [ 0.0000028300000000, -0.0761352400000000, -0.0025591800000000 ] - [ 0.0000194500000000, 0.0099331800000000, 0.0002948300000000 ] - [ 0.0000423700000000, 0.0098046200000000, -0.0008791200000000 ] - [ 0.0000332300000000, -0.0003651500000000, -0.0002809400000000 ] - [ -0.0003253500000000, 0.0001578000000000, 0.0008761800000000 ] - [ 0.0003918700000000, 0.0001578900000000, -0.0014397700000000 ] - [ 0.0000406000000000, -0.0003652800000000, -0.0002801200000000 ] - [ 0.0001275700000000, 0.0001528200000000, -0.0003932000000000 ] - [ -0.0000529300000000, 0.0001630400000000, -0.0001754100000000 ] - [ 0.0000353600000000, -0.0011065200000000, 0.0002879000000000 ] - [ 0.0002517200000000, 0.0006188600000000, -0.0000101000000000 ] - [ -0.0001759200000000, 0.0006226400000000, 0.0005794600000000 ] - [ 0.0000408800000000, -0.0004790400000000, 0.0002867900000000 ] - [ 0.0004087900000000, 0.0002823600000000, 0.0004703200000000 ] - [ -0.0003291800000000, 0.0002849100000000, 0.0001084700000000 ] - [ 0.0000357200000000, -0.0001082700000000, 0.0002917700000000 ] - [ 0.0000147700000000, 0.0000539100000000, 0.0001736900000000 ] - [ 0.0000572200000000, 0.0000548800000000, 0.0004068800000000 ] - [ -0.0066120800000000, 0.0010154900000000, 0.0082252000000000 ] - [ -0.0000449000000000, 0.0019958800000000, 0.0002922000000000 ] - [ 0.0064749800000000, 0.0009993400000000, -0.0076229900000000 ] - [ -0.0000680300000000, -0.0001348000000000, 0.0003821800000000 ] - [ -0.0000367700000000, 0.0002756800000000, 0.0002909400000000 ] - [ -0.0000063700000000, -0.0001341000000000, 0.0002020100000000 ] - [ -0.0004968200000000, -0.0000510200000000, -0.0014088400000000 ] - [ -0.0000361400000000, 0.0005696900000000, 0.0002843000000000 ] - [ 0.0004335600000000, -0.0000387300000000, 0.0019897800000000 ] - [ 0.0005676000000000, -0.0004859100000000, 0.0010469000000000 ] - [ -0.0000308900000000, 0.0009440700000000, -0.0002875500000000 ] - [ -0.0006276800000000, -0.0004842600000000, -0.0016257200000000 ] - [ -0.0000138600000000, -0.0000479400000000, -0.0001693900000000 ] - [ -0.0000353900000000, 0.0000941800000000, -0.0002839100000000 ] - [ -0.0000558400000000, -0.0000467800000000, -0.0003957500000000 ] - [ -0.0002912600000000, -0.0004910300000000, -0.0006624100000000 ] - [ -0.0000354000000000, 0.0009441200000000, -0.0002911200000000 ] - [ 0.0002103400000000, -0.0004791000000000, 0.0000762500000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0076262600000000, 0.0000000000000000, 0.0171881700000000 ] - [ 0.0011445200000000, -0.0010175500000000, 0.0049369600000000 ] - [ 0.0011445200000000, 0.0010175500000000, 0.0049369600000000 ] - [ 0.0005847100000000, 0.0000000000000000, -0.0019794000000000 ] - [ 0.0004115800000000, -0.0006149500000000, -0.0013862400000000 ] - [ 0.0004115800000000, 0.0006149500000000, -0.0013862400000000 ] - [ -0.0025816600000000, 0.0000000000000000, -0.0018009600000000 ] - [ -0.0013635500000000, 0.0012524800000000, -0.0005504000000000 ] - [ -0.0013635500000000, -0.0012524800000000, -0.0005504000000000 ] - [ 0.0101985100000000, 0.0000000000000000, 0.0096345400000000 ] - [ 0.0007415100000000, 0.0010563500000000, 0.0024772300000000 ] - [ 0.0007415100000000, -0.0010563500000000, 0.0024772300000000 ] - [ -0.0042329700000000, 0.0000000000000000, -0.0033479800000000 ] - [ -0.0021755600000000, -0.0002260300000000, -0.0020469200000000 ] - [ -0.0021755600000000, 0.0002260300000000, -0.0020469200000000 ] - [ 0.0007425700000000, 0.0000000000000000, -0.0039024600000000 ] - [ 0.0002867800000000, 0.0010410300000000, -0.0026793100000000 ] - [ 0.0002867800000000, -0.0010410300000000, -0.0026793100000000 ] - [ 0.0020496600000000, 0.0012296700000000, 0.0180315700000000 ] - [ 0.0003494900000000, 0.0000000000000000, 0.0040054600000000 ] - [ 0.0020496600000000, -0.0012296700000000, 0.0180315700000000 ] - [ -0.0000345600000000, -0.0001610900000000, -0.0033985600000000 ] - [ 0.0000586900000000, 0.0000000000000000, -0.0028598900000000 ] - [ -0.0000345600000000, 0.0001610900000000, -0.0033985600000000 ] - [ -0.0016632100000000, 0.0106970000000000, -0.0075505700000000 ] - [ 0.0000625200000000, 0.0000000000000000, -0.0008468000000000 ] - [ -0.0016632100000000, -0.0106970000000000, -0.0075505700000000 ] - [ 0.0007929100000000, -0.0007229200000000, 0.0004807800000000 ] - [ -0.0000750500000000, 0.0000000000000000, 0.0004847100000000 ] - [ 0.0007929100000000, 0.0007229200000000, 0.0004807800000000 ] - [ 0.0000183800000000, 0.0000231100000000, -0.0013189400000000 ] - [ -0.0000102200000000, 0.0000000000000000, -0.0010432500000000 ] - [ 0.0000183800000000, -0.0000231100000000, -0.0013189400000000 ] - [ 0.0004850600000000, 0.0005692300000000, 0.0016860500000000 ] - [ 0.0006028600000000, 0.0000000000000000, 0.0018737900000000 ] - [ 0.0004850600000000, -0.0005692300000000, 0.0016860500000000 ] - [ -0.0802856500000000, 0.0000000000000000, 0.2528648300000000 ] - [ -0.0007648500000000, 0.0009370400000000, 0.0024711500000000 ] - [ -0.0007648500000000, -0.0009370400000000, 0.0024711500000000 ] - [ 0.0013118500000000, 0.0000000000000000, -0.0013665600000000 ] - [ 0.0005961600000000, 0.0000031900000000, -0.0001657300000000 ] - [ 0.0005961600000000, -0.0000031900000000, -0.0001657300000000 ] - [ 0.0007656000000000, 0.0000000000000000, -0.0004765000000000 ] - [ 0.0004446900000000, -0.0000550700000000, -0.0000178800000000 ] - [ 0.0004446900000000, 0.0000550700000000, -0.0000178800000000 ] - [ 0.0006557900000000, 0.0000000000000000, 0.0007002600000000 ] - [ 0.0003221600000000, 0.0000282600000000, -0.0000359100000000 ] - [ 0.0003221600000000, -0.0000282600000000, -0.0000359100000000 ] - [ -0.0002579600000000, 0.0000000000000000, -0.0017843700000000 ] - [ -0.0002560000000000, -0.0000198000000000, -0.0016260700000000 ] - [ -0.0002560000000000, 0.0000198000000000, -0.0016260700000000 ] - [ -0.0001172800000000, 0.0000000000000000, -0.0013412800000000 ] - [ -0.0001032700000000, 0.0000488800000000, -0.0011854000000000 ] - [ -0.0001032700000000, -0.0000488800000000, -0.0011854000000000 ] - [ 0.0006077600000000, 0.0017437300000000, -0.0036278600000000 ] - [ 0.0002659200000000, 0.0000000000000000, -0.0012213500000000 ] - [ 0.0006077600000000, -0.0017437300000000, -0.0036278600000000 ] - [ 0.0003695200000000, 0.0000387800000000, -0.0018958800000000 ] - [ 0.0003268300000000, 0.0000000000000000, -0.0017615200000000 ] - [ 0.0003695200000000, -0.0000387800000000, -0.0018958800000000 ] - [ -0.0018405500000000, 0.0012751700000000, -0.0004200100000000 ] - [ -0.0003586500000000, 0.0000000000000000, -0.0001411800000000 ] - [ -0.0018405500000000, -0.0012751700000000, -0.0004200100000000 ] - [ 0.0002902300000000, -0.0001229600000000, 0.0022722600000000 ] - [ 0.0002042900000000, 0.0000000000000000, 0.0018107200000000 ] - [ 0.0002902300000000, 0.0001229600000000, 0.0022722600000000 ] - [ -0.0005002200000000, -0.0000060600000000, -0.0000675200000000 ] - [ -0.0004294900000000, 0.0000000000000000, 0.0000650900000000 ] - [ -0.0005002200000000, 0.0000060600000000, -0.0000675200000000 ] - [ 0.0007260400000000, 0.0004732600000000, 0.0008817500000000 ] - [ 0.0002329800000000, 0.0000000000000000, 0.0010760500000000 ] - [ 0.0007260400000000, -0.0004732600000000, 0.0008817500000000 ] - [ 0.0097099200000000, 0.0000000000000000, 0.0154760300000000 ] - [ 0.0011790900000000, 0.0063921600000000, 0.0050377900000000 ] - [ 0.0011790900000000, -0.0063921600000000, 0.0050377900000000 ] - [ -0.0001888000000000, 0.0000000000000000, 0.0032863700000000 ] - [ -0.0001831700000000, -0.0000183200000000, 0.0027290400000000 ] - [ -0.0001831700000000, 0.0000183200000000, 0.0027290400000000 ] - [ -0.0294379100000000, 0.0000000000000000, 0.0388753500000000 ] - [ -0.0014144400000000, -0.0024485500000000, -0.0011010800000000 ] - [ -0.0014144400000000, 0.0024485500000000, -0.0011010800000000 ] - [ -0.0023423200000000, 0.0000000000000000, -0.0001336300000000 ] - [ -0.0011226300000000, 0.0004735000000000, -0.0018214300000000 ] - [ -0.0011226300000000, -0.0004735000000000, -0.0018214300000000 ] - [ -0.0012308900000000, 0.0000000000000000, 0.0008960100000000 ] - [ -0.0011201500000000, 0.0000348300000000, 0.0005893700000000 ] - [ -0.0011201500000000, -0.0000348300000000, 0.0005893700000000 ] - [ 0.0000523000000000, 0.0000000000000000, -0.0010317700000000 ] - [ -0.0002533700000000, -0.0004964300000000, -0.0011115300000000 ] - [ -0.0002533700000000, 0.0004964300000000, -0.0011115300000000 ] - [ 0.0028248000000000, -0.0007349600000000, -0.0048698100000000 ] - [ -0.0000904300000000, 0.0000000000000000, -0.0027706500000000 ] - [ 0.0028248000000000, 0.0007349600000000, -0.0048698100000000 ] - [ -0.0002057500000000, 0.0001337100000000, 0.0014121600000000 ] - [ 0.0006198000000000, 0.0000000000000000, -0.0002584100000000 ] - [ -0.0002057500000000, -0.0001337100000000, 0.0014121600000000 ] - [ 0.0013219200000000, -0.0003516400000000, 0.0008072800000000 ] - [ 0.0011767600000000, 0.0000000000000000, 0.0005221200000000 ] - [ 0.0013219200000000, 0.0003516400000000, 0.0008072800000000 ] - [ 0.0029314200000000, -0.0017066000000000, -0.0055951500000000 ] - [ 0.0016427400000000, 0.0000000000000000, -0.0015742800000000 ] - [ 0.0029314200000000, 0.0017066000000000, -0.0055951500000000 ] - [ 0.0005949900000000, 0.0005517700000000, 0.0027499000000000 ] - [ 0.0006555800000000, 0.0000000000000000, 0.0025088200000000 ] - [ 0.0005949900000000, -0.0005517700000000, 0.0027499000000000 ] - [ -0.0016235000000000, -0.0014034500000000, 0.0038656900000000 ] - [ 0.0000824500000000, 0.0000000000000000, 0.0014078100000000 ] - [ -0.0016235000000000, 0.0014034500000000, 0.0038656900000000 ] - [ 0.1071649300000000, 0.0000000000000000, -0.3624980800000000 ] - [ -0.0001820900000000, -0.0005864500000000, -0.0042755500000000 ] - [ -0.0001820900000000, 0.0005864500000000, -0.0042755500000000 ] - [ -0.0006803400000000, 0.0000000000000000, 0.0024442400000000 ] - [ -0.0003117000000000, 0.0001095800000000, 0.0013188700000000 ] - [ -0.0003117000000000, -0.0001095800000000, 0.0013188700000000 ] - [ 0.0010889200000000, 0.0000000000000000, 0.0024399000000000 ] - [ 0.0004642200000000, -0.0011605500000000, 0.0013189100000000 ] - [ 0.0004642200000000, 0.0011605500000000, 0.0013189100000000 ] - [ -0.0015284400000000, 0.0000000000000000, -0.0016320100000000 ] - [ -0.0002511900000000, -0.0002958000000000, -0.0009193100000000 ] - [ -0.0002511900000000, 0.0002958000000000, -0.0009193100000000 ] - [ 0.0009297000000000, 0.0000000000000000, 0.0010298500000000 ] - [ 0.0004525800000000, 0.0001803500000000, 0.0008885900000000 ] - [ 0.0004525800000000, -0.0001803500000000, 0.0008885900000000 ] - [ -0.0002913100000000, 0.0000000000000000, 0.0011788100000000 ] - [ -0.0001649500000000, -0.0001163100000000, 0.0009124900000000 ] - [ -0.0001649500000000, 0.0001163100000000, 0.0009124900000000 ] - [ -0.0083667800000000, 0.0079850700000000, 0.0080298000000000 ] - [ -0.0005498800000000, 0.0000000000000000, -0.0005243900000000 ] - [ -0.0083667800000000, -0.0079850700000000, 0.0080298000000000 ] - [ -0.0002064100000000, 0.0000906800000000, 0.0017046400000000 ] - [ -0.0001878200000000, 0.0000000000000000, 0.0014747600000000 ] - [ -0.0002064100000000, -0.0000906800000000, 0.0017046400000000 ] - [ 0.0026061500000000, -0.0016899900000000, 0.0014343300000000 ] - [ 0.0005142800000000, 0.0000000000000000, -0.0003150000000000 ] - [ 0.0026061500000000, 0.0016899900000000, 0.0014343300000000 ] - [ 0.0004577000000000, 0.0003705100000000, -0.0012610000000000 ] - [ 0.0004706000000000, 0.0000000000000000, -0.0008920500000000 ] - [ 0.0004577000000000, -0.0003705100000000, -0.0012610000000000 ] - [ -0.0000013500000000, -0.0001134100000000, 0.0012107400000000 ] - [ -0.0000273600000000, 0.0000000000000000, 0.0010299300000000 ] - [ -0.0000013500000000, 0.0001134100000000, 0.0012107400000000 ] - [ -0.0017907600000000, -0.0013405900000000, -0.0012582500000000 ] - [ -0.0003795300000000, 0.0000000000000000, -0.0008919300000000 ] - [ -0.0017907600000000, 0.0013405900000000, -0.0012582500000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0076410300000000, 0.0000000000000000, -0.0163464800000000 ] - [ -0.0012281000000000, 0.0010215400000000, -0.0039617700000000 ] - [ -0.0012281000000000, -0.0010215400000000, -0.0039617700000000 ] - [ -0.0006642100000000, 0.0000000000000000, 0.0029417000000000 ] - [ -0.0004941700000000, 0.0006149100000000, 0.0023485000000000 ] - [ -0.0004941700000000, -0.0006149100000000, 0.0023485000000000 ] - [ 0.0024973300000000, 0.0000000000000000, 0.0027846300000000 ] - [ 0.0012795000000000, -0.0012600000000000, 0.0015211100000000 ] - [ 0.0012795000000000, 0.0012600000000000, 0.0015211100000000 ] - [ -0.0102563000000000, 0.0000000000000000, -0.0105413700000000 ] - [ -0.0008267800000000, -0.0010485400000000, -0.0034387100000000 ] - [ -0.0008267800000000, 0.0010485400000000, -0.0034387100000000 ] - [ 0.0041066100000000, 0.0000000000000000, 0.0023650800000000 ] - [ 0.0020818300000000, 0.0002229900000000, 0.0010799600000000 ] - [ 0.0020818300000000, -0.0002229900000000, 0.0010799600000000 ] - [ -0.0008225200000000, 0.0000000000000000, 0.0029197600000000 ] - [ -0.0003691700000000, -0.0010344600000000, 0.0017050400000000 ] - [ -0.0003691700000000, 0.0010344600000000, 0.0017050400000000 ] - [ -0.0016647200000000, -0.0007352600000000, -0.0187745000000000 ] - [ -0.0002683900000000, 0.0000000000000000, -0.0049598600000000 ] - [ -0.0016647200000000, 0.0007352600000000, -0.0187745000000000 ] - [ 0.0001208700000000, 0.0001590000000000, 0.0024210200000000 ] - [ 0.0000268100000000, 0.0000000000000000, 0.0018860600000000 ] - [ 0.0001208700000000, -0.0001590000000000, 0.0024210200000000 ] - [ 0.0016956600000000, -0.0106240600000000, 0.0065713900000000 ] - [ 0.0000190000000000, 0.0000000000000000, -0.0001172900000000 ] - [ 0.0016956600000000, 0.0106240600000000, 0.0065713900000000 ] - [ -0.0007105900000000, 0.0007453100000000, 0.0004965300000000 ] - [ 0.0001604800000000, 0.0000000000000000, 0.0004799900000000 ] - [ -0.0007105900000000, -0.0007453100000000, 0.0004965300000000 ] - [ 0.0000697100000000, -0.0000221800000000, 0.0022817400000000 ] - [ 0.0000975900000000, 0.0000000000000000, 0.0020059400000000 ] - [ 0.0000697100000000, 0.0000221800000000, 0.0022817400000000 ] - [ -0.0003877700000000, -0.0005676000000000, -0.0007219600000000 ] - [ -0.0005132600000000, 0.0000000000000000, -0.0009063200000000 ] - [ -0.0003877700000000, 0.0005676000000000, -0.0007219600000000 ] - [ 0.0902364900000000, 0.0000000000000000, -0.2709263100000000 ] - [ 0.0006629100000000, -0.0009414200000000, -0.0004681100000000 ] - [ 0.0006629100000000, 0.0009414200000000, -0.0004681100000000 ] - [ -0.0013977400000000, 0.0000000000000000, 0.0033507300000000 ] - [ -0.0006917800000000, -0.0000029900000000, 0.0021628400000000 ] - [ -0.0006917800000000, 0.0000029900000000, 0.0021628400000000 ] - [ -0.0008603400000000, 0.0000000000000000, 0.0024715200000000 ] - [ -0.0005411100000000, 0.0000550300000000, 0.0020144300000000 ] - [ -0.0005411100000000, -0.0000550300000000, 0.0020144300000000 ] - [ -0.0007590400000000, 0.0000000000000000, -0.0027062700000000 ] - [ -0.0004189600000000, -0.0000279800000000, -0.0019620900000000 ] - [ -0.0004189600000000, 0.0000279800000000, -0.0019620900000000 ] - [ 0.0001617200000000, 0.0000000000000000, -0.0002165500000000 ] - [ 0.0001580400000000, 0.0000195400000000, -0.0003749100000000 ] - [ 0.0001580400000000, -0.0000195400000000, -0.0003749100000000 ] - [ 0.0000204500000000, 0.0000000000000000, -0.0006596200000000 ] - [ 0.0000059000000000, -0.0000485900000000, -0.0008154300000000 ] - [ 0.0000059000000000, 0.0000485900000000, -0.0008154300000000 ] - [ -0.0005172600000000, -0.0017306100000000, 0.0016303900000000 ] - [ -0.0001659800000000, 0.0000000000000000, -0.0007817300000000 ] - [ -0.0005172600000000, 0.0017306100000000, 0.0016303900000000 ] - [ -0.0002716100000000, -0.0000385400000000, -0.0001058200000000 ] - [ -0.0002290000000000, 0.0000000000000000, -0.0002392000000000 ] - [ -0.0002716100000000, 0.0000385400000000, -0.0001058200000000 ] - [ 0.0019614300000000, -0.0012946800000000, -0.0015765200000000 ] - [ 0.0004566400000000, 0.0000000000000000, -0.0018580000000000 ] - [ 0.0019614300000000, 0.0012946800000000, -0.0015765200000000 ] - [ -0.0001908100000000, 0.0001224800000000, -0.0002646800000000 ] - [ -0.0001051900000000, 0.0000000000000000, 0.0001919200000000 ] - [ -0.0001908100000000, -0.0001224800000000, -0.0002646800000000 ] - [ 0.0005949300000000, 0.0000060500000000, 0.0020612500000000 ] - [ 0.0005257300000000, 0.0000000000000000, 0.0019316600000000 ] - [ 0.0005949300000000, -0.0000060500000000, 0.0020612500000000 ] - [ -0.0006236000000000, -0.0004698900000000, 0.0011178400000000 ] - [ -0.0001344300000000, 0.0000000000000000, 0.0009243000000000 ] - [ -0.0006236000000000, 0.0004698900000000, 0.0011178400000000 ] - [ -0.0107841100000000, 0.0000000000000000, -0.0136433200000000 ] - [ -0.0024582500000000, -0.0063748400000000, -0.0034332000000000 ] - [ -0.0024582500000000, 0.0063748400000000, -0.0034332000000000 ] - [ -0.0010867100000000, 0.0000000000000000, -0.0017052600000000 ] - [ -0.0010924800000000, 0.0000188100000000, -0.0011509000000000 ] - [ -0.0010924800000000, -0.0000188100000000, -0.0011509000000000 ] - [ 0.0282695700000000, 0.0000000000000000, -0.0373428400000000 ] - [ 0.0001408100000000, 0.0024413600000000, 0.0026650700000000 ] - [ 0.0001408100000000, -0.0024413600000000, 0.0026650700000000 ] - [ 0.0011411800000000, 0.0000000000000000, -0.0015216400000000 ] - [ -0.0001605400000000, -0.0004762200000000, 0.0002501100000000 ] - [ -0.0001605400000000, 0.0004762200000000, 0.0002501100000000 ] - [ -0.0000492900000000, 0.0000000000000000, -0.0024657800000000 ] - [ -0.0001594700000000, -0.0000347000000000, -0.0021592300000000 ] - [ -0.0001594700000000, 0.0000347000000000, -0.0021592300000000 ] - [ -0.0013370500000000, 0.0000000000000000, -0.0005383800000000 ] - [ -0.0010282800000000, 0.0004958300000000, -0.0004586400000000 ] - [ -0.0010282800000000, -0.0004958300000000, -0.0004586400000000 ] - [ -0.0015638200000000, 0.0007370800000000, 0.0033221800000000 ] - [ 0.0013644400000000, 0.0000000000000000, 0.0011947800000000 ] - [ -0.0015638200000000, -0.0007370800000000, 0.0033221800000000 ] - [ 0.0014796200000000, -0.0001353100000000, -0.0029833900000000 ] - [ 0.0006569200000000, 0.0000000000000000, -0.0013114900000000 ] - [ 0.0014796200000000, 0.0001353100000000, -0.0029833900000000 ] - [ -0.0000451000000000, 0.0003520300000000, -0.0023815100000000 ] - [ 0.0001005700000000, 0.0000000000000000, -0.0020954500000000 ] - [ -0.0000451000000000, -0.0003520300000000, -0.0023815100000000 ] - [ -0.0016500800000000, 0.0016864300000000, 0.0071479800000000 ] - [ -0.0003611200000000, 0.0000000000000000, 0.0031378500000000 ] - [ -0.0016500800000000, -0.0016864300000000, 0.0071479800000000 ] - [ 0.0006840000000000, -0.0005445000000000, -0.0011694500000000 ] - [ 0.0006233500000000, 0.0000000000000000, -0.0009332800000000 ] - [ 0.0006840000000000, 0.0005445000000000, -0.0011694500000000 ] - [ 0.0028927900000000, 0.0013938300000000, -0.0022790600000000 ] - [ 0.0011952100000000, 0.0000000000000000, 0.0001636500000000 ] - [ 0.0028927900000000, -0.0013938300000000, -0.0022790600000000 ] - [ -0.1178899800000000, 0.0000000000000000, 0.3813124800000000 ] - [ 0.0002488200000000, 0.0005865100000000, 0.0036727400000000 ] - [ 0.0002488200000000, -0.0005865100000000, 0.0036727400000000 ] - [ 0.0007425700000000, 0.0000000000000000, -0.0030249900000000 ] - [ 0.0003803400000000, -0.0001089000000000, -0.0019113300000000 ] - [ 0.0003803400000000, 0.0001089000000000, -0.0019113300000000 ] - [ -0.0010034000000000, 0.0000000000000000, -0.0030285200000000 ] - [ -0.0003873100000000, 0.0011548300000000, -0.0019122900000000 ] - [ -0.0003873100000000, -0.0011548300000000, -0.0019122900000000 ] - [ 0.0015941500000000, 0.0000000000000000, 0.0022341800000000 ] - [ 0.0003181800000000, 0.0002945300000000, 0.0015132700000000 ] - [ 0.0003181800000000, -0.0002945300000000, 0.0015132700000000 ] - [ -0.0008441100000000, 0.0000000000000000, -0.0004384800000000 ] - [ -0.0003785300000000, -0.0001825900000000, -0.0002928200000000 ] - [ -0.0003785300000000, 0.0001825900000000, -0.0002928200000000 ] - [ 0.0003588300000000, 0.0000000000000000, -0.0005797000000000 ] - [ 0.0002334400000000, 0.0001158000000000, -0.0003136900000000 ] - [ 0.0002334400000000, -0.0001158000000000, -0.0003136900000000 ] - [ 0.0081830200000000, -0.0078630900000000, -0.0073790700000000 ] - [ 0.0004770100000000, 0.0000000000000000, 0.0011210700000000 ] - [ 0.0081830200000000, 0.0078630900000000, -0.0073790700000000 ] - [ 0.0001345900000000, -0.0000903900000000, -0.0011042300000000 ] - [ 0.0001171200000000, 0.0000000000000000, -0.0008769200000000 ] - [ 0.0001345900000000, 0.0000903900000000, -0.0011042300000000 ] - [ -0.0026848300000000, 0.0017074300000000, -0.0008646100000000 ] - [ -0.0005828500000000, 0.0000000000000000, 0.0009103300000000 ] - [ -0.0026848300000000, -0.0017074300000000, -0.0008646100000000 ] - [ -0.0005205700000000, -0.0003684300000000, 0.0006555300000000 ] - [ -0.0005408900000000, 0.0000000000000000, 0.0002923700000000 ] - [ -0.0005205700000000, 0.0003684300000000, 0.0006555300000000 ] - [ -0.0000689700000000, 0.0001128100000000, -0.0018002000000000 ] - [ -0.0000441200000000, 0.0000000000000000, -0.0016226600000000 ] - [ -0.0000689700000000, -0.0001128100000000, -0.0018002000000000 ] - [ 0.0017094000000000, 0.0013329100000000, 0.0006562800000000 ] - [ 0.0003070200000000, 0.0000000000000000, 0.0002935500000000 ] - [ 0.0017094000000000, -0.0013329100000000, 0.0006562800000000 ]