# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5cf0da0b-4434-4aff-8b9f-cc7011cde700/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 TaAlO4 / Pbcn (60) / materials id 8898](https://mdr.nims.go.jp/datasets/38733e4a-fccf-441d-abc6-d2bba4a07b0a) ## 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: "Pbcn" number: 60 Hall_symbol: "-P 2n 2ab"supercell_matrix:- [ 3, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.474471469999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.297756240000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.767082800000000 ] # c points: - symbol: O # 1 coordinates: [ 0.733079530000000, 0.942460340000000, 0.422893180000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.233079530000000, 0.557539660000000, 0.577106820000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.766920470000000, 0.557539660000000, 0.922893180000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.266920470000000, 0.942460340000000, 0.077106820000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.266920470000000, 0.057539660000000, 0.577106820000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.766920470000000, 0.442460340000000, 0.422893180000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.233079530000000, 0.442460340000000, 0.077106820000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.733079530000000, 0.057539660000000, 0.922893180000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.773574050000000, 0.312459050000000, 0.919047200000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.273574050000000, 0.187540950000000, 0.080952800000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.726425950000000, 0.187540950000000, 0.419047200000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.226425950000000, 0.312459050000000, 0.580952800000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.226425950000000, 0.687540950000000, 0.080952800000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.726425950000000, 0.812459050000000, 0.919047200000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.273574050000000, 0.812459050000000, 0.580952800000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.773574050000000, 0.687540950000000, 0.419047200000000 ] mass: 15.999400 - symbol: Al # 17 coordinates: [ 0.500000000000000, 0.935054160000000, 0.750000000000000 ] mass: 26.981539 - symbol: Al # 18 coordinates: [ 0.000000000000000, 0.564945840000000, 0.250000000000000 ] mass: 26.981539 - symbol: Al # 19 coordinates: [ 0.500000000000000, 0.064945840000000, 0.250000000000000 ] mass: 26.981539 - symbol: Al # 20 coordinates: [ 0.000000000000000, 0.435054160000000, 0.750000000000000 ] mass: 26.981539 - symbol: Ta # 21 coordinates: [ 0.500000000000000, 0.668752770000000, 0.750000000000000 ] mass: 180.947880 - symbol: Ta # 22 coordinates: [ 0.000000000000000, 0.831247230000000, 0.250000000000000 ] mass: 180.947880 - symbol: Ta # 23 coordinates: [ 0.500000000000000, 0.331247230000000, 0.250000000000000 ] mass: 180.947880 - symbol: Ta # 24 coordinates: [ 0.000000000000000, 0.168752770000000, 0.750000000000000 ] mass: 180.947880 reciprocal_lattice: # without 2pi - [ 0.223490082952747, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.088513150643087, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.209771896556947 ] # c*unit_cell: lattice: - [ 4.474471470000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.297756240000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 4.767082800000000 ] # c points: - symbol: O # 1 coordinates: [ 0.733079530000000, 0.942460340000000, 0.422893180000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.233079530000000, 0.557539660000000, 0.577106820000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.766920470000000, 0.557539660000000, 0.922893180000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.266920470000000, 0.942460340000000, 0.077106820000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.266920470000000, 0.057539660000000, 0.577106820000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.766920470000000, 0.442460340000000, 0.422893180000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.233079530000000, 0.442460340000000, 0.077106820000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.733079530000000, 0.057539660000000, 0.922893180000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.773574050000000, 0.312459050000000, 0.919047200000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.273574050000000, 0.187540950000000, 0.080952800000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.726425950000000, 0.187540950000000, 0.419047200000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.226425950000000, 0.312459050000000, 0.580952800000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.226425950000000, 0.687540950000000, 0.080952800000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.726425950000000, 0.812459050000000, 0.919047200000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.273574050000000, 0.812459050000000, 0.580952800000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.773574050000000, 0.687540950000000, 0.419047200000000 ] mass: 15.999400 reduced_to: 16 - symbol: Al # 17 coordinates: [ 0.500000000000000, 0.935054160000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 17 - symbol: Al # 18 coordinates: [ 0.000000000000000, 0.564945840000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 18 - symbol: Al # 19 coordinates: [ 0.500000000000000, 0.064945840000000, 0.250000000000000 ] mass: 26.981539 reduced_to: 19 - symbol: Al # 20 coordinates: [ 0.000000000000000, 0.435054160000000, 0.750000000000000 ] mass: 26.981539 reduced_to: 20 - symbol: Ta # 21 coordinates: [ 0.500000000000000, 0.668752770000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 21 - symbol: Ta # 22 coordinates: [ 0.000000000000000, 0.831247230000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 22 - symbol: Ta # 23 coordinates: [ 0.500000000000000, 0.331247230000000, 0.250000000000000 ] mass: 180.947880 reduced_to: 23 - symbol: Ta # 24 coordinates: [ 0.000000000000000, 0.168752770000000, 0.750000000000000 ] mass: 180.947880 reduced_to: 24supercell: lattice: - [ 13.423414409999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 11.297756240000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.534165600000000 ] # c points: - symbol: O # 1 coordinates: [ 0.244359843333333, 0.942460340000000, 0.211446590000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.577693176666667, 0.942460340000000, 0.211446590000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.911026510000000, 0.942460340000000, 0.211446590000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 4 coordinates: [ 0.244359843333333, 0.942460340000000, 0.711446590000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 5 coordinates: [ 0.577693176666667, 0.942460340000000, 0.711446590000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 6 coordinates: [ 0.911026510000000, 0.942460340000000, 0.711446590000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 7 coordinates: [ 0.077693176666667, 0.557539660000000, 0.288553410000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.411026510000000, 0.557539660000000, 0.288553410000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.744359843333333, 0.557539660000000, 0.288553410000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 10 coordinates: [ 0.077693176666667, 0.557539660000000, 0.788553410000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 11 coordinates: [ 0.411026510000000, 0.557539660000000, 0.788553410000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 12 coordinates: [ 0.744359843333333, 0.557539660000000, 0.788553410000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 13 coordinates: [ 0.255640156666667, 0.557539660000000, 0.461446590000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.588973490000000, 0.557539660000000, 0.461446590000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.922306823333333, 0.557539660000000, 0.461446590000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 16 coordinates: [ 0.255640156666667, 0.557539660000000, 0.961446590000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 17 coordinates: [ 0.588973490000000, 0.557539660000000, 0.961446590000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 18 coordinates: [ 0.922306823333333, 0.557539660000000, 0.961446590000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 19 coordinates: [ 0.088973490000000, 0.942460340000000, 0.038553410000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.422306823333333, 0.942460340000000, 0.038553410000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.755640156666667, 0.942460340000000, 0.038553410000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 22 coordinates: [ 0.088973490000000, 0.942460340000000, 0.538553410000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 23 coordinates: [ 0.422306823333333, 0.942460340000000, 0.538553410000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 24 coordinates: [ 0.755640156666667, 0.942460340000000, 0.538553410000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 25 coordinates: [ 0.088973490000000, 0.057539660000000, 0.288553410000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.422306823333333, 0.057539660000000, 0.288553410000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.755640156666667, 0.057539660000000, 0.288553410000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 28 coordinates: [ 0.088973490000000, 0.057539660000000, 0.788553410000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 29 coordinates: [ 0.422306823333333, 0.057539660000000, 0.788553410000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 30 coordinates: [ 0.755640156666667, 0.057539660000000, 0.788553410000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 31 coordinates: [ 0.255640156666667, 0.442460340000000, 0.211446590000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.588973490000000, 0.442460340000000, 0.211446590000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.922306823333333, 0.442460340000000, 0.211446590000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 34 coordinates: [ 0.255640156666667, 0.442460340000000, 0.711446590000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 35 coordinates: [ 0.588973490000000, 0.442460340000000, 0.711446590000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 36 coordinates: [ 0.922306823333333, 0.442460340000000, 0.711446590000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 37 coordinates: [ 0.077693176666667, 0.442460340000000, 0.038553410000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.411026510000000, 0.442460340000000, 0.038553410000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.744359843333333, 0.442460340000000, 0.038553410000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 40 coordinates: [ 0.077693176666667, 0.442460340000000, 0.538553410000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 41 coordinates: [ 0.411026510000000, 0.442460340000000, 0.538553410000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 42 coordinates: [ 0.744359843333333, 0.442460340000000, 0.538553410000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 43 coordinates: [ 0.244359843333333, 0.057539660000000, 0.461446590000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.577693176666667, 0.057539660000000, 0.461446590000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.911026510000000, 0.057539660000000, 0.461446590000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 46 coordinates: [ 0.244359843333333, 0.057539660000000, 0.961446590000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 47 coordinates: [ 0.577693176666667, 0.057539660000000, 0.961446590000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 48 coordinates: [ 0.911026510000000, 0.057539660000000, 0.961446590000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 49 coordinates: [ 0.257858016666667, 0.312459050000000, 0.459523600000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.591191350000000, 0.312459050000000, 0.459523600000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.924524683333333, 0.312459050000000, 0.459523600000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.257858016666667, 0.312459050000000, 0.959523600000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.591191350000000, 0.312459050000000, 0.959523600000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 54 coordinates: [ 0.924524683333333, 0.312459050000000, 0.959523600000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 55 coordinates: [ 0.091191350000000, 0.187540950000000, 0.040476400000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.424524683333333, 0.187540950000000, 0.040476400000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.757858016666667, 0.187540950000000, 0.040476400000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 58 coordinates: [ 0.091191350000000, 0.187540950000000, 0.540476400000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 59 coordinates: [ 0.424524683333333, 0.187540950000000, 0.540476400000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 60 coordinates: [ 0.757858016666667, 0.187540950000000, 0.540476400000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 61 coordinates: [ 0.242141983333333, 0.187540950000000, 0.209523600000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.575475316666667, 0.187540950000000, 0.209523600000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.908808650000000, 0.187540950000000, 0.209523600000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.242141983333333, 0.187540950000000, 0.709523600000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.575475316666667, 0.187540950000000, 0.709523600000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 66 coordinates: [ 0.908808650000000, 0.187540950000000, 0.709523600000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 67 coordinates: [ 0.075475316666667, 0.312459050000000, 0.290476400000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.408808650000000, 0.312459050000000, 0.290476400000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.742141983333333, 0.312459050000000, 0.290476400000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 70 coordinates: [ 0.075475316666667, 0.312459050000000, 0.790476400000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 71 coordinates: [ 0.408808650000000, 0.312459050000000, 0.790476400000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 72 coordinates: [ 0.742141983333333, 0.312459050000000, 0.790476400000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 73 coordinates: [ 0.075475316666667, 0.687540950000000, 0.040476400000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.408808650000000, 0.687540950000000, 0.040476400000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.742141983333333, 0.687540950000000, 0.040476400000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.075475316666667, 0.687540950000000, 0.540476400000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.408808650000000, 0.687540950000000, 0.540476400000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 78 coordinates: [ 0.742141983333333, 0.687540950000000, 0.540476400000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 79 coordinates: [ 0.242141983333333, 0.812459050000000, 0.459523600000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.575475316666667, 0.812459050000000, 0.459523600000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.908808650000000, 0.812459050000000, 0.459523600000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 82 coordinates: [ 0.242141983333333, 0.812459050000000, 0.959523600000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 83 coordinates: [ 0.575475316666667, 0.812459050000000, 0.959523600000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 84 coordinates: [ 0.908808650000000, 0.812459050000000, 0.959523600000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 85 coordinates: [ 0.091191350000000, 0.812459050000000, 0.290476400000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.424524683333333, 0.812459050000000, 0.290476400000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.757858016666667, 0.812459050000000, 0.290476400000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.091191350000000, 0.812459050000000, 0.790476400000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.424524683333333, 0.812459050000000, 0.790476400000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 90 coordinates: [ 0.757858016666667, 0.812459050000000, 0.790476400000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 91 coordinates: [ 0.257858016666667, 0.687540950000000, 0.209523600000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.591191350000000, 0.687540950000000, 0.209523600000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.924524683333333, 0.687540950000000, 0.209523600000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 94 coordinates: [ 0.257858016666667, 0.687540950000000, 0.709523600000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 95 coordinates: [ 0.591191350000000, 0.687540950000000, 0.709523600000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 96 coordinates: [ 0.924524683333333, 0.687540950000000, 0.709523600000000 ] mass: 15.999400 reduced_to: 91 - symbol: Al # 97 coordinates: [ 0.166666666666667, 0.935054160000000, 0.375000000000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 98 coordinates: [ 0.500000000000000, 0.935054160000000, 0.375000000000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 99 coordinates: [ 0.833333333333333, 0.935054160000000, 0.375000000000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 100 coordinates: [ 0.166666666666667, 0.935054160000000, 0.875000000000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 101 coordinates: [ 0.500000000000000, 0.935054160000000, 0.875000000000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 102 coordinates: [ 0.833333333333333, 0.935054160000000, 0.875000000000000 ] mass: 26.981539 reduced_to: 97 - symbol: Al # 103 coordinates: [ 0.000000000000000, 0.564945840000000, 0.125000000000000 ] mass: 26.981539 reduced_to: 103 - symbol: Al # 104 coordinates: [ 0.333333333333333, 0.564945840000000, 0.125000000000000 ] mass: 26.981539 reduced_to: 103 - symbol: Al # 105 coordinates: [ 0.666666666666667, 0.564945840000000, 0.125000000000000 ] mass: 26.981539 reduced_to: 103 - symbol: Al # 106 coordinates: [ 0.000000000000000, 0.564945840000000, 0.625000000000000 ] mass: 26.981539 reduced_to: 103 - symbol: Al # 107 coordinates: [ 0.333333333333333, 0.564945840000000, 0.625000000000000 ] mass: 26.981539 reduced_to: 103 - symbol: Al # 108 coordinates: [ 0.666666666666667, 0.564945840000000, 0.625000000000000 ] mass: 26.981539 reduced_to: 103 - symbol: Al # 109 coordinates: [ 0.166666666666667, 0.064945840000000, 0.125000000000000 ] mass: 26.981539 reduced_to: 109 - symbol: Al # 110 coordinates: [ 0.500000000000000, 0.064945840000000, 0.125000000000000 ] mass: 26.981539 reduced_to: 109 - symbol: Al # 111 coordinates: [ 0.833333333333333, 0.064945840000000, 0.125000000000000 ] mass: 26.981539 reduced_to: 109 - symbol: Al # 112 coordinates: [ 0.166666666666667, 0.064945840000000, 0.625000000000000 ] mass: 26.981539 reduced_to: 109 - symbol: Al # 113 coordinates: [ 0.500000000000000, 0.064945840000000, 0.625000000000000 ] mass: 26.981539 reduced_to: 109 - symbol: Al # 114 coordinates: [ 0.833333333333333, 0.064945840000000, 0.625000000000000 ] mass: 26.981539 reduced_to: 109 - symbol: Al # 115 coordinates: [ 0.000000000000000, 0.435054160000000, 0.375000000000000 ] mass: 26.981539 reduced_to: 115 - symbol: Al # 116 coordinates: [ 0.333333333333333, 0.435054160000000, 0.375000000000000 ] mass: 26.981539 reduced_to: 115 - symbol: Al # 117 coordinates: [ 0.666666666666667, 0.435054160000000, 0.375000000000000 ] mass: 26.981539 reduced_to: 115 - symbol: Al # 118 coordinates: [ 0.000000000000000, 0.435054160000000, 0.875000000000000 ] mass: 26.981539 reduced_to: 115 - symbol: Al # 119 coordinates: [ 0.333333333333333, 0.435054160000000, 0.875000000000000 ] mass: 26.981539 reduced_to: 115 - symbol: Al # 120 coordinates: [ 0.666666666666667, 0.435054160000000, 0.875000000000000 ] mass: 26.981539 reduced_to: 115 - symbol: Ta # 121 coordinates: [ 0.166666666666667, 0.668752770000000, 0.375000000000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 122 coordinates: [ 0.500000000000000, 0.668752770000000, 0.375000000000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 123 coordinates: [ 0.833333333333333, 0.668752770000000, 0.375000000000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 124 coordinates: [ 0.166666666666667, 0.668752770000000, 0.875000000000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 125 coordinates: [ 0.500000000000000, 0.668752770000000, 0.875000000000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 126 coordinates: [ 0.833333333333333, 0.668752770000000, 0.875000000000000 ] mass: 180.947880 reduced_to: 121 - symbol: Ta # 127 coordinates: [ 0.000000000000000, 0.831247230000000, 0.125000000000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 128 coordinates: [ 0.333333333333333, 0.831247230000000, 0.125000000000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 129 coordinates: [ 0.666666666666667, 0.831247230000000, 0.125000000000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 130 coordinates: [ 0.000000000000000, 0.831247230000000, 0.625000000000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 131 coordinates: [ 0.333333333333333, 0.831247230000000, 0.625000000000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 132 coordinates: [ 0.666666666666667, 0.831247230000000, 0.625000000000000 ] mass: 180.947880 reduced_to: 127 - symbol: Ta # 133 coordinates: [ 0.166666666666667, 0.331247230000000, 0.125000000000000 ] mass: 180.947880 reduced_to: 133 - symbol: Ta # 134 coordinates: [ 0.500000000000000, 0.331247230000000, 0.125000000000000 ] mass: 180.947880 reduced_to: 133 - symbol: Ta # 135 coordinates: [ 0.833333333333333, 0.331247230000000, 0.125000000000000 ] mass: 180.947880 reduced_to: 133 - symbol: Ta # 136 coordinates: [ 0.166666666666667, 0.331247230000000, 0.625000000000000 ] mass: 180.947880 reduced_to: 133 - symbol: Ta # 137 coordinates: [ 0.500000000000000, 0.331247230000000, 0.625000000000000 ] mass: 180.947880 reduced_to: 133 - symbol: Ta # 138 coordinates: [ 0.833333333333333, 0.331247230000000, 0.625000000000000 ] mass: 180.947880 reduced_to: 133 - symbol: Ta # 139 coordinates: [ 0.000000000000000, 0.168752770000000, 0.375000000000000 ] mass: 180.947880 reduced_to: 139 - symbol: Ta # 140 coordinates: [ 0.333333333333333, 0.168752770000000, 0.375000000000000 ] mass: 180.947880 reduced_to: 139 - symbol: Ta # 141 coordinates: [ 0.666666666666667, 0.168752770000000, 0.375000000000000 ] mass: 180.947880 reduced_to: 139 - symbol: Ta # 142 coordinates: [ 0.000000000000000, 0.168752770000000, 0.875000000000000 ] mass: 180.947880 reduced_to: 139 - symbol: Ta # 143 coordinates: [ 0.333333333333333, 0.168752770000000, 0.875000000000000 ] mass: 180.947880 reduced_to: 139 - symbol: Ta # 144 coordinates: [ 0.666666666666667, 0.168752770000000, 0.875000000000000 ] mass: 180.947880 reduced_to: 139born_effective_charge:- # 1 (O) - [ -2.610331810000000, 1.181682510000000, 0.722435430000000 ] - [ 1.132982990000000, -2.635105760000000, -0.541479580000000 ] - [ 0.775423700000000, -0.522611230000000, -2.074710310000000 ]- # 2 (O) - [ -2.610331810000000, -1.181682510000000, -0.722435430000000 ] - [ -1.132982990000000, -2.635105760000000, -0.541479580000000 ] - [ -0.775423700000000, -0.522611230000000, -2.074710310000000 ]- # 3 (O) - [ -2.610331810000000, 1.181682510000000, -0.722435430000000 ] - [ 1.132982990000000, -2.635105760000000, 0.541479580000000 ] - [ -0.775423700000000, 0.522611230000000, -2.074710310000000 ]- # 4 (O) - [ -2.610331810000000, -1.181682510000000, 0.722435430000000 ] - [ -1.132982990000000, -2.635105760000000, 0.541479580000000 ] - [ 0.775423700000000, 0.522611230000000, -2.074710310000000 ]- # 5 (O) - [ -2.610331810000000, 1.181682510000000, 0.722435430000000 ] - [ 1.132982990000000, -2.635105760000000, -0.541479580000000 ] - [ 0.775423700000000, -0.522611230000000, -2.074710310000000 ]- # 6 (O) - [ -2.610331810000000, -1.181682510000000, -0.722435430000000 ] - [ -1.132982990000000, -2.635105760000000, -0.541479580000000 ] - [ -0.775423700000000, -0.522611230000000, -2.074710310000000 ]- # 7 (O) - [ -2.610331810000000, 1.181682510000000, -0.722435430000000 ] - [ 1.132982990000000, -2.635105760000000, 0.541479580000000 ] - [ -0.775423700000000, 0.522611230000000, -2.074710310000000 ]- # 8 (O) - [ -2.610331810000000, -1.181682510000000, 0.722435430000000 ] - [ -1.132982990000000, -2.635105760000000, 0.541479580000000 ] - [ 0.775423700000000, 0.522611230000000, -2.074710310000000 ]- # 9 (O) - [ -2.856392650000000, 0.874381450000000, 1.626948670000000 ] - [ 0.467446280000000, -2.209423460000000, -0.463784630000000 ] - [ 1.532141820000000, -0.636782120000000, -3.049781770000000 ]- # 10 (O) - [ -2.856392650000000, -0.874381450000000, -1.626948670000000 ] - [ -0.467446280000000, -2.209423460000000, -0.463784630000000 ] - [ -1.532141820000000, -0.636782120000000, -3.049781770000000 ]- # 11 (O) - [ -2.856392650000000, 0.874381450000000, -1.626948670000000 ] - [ 0.467446280000000, -2.209423460000000, 0.463784630000000 ] - [ -1.532141820000000, 0.636782120000000, -3.049781770000000 ]- # 12 (O) - [ -2.856392650000000, -0.874381450000000, 1.626948670000000 ] - [ -0.467446280000000, -2.209423460000000, 0.463784630000000 ] - [ 1.532141820000000, 0.636782120000000, -3.049781770000000 ]- # 13 (O) - [ -2.856392650000000, 0.874381450000000, 1.626948670000000 ] - [ 0.467446280000000, -2.209423460000000, -0.463784630000000 ] - [ 1.532141820000000, -0.636782120000000, -3.049781770000000 ]- # 14 (O) - [ -2.856392650000000, -0.874381450000000, -1.626948670000000 ] - [ -0.467446280000000, -2.209423460000000, -0.463784630000000 ] - [ -1.532141820000000, -0.636782120000000, -3.049781770000000 ]- # 15 (O) - [ -2.856392650000000, 0.874381450000000, -1.626948670000000 ] - [ 0.467446280000000, -2.209423460000000, 0.463784630000000 ] - [ -1.532141820000000, 0.636782120000000, -3.049781770000000 ]- # 16 (O) - [ -2.856392650000000, -0.874381450000000, 1.626948670000000 ] - [ -0.467446280000000, -2.209423460000000, 0.463784630000000 ] - [ 1.532141820000000, 0.636782120000000, -3.049781770000000 ]- # 17 (Al) - [ 3.628361280000000, 0.000000000000000, -0.157510530000000 ] - [ 0.000000000000000, 3.779431520000000, 0.000000000000000 ] - [ -0.282506980000000, 0.000000000000000, 3.288132170000000 ]- # 18 (Al) - [ 3.628361280000000, 0.000000000000000, 0.157510530000000 ] - [ 0.000000000000000, 3.779431520000000, 0.000000000000000 ] - [ 0.282506980000000, 0.000000000000000, 3.288132170000000 ]- # 19 (Al) - [ 3.628361280000000, 0.000000000000000, -0.157510530000000 ] - [ 0.000000000000000, 3.779431520000000, 0.000000000000000 ] - [ -0.282506980000000, 0.000000000000000, 3.288132170000000 ]- # 20 (Al) - [ 3.628361280000000, 0.000000000000000, 0.157510530000000 ] - [ 0.000000000000000, 3.779431520000000, 0.000000000000000 ] - [ 0.282506980000000, 0.000000000000000, 3.288132170000000 ]- # 21 (Ta) - [ 7.305087650000000, 0.000000000000000, -0.369588850000000 ] - [ 0.000000000000000, 5.909626910000000, 0.000000000000000 ] - [ 0.100467670000000, 0.000000000000000, 6.960852000000000 ]- # 22 (Ta) - [ 7.305087650000000, 0.000000000000000, 0.369588850000000 ] - [ 0.000000000000000, 5.909626910000000, 0.000000000000000 ] - [ -0.100467670000000, 0.000000000000000, 6.960852000000000 ]- # 23 (Ta) - [ 7.305087650000000, 0.000000000000000, -0.369588850000000 ] - [ 0.000000000000000, 5.909626910000000, 0.000000000000000 ] - [ 0.100467670000000, 0.000000000000000, 6.960852000000000 ]- # 24 (Ta) - [ 7.305087650000000, 0.000000000000000, 0.369588850000000 ] - [ 0.000000000000000, 5.909626910000000, 0.000000000000000 ] - [ -0.100467670000000, 0.000000000000000, 6.960852000000000 ]dielectric_constant: - [ 5.280835530000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.636758900000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.934478180000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1810882100000000, 0.0844969200000000, 0.0668476100000000 ] - [ 0.0029653200000000, 0.0014318800000000, 0.0008369000000000 ] - [ 0.0029649400000000, 0.0010530400000000, 0.0006853400000000 ] - [ -0.0015585300000000, 0.0033299900000000, 0.0007961500000000 ] - [ 0.0008142100000000, 0.0019418400000000, 0.0005228900000000 ] - [ 0.0008210400000000, 0.0017186900000000, 0.0008913600000000 ] - [ -0.0006736300000000, -0.0014846700000000, -0.0011952200000000 ] - [ -0.0006807100000000, -0.0037334500000000, -0.0000117100000000 ] - [ 0.0018352100000000, -0.0012239100000000, -0.0005912400000000 ] - [ -0.0012654900000000, -0.0027006800000000, -0.0017304200000000 ] - [ -0.0012721600000000, -0.0036226300000000, -0.0026881100000000 ] - [ 0.0016336200000000, -0.0012711000000000, -0.0006866500000000 ] - [ -0.0023831600000000, -0.0005781500000000, 0.0001722100000000 ] - [ 0.0024025200000000, -0.0037743100000000, 0.0022425500000000 ] - [ 0.0004054500000000, -0.0022023300000000, 0.0010353000000000 ] - [ -0.0023858600000000, -0.0023206000000000, -0.0000887100000000 ] - [ 0.0024023800000000, -0.0037857600000000, 0.0011849500000000 ] - [ 0.0004057700000000, -0.0019462000000000, 0.0015188900000000 ] - [ 0.0170640400000000, 0.0083839500000000, 0.0121081000000000 ] - [ 0.0138267600000000, 0.0096102600000000, -0.0108964200000000 ] - [ 0.0023349000000000, 0.0031100200000000, -0.0016002100000000 ] - [ 0.0006861500000000, 0.0030548800000000, -0.0039815500000000 ] - [ -0.0008918100000000, 0.0023356500000000, 0.0002802200000000 ] - [ 0.0017233700000000, 0.0029252200000000, -0.0017132900000000 ] - [ 0.0299747700000000, -0.0266975500000000, -0.0152073100000000 ] - [ 0.0032528100000000, 0.0079650400000000, 0.0047248300000000 ] - [ 0.0016270200000000, -0.0022085600000000, -0.0013293200000000 ] - [ -0.0006731300000000, -0.0019804900000000, -0.0004271600000000 ] - [ -0.0011157300000000, 0.0000915200000000, -0.0017602700000000 ] - [ 0.0010079600000000, -0.0020637400000000, -0.0013917800000000 ] - [ -0.0020085100000000, -0.0003678000000000, 0.0007275300000000 ] - [ 0.0005680000000000, 0.0014116700000000, 0.0013779100000000 ] - [ 0.0004860800000000, 0.0018823900000000, 0.0014411600000000 ] - [ -0.0015809400000000, 0.0004843100000000, 0.0001923900000000 ] - [ 0.0001439700000000, 0.0011941800000000, 0.0008788200000000 ] - [ -0.0000730900000000, 0.0014954400000000, 0.0008159800000000 ] - [ 0.0002020600000000, 0.0011718400000000, -0.0006106500000000 ] - [ 0.0001964300000000, -0.0006084600000000, -0.0007414900000000 ] - [ 0.0016837400000000, 0.0006740700000000, -0.0004038800000000 ] - [ -0.0002801300000000, 0.0015287800000000, -0.0014871500000000 ] - [ -0.0002827400000000, 0.0011776500000000, -0.0010951200000000 ] - [ 0.0015069400000000, 0.0007818400000000, -0.0007083400000000 ] - [ -0.0048496100000000, -0.0058314500000000, -0.0011891000000000 ] - [ 0.0012593200000000, -0.0007012600000000, 0.0010754900000000 ] - [ 0.0027908400000000, -0.0002240300000000, -0.0006641700000000 ] - [ -0.0048687100000000, -0.0023339200000000, 0.0040090100000000 ] - [ 0.0027954000000000, 0.0005966300000000, -0.0002236000000000 ] - [ 0.0012701200000000, -0.0021530300000000, 0.0016298500000000 ] - [ -0.0013539700000000, 0.0007547500000000, -0.0003109000000000 ] - [ 0.0005011400000000, 0.0000792100000000, -0.0009072400000000 ] - [ 0.0028988700000000, -0.0034419900000000, -0.0033614800000000 ] - [ -0.0015591400000000, 0.0004782900000000, 0.0003720900000000 ] - [ 0.0007079700000000, 0.0001431000000000, -0.0011394900000000 ] - [ 0.0005755100000000, -0.0000608700000000, -0.0008497200000000 ] - [ 0.0002085600000000, -0.0029337700000000, 0.0024321600000000 ] - [ -0.0007455700000000, 0.0013835800000000, -0.0000696500000000 ] - [ 0.0014165900000000, -0.0001467900000000, 0.0016551600000000 ] - [ -0.0018597400000000, -0.0021244200000000, -0.0018692200000000 ] - [ -0.0009549900000000, -0.0004447800000000, 0.0004575700000000 ] - [ 0.0013465400000000, -0.0003199300000000, 0.0012554700000000 ] - [ -0.0037577000000000, -0.0050968300000000, -0.0023376200000000 ] - [ 0.0010877300000000, -0.0002440200000000, -0.0000608600000000 ] - [ 0.0027974700000000, -0.0022314100000000, 0.0012580300000000 ] - [ -0.0013192600000000, -0.0004643100000000, -0.0018943400000000 ] - [ 0.0002951300000000, -0.0004247100000000, -0.0007043800000000 ] - [ 0.0008331400000000, -0.0010153800000000, -0.0005396000000000 ] - [ -0.0010174700000000, -0.0015289600000000, 0.0017781100000000 ] - [ -0.0013360300000000, -0.0002348700000000, 0.0014420700000000 ] - [ 0.0013329100000000, 0.0007229400000000, 0.0001772900000000 ] - [ -0.0003729700000000, -0.0002039600000000, 0.0010104900000000 ] - [ -0.0006685600000000, -0.0001503400000000, 0.0009259900000000 ] - [ 0.0013511100000000, 0.0010412700000000, -0.0002573000000000 ] - [ -0.0025885200000000, 0.0016122600000000, 0.0034521000000000 ] - [ 0.0142880400000000, -0.0219053000000000, -0.0125070700000000 ] - [ 0.0024405200000000, -0.0012224500000000, -0.0003879800000000 ] - [ -0.0006631200000000, 0.0005240200000000, 0.0003014700000000 ] - [ -0.0016042900000000, -0.0007567000000000, 0.0023216700000000 ] - [ 0.0020013800000000, -0.0010373300000000, -0.0005337100000000 ] - [ -0.0047168200000000, 0.0022482100000000, -0.0039012500000000 ] - [ 0.0022890800000000, 0.0011465200000000, 0.0013739700000000 ] - [ 0.0011109300000000, 0.0013919000000000, -0.0010319700000000 ] - [ -0.0111710500000000, -0.0001545400000000, -0.0079820400000000 ] - [ 0.0035655800000000, 0.0004402700000000, -0.0001518900000000 ] - [ 0.0038843600000000, 0.0025537500000000, 0.0025821100000000 ] - [ 0.0151750800000000, 0.0190365600000000, -0.0032812600000000 ] - [ 0.0138475100000000, -0.0069082300000000, 0.0111790600000000 ] - [ 0.0024030900000000, 0.0002062400000000, 0.0020735100000000 ] - [ -0.0021104200000000, 0.0019712200000000, -0.0001203500000000 ] - [ -0.0013727200000000, 0.0012576400000000, -0.0026262100000000 ] - [ 0.0017945000000000, 0.0002424200000000, 0.0017858700000000 ] - [ -0.0085401600000000, -0.0064082900000000, 0.0055488900000000 ] - [ 0.0029298600000000, -0.0008231700000000, -0.0014885700000000 ] - [ 0.0033403300000000, 0.0026229900000000, -0.0021834500000000 ] - [ -0.0013433800000000, -0.0010237100000000, -0.0009412900000000 ] - [ 0.0028675900000000, 0.0001575900000000, -0.0034497300000000 ] - [ 0.0005280100000000, 0.0001622500000000, -0.0011605400000000 ] - [ 0.0220907400000000, -0.0025959700000000, -0.0076005700000000 ] - [ -0.0038807000000000, -0.0034242300000000, -0.0032348800000000 ] - [ -0.0033607900000000, -0.0009212800000000, 0.0007385600000000 ] - [ 0.0054956800000000, -0.0030584200000000, -0.0031372400000000 ] - [ -0.0036374700000000, -0.0015103300000000, 0.0061051800000000 ] - [ -0.0026119000000000, 0.0004271800000000, -0.0003365600000000 ] - [ 0.0001489900000000, -0.0008958800000000, -0.0006381200000000 ] - [ 0.0039172500000000, 0.0052653500000000, -0.0017818400000000 ] - [ -0.0025850800000000, 0.0009144600000000, -0.0004365000000000 ] - [ 0.0000986400000000, -0.0001728800000000, 0.0006220000000000 ] - [ 0.0020677400000000, 0.0009858200000000, 0.0010371400000000 ] - [ -0.0019430200000000, 0.0007988200000000, -0.0002926000000000 ] - [ 0.0158622900000000, 0.0003672200000000, -0.0042821200000000 ] - [ -0.0048398400000000, -0.0055762000000000, -0.0016173600000000 ] - [ -0.0032195500000000, -0.0001461800000000, -0.0009123700000000 ] - [ 0.0016475800000000, -0.0007877200000000, 0.0017490300000000 ] - [ -0.0002472200000000, -0.0010355400000000, 0.0000847300000000 ] - [ -0.0021282800000000, -0.0005044700000000, 0.0010728000000000 ] - [ -0.0000825500000000, 0.0013057300000000, 0.0001153800000000 ] - [ 0.0019896300000000, 0.0012611500000000, -0.0005123600000000 ] - [ -0.0017131800000000, 0.0010683000000000, 0.0000915000000000 ] - [ 0.0001366700000000, 0.0008813400000000, -0.0003434300000000 ] - [ 0.0016546200000000, 0.0020970000000000, 0.0004573000000000 ] - [ -0.0017361600000000, 0.0011970400000000, 0.0003927100000000 ] - [ 0.0112210000000000, -0.0083345400000000, 0.0001562900000000 ] - [ -0.0059317100000000, 0.0067844700000000, -0.0060071300000000 ] - [ -0.0051580000000000, -0.0008024000000000, 0.0018029300000000 ] - [ 0.0080425000000000, 0.0017138100000000, 0.0011550000000000 ] - [ -0.0084447800000000, 0.0012912000000000, 0.0110191000000000 ] - [ -0.0043844400000000, -0.0019947900000000, -0.0007446800000000 ] - [ -0.0117685200000000, -0.0091420900000000, -0.0044579600000000 ] - [ 0.0705940800000000, -0.0504703500000000, -0.0383140000000000 ] - [ -0.0076588700000000, -0.0000268800000000, -0.0007453200000000 ] - [ -0.0009215900000000, -0.0016965500000000, 0.0022693300000000 ] - [ 0.0059563500000000, -0.0007837900000000, 0.0024671600000000 ] - [ -0.0046066900000000, -0.0007732100000000, -0.0002111900000000 ] - [ 0.0027940400000000, 0.0045708300000000, -0.0020062600000000 ] - [ -0.0008161600000000, 0.0015892000000000, -0.0010076100000000 ] - [ -0.0036304200000000, 0.0020582500000000, -0.0010618100000000 ] - [ 0.0030738000000000, 0.0025810800000000, 0.0012086900000000 ] - [ 0.0000873300000000, 0.0014758600000000, 0.0001991700000000 ] - [ -0.0035382600000000, 0.0013378100000000, 0.0019671700000000 ] - [ -0.0091628900000000, 0.0110047900000000, 0.0064243500000000 ] - [ 0.0119011900000000, -0.0017535600000000, -0.0015673600000000 ] - [ -0.0033984700000000, -0.0011518500000000, -0.0004147000000000 ] - [ -0.0011744700000000, 0.0013154900000000, -0.0018033100000000 ] - [ 0.0051706200000000, -0.0018416200000000, 0.0007388500000000 ] - [ -0.0032513300000000, -0.0017949800000000, 0.0006863100000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1812612300000000, -0.0791410300000000, -0.0638535100000000 ] - [ -0.0027062900000000, 0.0021045000000000, 0.0012214100000000 ] - [ -0.0027055900000000, 0.0024325700000000, 0.0013947500000000 ] - [ 0.0017935200000000, 0.0001779800000000, 0.0012654600000000 ] - [ -0.0005603900000000, 0.0015924200000000, 0.0015291200000000 ] - [ -0.0005538500000000, 0.0017612800000000, 0.0011840800000000 ] - [ 0.0009366500000000, -0.0020443200000000, -0.0008560600000000 ] - [ 0.0009292100000000, 0.0002354000000000, -0.0020656600000000 ] - [ -0.0015984600000000, -0.0022799000000000, -0.0014699900000000 ] - [ 0.0015273200000000, -0.0008253300000000, -0.0003199400000000 ] - [ 0.0015211400000000, 0.0001262100000000, 0.0005994800000000 ] - [ -0.0013930800000000, -0.0022299100000000, -0.0013750000000000 ] - [ 0.0021469100000000, -0.0029255100000000, 0.0018947100000000 ] - [ -0.0026521000000000, 0.0002784600000000, -0.0001584900000000 ] - [ -0.0006571400000000, -0.0013279300000000, 0.0010200300000000 ] - [ 0.0021440900000000, -0.0011826500000000, 0.0021474700000000 ] - [ -0.0026521500000000, 0.0002894800000000, 0.0008914500000000 ] - [ -0.0006568900000000, -0.0015857600000000, 0.0005339800000000 ] - [ -0.0175119100000000, -0.0049248300000000, -0.0143902200000000 ] - [ -0.0138777000000000, -0.0060124700000000, 0.0086989900000000 ] - [ -0.0025663400000000, 0.0003962700000000, -0.0004630500000000 ] - [ -0.0009334300000000, 0.0004338600000000, 0.0019016900000000 ] - [ 0.0006178800000000, 0.0011934700000000, -0.0023300600000000 ] - [ -0.0019570700000000, 0.0005791700000000, -0.0003486100000000 ] - [ -0.0305594600000000, 0.0235292800000000, 0.0132944300000000 ] - [ -0.0034641800000000, -0.0114141400000000, -0.0067352500000000 ] - [ -0.0018684600000000, -0.0012863200000000, -0.0007297600000000 ] - [ 0.0004208100000000, -0.0015011900000000, -0.0016506900000000 ] - [ 0.0008406900000000, -0.0036002900000000, -0.0002940800000000 ] - [ -0.0012444300000000, -0.0014345000000000, -0.0006704800000000 ] - [ 0.0017667700000000, 0.0038612800000000, 0.0013321700000000 ] - [ -0.0008371000000000, 0.0020619100000000, 0.0006985100000000 ] - [ -0.0007396000000000, 0.0016446900000000, 0.0006118900000000 ] - [ 0.0013424700000000, 0.0030115500000000, 0.0018686600000000 ] - [ -0.0004134800000000, 0.0022802500000000, 0.0011965000000000 ] - [ -0.0001836800000000, 0.0020299900000000, 0.0012376600000000 ] - [ 0.0000687500000000, 0.0023431900000000, -0.0014357700000000 ] - [ 0.0000620500000000, 0.0040808400000000, -0.0013353900000000 ] - [ -0.0014449600000000, 0.0028225800000000, -0.0016562300000000 ] - [ 0.0005482700000000, 0.0019906200000000, -0.0005591400000000 ] - [ 0.0005454100000000, 0.0022980100000000, -0.0009816100000000 ] - [ -0.0012697700000000, 0.0027160500000000, -0.0013514500000000 ] - [ 0.0050907800000000, 0.0022762100000000, 0.0031953700000000 ] - [ -0.0010128800000000, -0.0028262200000000, 0.0009763600000000 ] - [ -0.0025309400000000, -0.0032611500000000, 0.0027450200000000 ] - [ 0.0050711900000000, -0.0012684700000000, -0.0017848000000000 ] - [ -0.0025269500000000, -0.0041083700000000, 0.0022699100000000 ] - [ -0.0010022800000000, -0.0013217800000000, 0.0004428000000000 ] - [ 0.0013031500000000, 0.0003165200000000, -0.0011606800000000 ] - [ -0.0005426500000000, 0.0010015600000000, -0.0005635900000000 ] - [ -0.0029089600000000, 0.0045429300000000, 0.0019006000000000 ] - [ 0.0015045000000000, 0.0005973700000000, -0.0018359700000000 ] - [ -0.0007508900000000, 0.0009378900000000, -0.0003297500000000 ] - [ -0.0005753900000000, 0.0011427700000000, -0.0006206200000000 ] - [ -0.0002308100000000, 0.0018531900000000, -0.0009552200000000 ] - [ 0.0007180900000000, -0.0024681400000000, 0.0015261200000000 ] - [ -0.0014723900000000, -0.0009368200000000, -0.0001920900000000 ] - [ 0.0018406200000000, 0.0010421200000000, 0.0033538900000000 ] - [ 0.0009326800000000, -0.0006483200000000, 0.0009952900000000 ] - [ -0.0014049600000000, -0.0007642200000000, 0.0002057000000000 ] - [ 0.0038314900000000, 0.0039312400000000, 0.0008647300000000 ] - [ -0.0010912700000000, -0.0008433600000000, -0.0014074300000000 ] - [ -0.0027634900000000, 0.0011516700000000, -0.0027356700000000 ] - [ 0.0013832300000000, -0.0006335700000000, 0.0004423700000000 ] - [ -0.0002960400000000, -0.0006585300000000, -0.0007671900000000 ] - [ -0.0007914000000000, -0.0000692400000000, -0.0009291500000000 ] - [ 0.0010361000000000, 0.0026193300000000, -0.0003199100000000 ] - [ 0.0013591300000000, 0.0013028600000000, 0.0000404500000000 ] - [ -0.0012788500000000, 0.0003604400000000, 0.0012874100000000 ] - [ 0.0003840000000000, 0.0012891400000000, 0.0004541700000000 ] - [ 0.0006915400000000, 0.0012158900000000, 0.0005599000000000 ] - [ -0.0012946600000000, 0.0000444400000000, 0.0017212900000000 ] - [ 0.0026038500000000, -0.0027010700000000, -0.0019916300000000 ] - [ -0.0140657700000000, 0.0206152900000000, 0.0138690800000000 ] - [ -0.0023795200000000, 0.0001346400000000, 0.0018475200000000 ] - [ 0.0006771200000000, -0.0016068200000000, 0.0011694200000000 ] - [ 0.0016206100000000, -0.0003198200000000, -0.0008320500000000 ] - [ -0.0019416700000000, -0.0000492000000000, 0.0019953600000000 ] - [ 0.0047609800000000, -0.0010699500000000, 0.0023109500000000 ] - [ -0.0022758600000000, -0.0000568100000000, -0.0028303000000000 ] - [ -0.0010701300000000, -0.0003086800000000, -0.0004374500000000 ] - [ 0.0111520200000000, 0.0013190800000000, 0.0065653700000000 ] - [ -0.0035428900000000, 0.0006388000000000, -0.0013139600000000 ] - [ -0.0038535100000000, -0.0014744000000000, -0.0040632100000000 ] - [ -0.0153740100000000, -0.0181774500000000, 0.0048536100000000 ] - [ -0.0136726100000000, 0.0078955200000000, -0.0095950000000000 ] - [ -0.0024543200000000, 0.0008771300000000, -0.0006043300000000 ] - [ 0.0020775700000000, -0.0008901900000000, 0.0015908200000000 ] - [ 0.0013428600000000, -0.0001618000000000, 0.0040595700000000 ] - [ -0.0018477400000000, 0.0008425800000000, -0.0003215300000000 ] - [ 0.0084215600000000, 0.0053608300000000, -0.0069755100000000 ] - [ -0.0029522500000000, -0.0002643600000000, 0.0000116100000000 ] - [ -0.0033470800000000, -0.0037126100000000, 0.0007178300000000 ] - [ 0.0012840400000000, -0.0000482100000000, -0.0005304100000000 ] - [ -0.0028901100000000, -0.0012394100000000, 0.0019600000000000 ] - [ -0.0005277500000000, -0.0012460600000000, -0.0003121200000000 ] - [ -0.0227718700000000, 0.0029186200000000, 0.0090543700000000 ] - [ 0.0038930600000000, 0.0037170900000000, 0.0032227400000000 ] - [ 0.0033661500000000, 0.0012633900000000, -0.0007405400000000 ] - [ -0.0055338700000000, 0.0033800200000000, 0.0031170000000000 ] - [ 0.0036219000000000, 0.0018386400000000, -0.0060542200000000 ] - [ 0.0026142900000000, -0.0000897600000000, 0.0003397100000000 ] - [ -0.0001565300000000, 0.0005576400000000, 0.0006405100000000 ] - [ -0.0038830400000000, -0.0055871400000000, 0.0017722000000000 ] - [ 0.0025733300000000, -0.0012489400000000, 0.0004323200000000 ] - [ -0.0001062200000000, -0.0001682400000000, -0.0006230700000000 ] - [ -0.0020494200000000, -0.0013289900000000, -0.0010335000000000 ] - [ 0.0019346400000000, -0.0011352200000000, 0.0002884400000000 ] - [ -0.0164453100000000, 0.0002793900000000, 0.0037583800000000 ] - [ 0.0048419100000000, 0.0051878800000000, 0.0015764900000000 ] - [ 0.0032239800000000, -0.0002028600000000, 0.0009126000000000 ] - [ -0.0016761200000000, 0.0004421400000000, -0.0017410600000000 ] - [ 0.0002608600000000, 0.0006869600000000, -0.0000810800000000 ] - [ 0.0021318500000000, 0.0001570000000000, -0.0010775700000000 ] - [ 0.0000750900000000, -0.0009594100000000, -0.0001153800000000 ] - [ -0.0019748600000000, -0.0009039200000000, 0.0005132000000000 ] - [ 0.0017076100000000, -0.0007155200000000, -0.0000899800000000 ] - [ -0.0001447700000000, -0.0005340600000000, 0.0003422700000000 ] - [ -0.0016401100000000, -0.0017386500000000, -0.0004561100000000 ] - [ 0.0017290400000000, -0.0008440400000000, -0.0003903200000000 ] - [ -0.0112773800000000, 0.0073488300000000, -0.0001876000000000 ] - [ 0.0059049000000000, -0.0076917200000000, 0.0059603000000000 ] - [ 0.0051516900000000, -0.0001485300000000, -0.0018087400000000 ] - [ -0.0080646400000000, -0.0026820300000000, -0.0011507300000000 ] - [ 0.0084102600000000, -0.0022389000000000, -0.0109484100000000 ] - [ 0.0043772000000000, 0.0010483500000000, 0.0007496500000000 ] - [ 0.0117132600000000, 0.0100993100000000, 0.0044360000000000 ] - [ -0.0689727500000000, 0.0486962800000000, 0.0364691700000000 ] - [ 0.0076354000000000, 0.0009745800000000, 0.0007390600000000 ] - [ 0.0009029600000000, 0.0026534600000000, -0.0022672600000000 ] - [ -0.0058811600000000, 0.0017207900000000, -0.0024092300000000 ] - [ 0.0045978400000000, 0.0017183400000000, 0.0002085300000000 ] - [ -0.0028306300000000, -0.0035843900000000, 0.0019998000000000 ] - [ 0.0008363100000000, -0.0006053700000000, 0.0010008900000000 ] - [ 0.0036272300000000, -0.0011024400000000, 0.0010633600000000 ] - [ -0.0030975500000000, -0.0016117000000000, -0.0012092100000000 ] - [ -0.0000656800000000, -0.0004954900000000, -0.0002007400000000 ] - [ 0.0035379000000000, -0.0003775900000000, -0.0019722800000000 ] - [ 0.0091522600000000, -0.0119921700000000, -0.0064289600000000 ] - [ -0.0118506200000000, 0.0008901900000000, 0.0016147500000000 ] - [ 0.0034112500000000, 0.0001935000000000, 0.0004132500000000 ] - [ 0.0011525200000000, -0.0022801300000000, 0.0018018500000000 ] - [ -0.0050955900000000, 0.0009359300000000, -0.0007742600000000 ] - [ 0.0032506700000000, 0.0008292500000000, -0.0006815400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0811497800000000, -0.1643190500000000, -0.0317218000000000 ] - [ -0.0005564700000000, 0.0003516400000000, 0.0005777600000000 ] - [ -0.0001984000000000, 0.0003270000000000, 0.0006732400000000 ] - [ 0.0016941700000000, -0.0017875900000000, 0.0009971300000000 ] - [ 0.0001082600000000, 0.0008714700000000, 0.0012134400000000 ] - [ 0.0003089100000000, 0.0008470900000000, 0.0009553800000000 ] - [ 0.0021108100000000, 0.0006727400000000, -0.0003803800000000 ] - [ -0.0001436600000000, 0.0006899200000000, -0.0022117300000000 ] - [ -0.0004079000000000, -0.0012892100000000, -0.0011289900000000 ] - [ 0.0020001400000000, 0.0003300400000000, -0.0000833900000000 ] - [ 0.0010674800000000, 0.0003517800000000, 0.0002754400000000 ] - [ -0.0003576500000000, -0.0013991100000000, -0.0009811600000000 ] - [ -0.0006915000000000, 0.0004542200000000, 0.0000617800000000 ] - [ -0.0021667600000000, 0.0003086700000000, 0.0000095300000000 ] - [ -0.0003083600000000, -0.0008518100000000, 0.0008198700000000 ] - [ 0.0010524700000000, 0.0004508500000000, 0.0021337600000000 ] - [ -0.0021545300000000, 0.0003079300000000, 0.0008191700000000 ] - [ -0.0005676000000000, -0.0008501200000000, 0.0007398900000000 ] - [ -0.0067208900000000, -0.0055584400000000, -0.0044291900000000 ] - [ -0.0079143200000000, -0.0126790300000000, 0.0029348300000000 ] - [ -0.0014711100000000, 0.0004802300000000, -0.0006268000000000 ] - [ -0.0014352300000000, -0.0010573600000000, 0.0005453000000000 ] - [ -0.0007045800000000, -0.0010602300000000, -0.0009128900000000 ] - [ -0.0012888200000000, 0.0004802200000000, -0.0005106300000000 ] - [ -0.0252921200000000, 0.0114214700000000, 0.0095600800000000 ] - [ 0.0095945900000000, -0.0024962200000000, -0.0001559100000000 ] - [ -0.0005763800000000, -0.0022488600000000, -0.0011620200000000 ] - [ -0.0003707100000000, -0.0024066200000000, -0.0013998500000000 ] - [ 0.0017169800000000, -0.0044226900000000, -0.0010656200000000 ] - [ -0.0004301500000000, -0.0021298400000000, -0.0009322200000000 ] - [ 0.0019956400000000, 0.0066845200000000, 0.0015765400000000 ] - [ 0.0001957800000000, 0.0030315800000000, 0.0010926000000000 ] - [ -0.0002474000000000, 0.0026246100000000, 0.0009787200000000 ] - [ 0.0011447800000000, 0.0040590700000000, 0.0016852300000000 ] - [ 0.0004124000000000, 0.0030139200000000, 0.0014902500000000 ] - [ 0.0001372100000000, 0.0026384500000000, 0.0013083700000000 ] - [ -0.0022269100000000, 0.0049940700000000, -0.0023570600000000 ] - [ -0.0004548100000000, 0.0049611400000000, -0.0015409100000000 ] - [ -0.0009550700000000, 0.0029288700000000, -0.0015183800000000 ] - [ -0.0004315800000000, 0.0034728600000000, -0.0011363000000000 ] - [ -0.0000994300000000, 0.0034502700000000, -0.0011660100000000 ] - [ -0.0008491300000000, 0.0028891500000000, -0.0013274700000000 ] - [ 0.0006332000000000, 0.0035554400000000, 0.0143578500000000 ] - [ 0.0005440200000000, -0.0025522900000000, 0.0014168300000000 ] - [ -0.0022198000000000, -0.0036708500000000, 0.0024265800000000 ] - [ 0.0041628900000000, 0.0035654700000000, -0.0150142800000000 ] - [ -0.0013841900000000, -0.0036895100000000, 0.0017722500000000 ] - [ -0.0009302200000000, -0.0025336500000000, 0.0009996900000000 ] - [ -0.0004090600000000, 0.0031172900000000, 0.0010156400000000 ] - [ 0.0002361600000000, 0.0011154900000000, -0.0008379100000000 ] - [ -0.0025389600000000, 0.0037137600000000, 0.0013953400000000 ] - [ 0.0010340500000000, 0.0020461100000000, -0.0020629600000000 ] - [ 0.0002350000000000, 0.0009325200000000, -0.0010274300000000 ] - [ -0.0007731600000000, 0.0012178000000000, -0.0005749800000000 ] - [ -0.0025059500000000, 0.0010716700000000, -0.0021529500000000 ] - [ 0.0018410200000000, -0.0010883000000000, 0.0012775500000000 ] - [ -0.0007491400000000, -0.0008236900000000, 0.0002317500000000 ] - [ 0.0001586100000000, 0.0007371500000000, 0.0024148500000000 ] - [ 0.0027258000000000, 0.0006206600000000, 0.0034749500000000 ] - [ -0.0005622500000000, -0.0005803900000000, 0.0007114400000000 ] - [ -0.0005383400000000, 0.0258041000000000, 0.0007606100000000 ] - [ 0.0006154400000000, -0.0002370600000000, -0.0010100000000000 ] - [ -0.0022900100000000, 0.0004702400000000, -0.0024367500000000 ] - [ 0.0000289300000000, 0.0006105000000000, -0.0006043400000000 ] - [ 0.0005238500000000, -0.0006862300000000, -0.0002804800000000 ] - [ -0.0008238300000000, -0.0002481200000000, -0.0010888800000000 ] - [ -0.0008451200000000, 0.0025961200000000, 0.0009945800000000 ] - [ 0.0026424700000000, 0.0034716100000000, -0.0006270900000000 ] - [ -0.0004395200000000, 0.0008531900000000, 0.0008950900000000 ] - [ -0.0003593900000000, 0.0012995800000000, 0.0008527100000000 ] - [ 0.0012540200000000, 0.0025104800000000, -0.0001636500000000 ] - [ -0.0006501000000000, 0.0004304800000000, 0.0013163200000000 ] - [ 0.0022303200000000, -0.0008186900000000, -0.0002850500000000 ] - [ -0.0100579500000000, 0.0183788200000000, 0.0099258200000000 ] - [ -0.0011096700000000, -0.0001652900000000, 0.0013048000000000 ] - [ 0.0021766400000000, -0.0011984300000000, -0.0013320500000000 ] - [ 0.0004398100000000, -0.0001357400000000, -0.0004704800000000 ] - [ -0.0007928300000000, -0.0003204800000000, 0.0011375100000000 ] - [ 0.0005043600000000, 0.0014667000000000, -0.0078946400000000 ] - [ -0.0018419400000000, -0.0003236100000000, -0.0024172100000000 ] - [ -0.0000170100000000, -0.0001382300000000, -0.0007306700000000 ] - [ 0.0079465700000000, 0.0038385800000000, 0.0141472800000000 ] - [ -0.0026423100000000, 0.0000255000000000, -0.0012582100000000 ] - [ -0.0006446200000000, -0.0002413100000000, -0.0011185400000000 ] - [ 0.0100689200000000, 0.0018390700000000, -0.0001736900000000 ] - [ -0.0118810600000000, 0.0041694300000000, -0.0088664300000000 ] - [ -0.0010923200000000, 0.0004412500000000, 0.0000399500000000 ] - [ 0.0019759000000000, -0.0008717600000000, 0.0020789500000000 ] - [ 0.0001407700000000, -0.0003723400000000, 0.0025291700000000 ] - [ -0.0008206700000000, 0.0005401700000000, 0.0003343600000000 ] - [ 0.0041855500000000, 0.0143974900000000, -0.0059305700000000 ] - [ -0.0024007400000000, -0.0002837600000000, -0.0000225900000000 ] - [ 0.0000035800000000, -0.0010644000000000, -0.0003993400000000 ] - [ 0.0001316500000000, 0.0003006400000000, -0.0000513800000000 ] - [ -0.0020531200000000, -0.0010099900000000, 0.0011748900000000 ] - [ 0.0001374100000000, -0.0008061000000000, -0.0007194800000000 ] - [ 0.0075424400000000, 0.0178564300000000, -0.0151127300000000 ] - [ 0.0007962300000000, 0.0070823000000000, 0.0007312100000000 ] - [ 0.0014690000000000, 0.0020293500000000, 0.0000853000000000 ] - [ -0.0019254600000000, 0.0074174600000000, 0.0012580900000000 ] - [ 0.0021442600000000, 0.0026633600000000, -0.0041922600000000 ] - [ 0.0010843800000000, 0.0011595000000000, 0.0000503100000000 ] - [ -0.0005384600000000, -0.0021095600000000, -0.0006296300000000 ] - [ -0.0011317300000000, -0.0081277400000000, 0.0004798200000000 ] - [ 0.0014764600000000, -0.0018278900000000, 0.0002890800000000 ] - [ -0.0006286300000000, -0.0017505600000000, -0.0003171200000000 ] - [ -0.0004064300000000, -0.0026479100000000, -0.0000343100000000 ] - [ 0.0010596200000000, -0.0016220600000000, 0.0003092100000000 ] - [ -0.0019190400000000, 0.0161220200000000, 0.0020174500000000 ] - [ 0.0000548000000000, 0.0047407100000000, 0.0044116100000000 ] - [ 0.0016297900000000, 0.0011245400000000, 0.0004888800000000 ] - [ 0.0015624700000000, 0.0022966200000000, -0.0030722300000000 ] - [ -0.0007483600000000, 0.0019519800000000, -0.0003786000000000 ] - [ 0.0012273500000000, 0.0009161700000000, -0.0009241500000000 ] - [ -0.0000543200000000, -0.0027182900000000, 0.0001702200000000 ] - [ -0.0009795000000000, -0.0039317000000000, -0.0003160800000000 ] - [ 0.0007526900000000, -0.0014754000000000, -0.0001492200000000 ] - [ 0.0001609200000000, -0.0015894600000000, 0.0008038500000000 ] - [ -0.0009131900000000, -0.0034263600000000, -0.0003589900000000 ] - [ 0.0008102400000000, -0.0014272700000000, -0.0003316400000000 ] - [ -0.0078018800000000, -0.0036756100000000, 0.0070983300000000 ] - [ 0.0059083300000000, -0.0067239900000000, 0.0046841100000000 ] - [ 0.0012280300000000, -0.0011209800000000, -0.0000175700000000 ] - [ -0.0076021000000000, -0.0064418900000000, -0.0036614200000000 ] - [ 0.0075864900000000, -0.0024474900000000, -0.0087348500000000 ] - [ 0.0014713500000000, -0.0008577300000000, 0.0000419900000000 ] - [ 0.0004545400000000, 0.0081619500000000, -0.0031844100000000 ] - [ -0.0559253700000000, 0.0717728000000000, 0.0405642400000000 ] - [ 0.0042725400000000, 0.0021935200000000, 0.0007051100000000 ] - [ -0.0008976800000000, 0.0040051000000000, -0.0007929200000000 ] - [ -0.0002033200000000, 0.0052896600000000, 0.0009854400000000 ] - [ 0.0026074100000000, 0.0023269300000000, 0.0002215600000000 ] - [ 0.0043031000000000, -0.0109154400000000, 0.0043251600000000 ] - [ -0.0016842500000000, -0.0031274600000000, 0.0020012600000000 ] - [ 0.0023293000000000, -0.0015470000000000, 0.0007331800000000 ] - [ 0.0002798000000000, -0.0041588900000000, -0.0017940800000000 ] - [ -0.0020065200000000, -0.0027150100000000, -0.0004013800000000 ] - [ 0.0022808900000000, -0.0010783600000000, -0.0015715600000000 ] - [ 0.0092369700000000, -0.0077839700000000, -0.0048224400000000 ] - [ -0.0131219300000000, -0.0108929900000000, -0.0098552900000000 ] - [ 0.0001883900000000, 0.0000603500000000, 0.0000578800000000 ] - [ 0.0026805100000000, -0.0004777300000000, 0.0019388200000000 ] - [ -0.0079908600000000, -0.0033712600000000, 0.0035664200000000 ] - [ 0.0010091500000000, 0.0010045800000000, -0.0004999400000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0825009800000000, 0.1680767900000000, 0.0370484900000000 ] - [ 0.0008246100000000, 0.0031722400000000, 0.0014751000000000 ] - [ 0.0004742400000000, 0.0031482000000000, 0.0014008400000000 ] - [ -0.0014579900000000, 0.0052854100000000, 0.0010571300000000 ] - [ 0.0001516400000000, 0.0026546600000000, 0.0008378500000000 ] - [ -0.0000399000000000, 0.0026305100000000, 0.0011208500000000 ] - [ -0.0018570600000000, -0.0041905700000000, -0.0016684800000000 ] - [ 0.0004164500000000, -0.0041735900000000, 0.0001435800000000 ] - [ 0.0006486900000000, -0.0022083600000000, -0.0009312900000000 ] - [ -0.0017474800000000, -0.0038577600000000, -0.0019749800000000 ] - [ -0.0008076400000000, -0.0038364600000000, -0.0023569100000000 ] - [ 0.0006017100000000, -0.0020965600000000, -0.0010780000000000 ] - [ 0.0004457700000000, -0.0039450400000000, 0.0020025200000000 ] - [ 0.0019074600000000, -0.0037928700000000, 0.0020695400000000 ] - [ 0.0000514600000000, -0.0026733800000000, 0.0012327700000000 ] - [ -0.0012954500000000, -0.0039483100000000, -0.0000843800000000 ] - [ 0.0018975500000000, -0.0037938400000000, 0.0012584700000000 ] - [ 0.0003067300000000, -0.0026719600000000, 0.0013111100000000 ] - [ 0.0065876000000000, 0.0090625200000000, 0.0024346100000000 ] - [ 0.0077076200000000, 0.0163645400000000, -0.0049859100000000 ] - [ 0.0012427000000000, 0.0030238300000000, -0.0014359900000000 ] - [ 0.0011856800000000, 0.0045431500000000, -0.0026413600000000 ] - [ 0.0004382400000000, 0.0045857800000000, -0.0011385300000000 ] - [ 0.0010573600000000, 0.0030229200000000, -0.0015520300000000 ] - [ 0.0249318900000000, -0.0149669600000000, -0.0116158800000000 ] - [ -0.0097836200000000, -0.0010683500000000, -0.0018843200000000 ] - [ 0.0003449300000000, -0.0012549700000000, -0.0009008700000000 ] - [ 0.0001078700000000, -0.0010821100000000, -0.0006738900000000 ] - [ -0.0019746800000000, 0.0008975300000000, -0.0009966200000000 ] - [ 0.0001979000000000, -0.0013736700000000, -0.0011312200000000 ] - [ -0.0022347100000000, -0.0031841000000000, 0.0004850100000000 ] - [ -0.0004542800000000, 0.0004538000000000, 0.0009870700000000 ] - [ -0.0000099500000000, 0.0009050800000000, 0.0010762500000000 ] - [ -0.0013833400000000, -0.0005586900000000, 0.0003738100000000 ] - [ -0.0006733700000000, 0.0004702300000000, 0.0005885600000000 ] - [ -0.0003976800000000, 0.0008876700000000, 0.0007430500000000 ] - [ 0.0024629000000000, -0.0014449200000000, 0.0002960200000000 ] - [ 0.0007183100000000, -0.0014781400000000, -0.0005382800000000 ] - [ 0.0011943600000000, 0.0005713300000000, -0.0005418300000000 ] - [ 0.0006893600000000, 0.0000541200000000, -0.0009142500000000 ] - [ 0.0003634800000000, 0.0000313700000000, -0.0009101200000000 ] - [ 0.0010862500000000, 0.0006125400000000, -0.0007336100000000 ] - [ -0.0004314500000000, -0.0071148900000000, -0.0121996800000000 ] - [ -0.0002855300000000, -0.0009744200000000, 0.0006372500000000 ] - [ 0.0024849300000000, 0.0001873400000000, -0.0003515600000000 ] - [ -0.0039435800000000, -0.0071049500000000, 0.0170320800000000 ] - [ 0.0016544800000000, 0.0001692200000000, 0.0002741000000000 ] - [ 0.0011953800000000, -0.0009561100000000, 0.0010802800000000 ] - [ 0.0003506700000000, -0.0020340500000000, -0.0024663900000000 ] - [ -0.0002695800000000, -0.0000342200000000, -0.0006371600000000 ] - [ 0.0025359300000000, -0.0026372100000000, -0.0028654400000000 ] - [ -0.0010859300000000, -0.0009602000000000, 0.0005899100000000 ] - [ -0.0002680800000000, 0.0001492300000000, -0.0004483000000000 ] - [ 0.0007659400000000, -0.0001359000000000, -0.0008921700000000 ] - [ 0.0024499100000000, -0.0021655600000000, 0.0036101000000000 ] - [ -0.0018473200000000, 0.0000143900000000, 0.0001863800000000 ] - [ 0.0006971000000000, -0.0002617200000000, 0.0012342200000000 ] - [ -0.0001968000000000, -0.0018284700000000, -0.0009468500000000 ] - [ -0.0027315000000000, -0.0017051200000000, -0.0020071700000000 ] - [ 0.0005093100000000, -0.0005043400000000, 0.0007523800000000 ] - [ 0.0005722800000000, -0.0264082300000000, -0.0022113000000000 ] - [ -0.0006059200000000, -0.0008501500000000, -0.0004531500000000 ] - [ 0.0023309900000000, -0.0015592700000000, 0.0009663800000000 ] - [ 0.0000208500000000, -0.0016966000000000, -0.0008642200000000 ] - [ -0.0005159600000000, -0.0003991200000000, -0.0011859700000000 ] - [ 0.0008606900000000, -0.0008367100000000, -0.0003855700000000 ] - [ 0.0008339100000000, -0.0015186500000000, 0.0004874200000000 ] - [ -0.0026017000000000, -0.0023930900000000, 0.0021059200000000 ] - [ 0.0004987800000000, 0.0002329100000000, 0.0005678700000000 ] - [ 0.0003619600000000, -0.0002184000000000, 0.0006141000000000 ] - [ -0.0012188100000000, -0.0014286600000000, 0.0016361300000000 ] - [ 0.0007103500000000, 0.0006568500000000, 0.0001448600000000 ] - [ -0.0022399700000000, -0.0002485700000000, 0.0017685600000000 ] - [ 0.0101224800000000, -0.0195763200000000, -0.0084759200000000 ] - [ 0.0011729500000000, -0.0009204900000000, 0.0001543600000000 ] - [ -0.0021725400000000, 0.0001256000000000, 0.0028002400000000 ] - [ -0.0004149600000000, -0.0009430500000000, 0.0019533700000000 ] - [ 0.0008549700000000, -0.0007670400000000, 0.0003216800000000 ] - [ -0.0004651100000000, -0.0003180900000000, 0.0063983800000000 ] - [ 0.0018551900000000, 0.0014116400000000, 0.0009587600000000 ] - [ 0.0000575600000000, 0.0012240000000000, -0.0007444900000000 ] - [ -0.0079598400000000, -0.0027670500000000, -0.0157207200000000 ] - [ 0.0026575400000000, 0.0010574900000000, -0.0002058000000000 ] - [ 0.0007000800000000, 0.0013350300000000, -0.0003377200000000 ] - [ -0.0101328200000000, -0.0007054800000000, 0.0016579700000000 ] - [ 0.0119355800000000, -0.0030687600000000, 0.0104075100000000 ] - [ 0.0010438600000000, 0.0006420400000000, 0.0014285100000000 ] - [ -0.0020214900000000, 0.0019634900000000, -0.0006093700000000 ] - [ -0.0001567300000000, 0.0014613300000000, -0.0010785000000000 ] - [ 0.0007703400000000, 0.0005446600000000, 0.0011331500000000 ] - [ -0.0042611100000000, -0.0157669100000000, 0.0045080100000000 ] - [ 0.0023728900000000, -0.0007989100000000, -0.0014556800000000 ] - [ 0.0000041100000000, -0.0000035400000000, -0.0010747400000000 ] - [ -0.0001871500000000, -0.0013803600000000, -0.0014308300000000 ] - [ 0.0020217100000000, -0.0000725500000000, -0.0026537000000000 ] - [ -0.0001414900000000, -0.0002743100000000, -0.0007496700000000 ] - [ -0.0075195200000000, -0.0173721400000000, 0.0150197500000000 ] - [ -0.0007839700000000, -0.0067481900000000, -0.0007387500000000 ] - [ -0.0014757300000000, -0.0016847800000000, -0.0000803100000000 ] - [ 0.0019459100000000, -0.0070869900000000, -0.0012848900000000 ] - [ -0.0021615600000000, -0.0023151000000000, 0.0042188900000000 ] - [ -0.0010902500000000, -0.0008113000000000, -0.0000528300000000 ] - [ 0.0005445800000000, 0.0017526300000000, 0.0006233900000000 ] - [ 0.0011191300000000, 0.0077982400000000, -0.0004602600000000 ] - [ -0.0014887500000000, 0.0014835900000000, -0.0002906700000000 ] - [ 0.0006294400000000, 0.0014023300000000, 0.0003201600000000 ] - [ 0.0004157600000000, 0.0023019900000000, 0.0000375600000000 ] - [ -0.0010698200000000, 0.0012782700000000, -0.0003116000000000 ] - [ 0.0005603300000000, -0.0148596500000000, -0.0031069200000000 ] - [ -0.0000750900000000, -0.0051021500000000, -0.0044324500000000 ] - [ -0.0016363700000000, -0.0014622000000000, -0.0004931100000000 ] - [ -0.0015644300000000, -0.0026336300000000, 0.0030833800000000 ] - [ 0.0007496300000000, -0.0022925100000000, 0.0003825700000000 ] - [ -0.0012286800000000, -0.0012579900000000, 0.0009247000000000 ] - [ 0.0000577400000000, 0.0030596000000000, -0.0001727800000000 ] - [ 0.0009831400000000, 0.0042758600000000, 0.0003040200000000 ] - [ -0.0007630000000000, 0.0018191300000000, 0.0001480300000000 ] - [ -0.0001554500000000, 0.0019339400000000, -0.0007981600000000 ] - [ 0.0009179800000000, 0.0037689300000000, 0.0003652900000000 ] - [ -0.0008203600000000, 0.0017704300000000, 0.0003325200000000 ] - [ 0.0078635900000000, 0.0026098600000000, -0.0071499200000000 ] - [ -0.0059276300000000, 0.0057793100000000, -0.0047057800000000 ] - [ -0.0012458300000000, 0.0001605500000000, 0.0000249200000000 ] - [ 0.0076363400000000, 0.0055003200000000, 0.0036808200000000 ] - [ -0.0076013800000000, 0.0014929900000000, 0.0087565400000000 ] - [ -0.0014848200000000, -0.0001103400000000, -0.0000466200000000 ] - [ -0.0005427100000000, -0.0072649000000000, 0.0031704400000000 ] - [ 0.0588486900000000, -0.0729004700000000, -0.0426998000000000 ] - [ -0.0042965600000000, -0.0012362500000000, -0.0007060900000000 ] - [ 0.0008864300000000, -0.0030533000000000, 0.0008060800000000 ] - [ 0.0002524500000000, -0.0043418600000000, -0.0009259300000000 ] - [ -0.0026212100000000, -0.0013708400000000, -0.0002246600000000 ] - [ -0.0042387600000000, 0.0118257400000000, -0.0042979500000000 ] - [ 0.0016727000000000, 0.0040878800000000, -0.0020034000000000 ] - [ -0.0023347200000000, 0.0025064200000000, -0.0007372100000000 ] - [ -0.0002706800000000, 0.0051205600000000, 0.0017949700000000 ] - [ 0.0020034500000000, 0.0036794000000000, 0.0004028400000000 ] - [ -0.0022868000000000, 0.0020350500000000, 0.0015764600000000 ] - [ -0.0092521900000000, 0.0068696400000000, 0.0048380900000000 ] - [ 0.0130602800000000, 0.0099191500000000, 0.0097398900000000 ] - [ -0.0001984500000000, -0.0010150100000000, -0.0000608700000000 ] - [ -0.0026754000000000, -0.0004658100000000, -0.0019347500000000 ] - [ 0.0080138800000000, 0.0024245200000000, -0.0035498600000000 ] - [ -0.0010233400000000, -0.0019623100000000, 0.0005025300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0664501600000000, -0.0323078300000000, -0.1594954100000000 ] - [ -0.0002247200000000, 0.0014000500000000, 0.0001852100000000 ] - [ -0.0000594700000000, 0.0012948000000000, 0.0001993700000000 ] - [ -0.0001182400000000, 0.0017229400000000, 0.0043849000000000 ] - [ -0.0000141700000000, 0.0016797500000000, 0.0016331900000000 ] - [ -0.0003717400000000, 0.0019296600000000, 0.0016448900000000 ] - [ -0.0009027100000000, -0.0029448300000000, -0.0018356800000000 ] - [ 0.0002990900000000, -0.0010993500000000, -0.0018488200000000 ] - [ -0.0003212800000000, -0.0018498100000000, -0.0012388600000000 ] - [ 0.0017648700000000, -0.0004550200000000, 0.0003551300000000 ] - [ 0.0008399800000000, -0.0007946400000000, 0.0003524400000000 ] - [ -0.0002247000000000, -0.0017015400000000, -0.0009669000000000 ] - [ 0.0009975300000000, -0.0028610400000000, 0.0013356500000000 ] - [ -0.0002766500000000, -0.0015229200000000, 0.0009273300000000 ] - [ -0.0006216900000000, -0.0014790000000000, 0.0009245500000000 ] - [ 0.0007487500000000, -0.0007860200000000, 0.0013457200000000 ] - [ -0.0013346500000000, -0.0007097800000000, 0.0009287100000000 ] - [ -0.0001367900000000, -0.0015577000000000, 0.0009249600000000 ] - [ 0.0130721500000000, 0.0051730000000000, 0.0016179100000000 ] - [ -0.0098865500000000, -0.0021925000000000, 0.0045825800000000 ] - [ -0.0006861800000000, 0.0013466300000000, -0.0010348200000000 ] - [ -0.0030817200000000, 0.0001475700000000, 0.0020558000000000 ] - [ 0.0011827500000000, 0.0016560500000000, -0.0003684000000000 ] - [ -0.0007992300000000, 0.0012313100000000, -0.0006554100000000 ] - [ -0.0143318400000000, 0.0088070300000000, -0.0001708000000000 ] - [ 0.0055995800000000, -0.0009134300000000, -0.0030029400000000 ] - [ -0.0004168800000000, -0.0018810700000000, -0.0011485500000000 ] - [ 0.0004774400000000, -0.0021014800000000, -0.0001332300000000 ] - [ -0.0008605200000000, -0.0017979500000000, 0.0009340900000000 ] - [ -0.0004788100000000, -0.0016503100000000, -0.0007708900000000 ] - [ 0.0001808400000000, 0.0022924700000000, 0.0005050700000000 ] - [ -0.0004712600000000, 0.0017943100000000, 0.0006176500000000 ] - [ -0.0005431100000000, 0.0017137700000000, 0.0006711800000000 ] - [ 0.0007193700000000, 0.0024044600000000, 0.0019174000000000 ] - [ 0.0000286200000000, 0.0021935600000000, 0.0014655700000000 ] - [ 0.0000782600000000, 0.0020431200000000, 0.0013232100000000 ] - [ -0.0001632600000000, 0.0022588800000000, -0.0016836800000000 ] - [ -0.0002833900000000, 0.0030761500000000, -0.0017006000000000 ] - [ -0.0005070600000000, 0.0022379100000000, -0.0013864300000000 ] - [ 0.0001860500000000, 0.0018892100000000, -0.0004979000000000 ] - [ 0.0005973700000000, 0.0018511600000000, -0.0005094700000000 ] - [ -0.0002022500000000, 0.0020466500000000, -0.0009871100000000 ] - [ 0.0030281900000000, 0.0144048300000000, 0.0178174900000000 ] - [ 0.0007238700000000, -0.0017216300000000, 0.0010553500000000 ] - [ -0.0011106900000000, -0.0024860300000000, 0.0016635200000000 ] - [ -0.0020772200000000, -0.0149491900000000, 0.0175801400000000 ] - [ -0.0015735300000000, -0.0031510400000000, 0.0016547800000000 ] - [ 0.0001816500000000, -0.0021300100000000, 0.0010702700000000 ] - [ -0.0003993100000000, 0.0019511600000000, 0.0000213700000000 ] - [ -0.0000420300000000, 0.0008218400000000, -0.0005582600000000 ] - [ -0.0013637300000000, 0.0022234400000000, 0.0003108400000000 ] - [ 0.0009601500000000, -0.0001862800000000, -0.0017530200000000 ] - [ -0.0002583200000000, 0.0005991600000000, -0.0008138500000000 ] - [ 0.0000536500000000, 0.0005203800000000, -0.0008885200000000 ] - [ 0.0003881000000000, -0.0011835300000000, -0.0000426400000000 ] - [ -0.0012641000000000, -0.0024076500000000, -0.0007866400000000 ] - [ -0.0005342200000000, -0.0007938100000000, 0.0002677800000000 ] - [ -0.0001692000000000, 0.0008236800000000, 0.0019718600000000 ] - [ 0.0019485000000000, 0.0005736400000000, 0.0026162400000000 ] - [ -0.0002955000000000, -0.0005142200000000, 0.0008015800000000 ] - [ -0.0011689500000000, 0.0018812200000000, -0.0049133900000000 ] - [ 0.0000459500000000, -0.0001480200000000, -0.0014132300000000 ] - [ -0.0013561500000000, 0.0000896800000000, -0.0019338000000000 ] - [ 0.0016650300000000, -0.0005740200000000, 0.0034177700000000 ] - [ 0.0000464300000000, -0.0007368600000000, -0.0002497900000000 ] - [ 0.0000188100000000, -0.0005278700000000, -0.0003564600000000 ] - [ 0.0004017800000000, 0.0014012400000000, -0.0000465300000000 ] - [ 0.0016255900000000, 0.0025516900000000, -0.0009575400000000 ] - [ -0.0002100800000000, 0.0006989600000000, 0.0007133800000000 ] - [ -0.0001755300000000, 0.0005893000000000, 0.0012380800000000 ] - [ -0.0007833000000000, -0.0006390900000000, 0.0021684600000000 ] - [ -0.0004938800000000, 0.0002722100000000, 0.0012246200000000 ] - [ 0.0015868700000000, -0.0003756500000000, -0.0008627100000000 ] - [ -0.0087505600000000, 0.0118497800000000, 0.0120857400000000 ] - [ -0.0005728000000000, -0.0002682200000000, 0.0008826200000000 ] - [ -0.0009682400000000, -0.0011206700000000, 0.0017665900000000 ] - [ 0.0012683500000000, -0.0012750300000000, 0.0005972900000000 ] - [ -0.0006037100000000, -0.0003781200000000, 0.0012267800000000 ] - [ 0.0024503600000000, -0.0124792500000000, 0.0160888100000000 ] - [ -0.0001388200000000, 0.0002931800000000, -0.0009553200000000 ] - [ -0.0005923300000000, 0.0002049700000000, -0.0007121200000000 ] - [ 0.0055379900000000, 0.0107258800000000, 0.0149336700000000 ] - [ -0.0021297400000000, 0.0007102400000000, -0.0010899800000000 ] - [ -0.0000693600000000, 0.0005010100000000, -0.0011410100000000 ] - [ -0.0112905700000000, -0.0081819400000000, -0.0028346800000000 ] - [ 0.0001570100000000, -0.0022542400000000, -0.0057925300000000 ] - [ -0.0007903700000000, 0.0007460500000000, 0.0000764400000000 ] - [ 0.0018396300000000, 0.0001874500000000, 0.0032947900000000 ] - [ 0.0015463600000000, -0.0001850000000000, 0.0044216300000000 ] - [ -0.0004336600000000, 0.0005252700000000, 0.0007231700000000 ] - [ 0.0043899200000000, 0.0014044900000000, -0.0066932500000000 ] - [ -0.0002797400000000, -0.0005047100000000, -0.0013230700000000 ] - [ -0.0006311500000000, -0.0006082300000000, -0.0012558600000000 ] - [ -0.0009830800000000, -0.0012793800000000, 0.0033141600000000 ] - [ -0.0016589900000000, -0.0010012100000000, 0.0012463700000000 ] - [ -0.0004864900000000, -0.0010732100000000, 0.0000194400000000 ] - [ -0.0155485500000000, 0.0002022200000000, 0.0361372700000000 ] - [ -0.0018638000000000, 0.0024826800000000, 0.0006445800000000 ] - [ 0.0010510100000000, 0.0007550800000000, 0.0002786000000000 ] - [ -0.0036208600000000, 0.0017089900000000, -0.0057447100000000 ] - [ 0.0026472600000000, 0.0003716100000000, -0.0040903300000000 ] - [ 0.0003657400000000, 0.0002812000000000, -0.0003777200000000 ] - [ 0.0000974700000000, -0.0005817000000000, 0.0010609900000000 ] - [ -0.0019177300000000, -0.0029987600000000, 0.0022809100000000 ] - [ 0.0008566100000000, -0.0005389500000000, 0.0005508400000000 ] - [ 0.0000189400000000, 0.0000783500000000, -0.0010145300000000 ] - [ -0.0008609700000000, -0.0002220600000000, -0.0015415800000000 ] - [ 0.0005190400000000, -0.0007761000000000, -0.0003491500000000 ] - [ 0.0085300100000000, -0.0136675600000000, 0.0236965600000000 ] - [ 0.0020164600000000, 0.0027163400000000, 0.0042907300000000 ] - [ 0.0006476200000000, 0.0003269000000000, 0.0006381800000000 ] - [ 0.0022303600000000, -0.0005467200000000, -0.0054478500000000 ] - [ -0.0005440800000000, -0.0000597100000000, -0.0018090700000000 ] - [ 0.0007771900000000, -0.0000757900000000, -0.0006979200000000 ] - [ 0.0004080100000000, -0.0000542700000000, -0.0001684000000000 ] - [ -0.0008843100000000, -0.0004948900000000, 0.0004602600000000 ] - [ 0.0003743200000000, -0.0001147100000000, 0.0001540800000000 ] - [ -0.0002228500000000, -0.0004283800000000, 0.0002370000000000 ] - [ -0.0005291600000000, -0.0007194800000000, -0.0004217500000000 ] - [ 0.0006204200000000, -0.0004121000000000, -0.0002674200000000 ] - [ -0.0000554800000000, 0.0086716300000000, 0.0034344600000000 ] - [ -0.0001802900000000, -0.0011653000000000, 0.0020667100000000 ] - [ 0.0016441100000000, -0.0005521900000000, 0.0000551200000000 ] - [ -0.0062505500000000, -0.0067178200000000, -0.0053589300000000 ] - [ 0.0051558300000000, -0.0009965400000000, -0.0071072500000000 ] - [ 0.0008779100000000, -0.0006122400000000, -0.0004979700000000 ] - [ -0.0000403500000000, -0.0022482800000000, 0.0094726100000000 ] - [ -0.0391023600000000, 0.0379069800000000, 0.0381710300000000 ] - [ 0.0023602500000000, 0.0006343100000000, 0.0015255300000000 ] - [ 0.0017302200000000, 0.0020025000000000, -0.0035242600000000 ] - [ -0.0067016900000000, 0.0022645500000000, -0.0115523800000000 ] - [ 0.0012532000000000, 0.0013920600000000, -0.0008667300000000 ] - [ -0.0002367400000000, -0.0007849600000000, 0.0031331500000000 ] - [ 0.0004795900000000, 0.0002555000000000, 0.0027020700000000 ] - [ 0.0011918000000000, -0.0001865800000000, 0.0010325100000000 ] - [ -0.0007677000000000, -0.0005666900000000, -0.0028850200000000 ] - [ -0.0004773000000000, -0.0007963300000000, -0.0022169300000000 ] - [ 0.0011151900000000, 0.0001168000000000, -0.0013300500000000 ] - [ 0.0052066500000000, -0.0054859300000000, -0.0019051600000000 ] - [ -0.0090484200000000, -0.0131946600000000, 0.0033762100000000 ] - [ 0.0001278400000000, -0.0005745400000000, 0.0002956300000000 ] - [ -0.0005169200000000, 0.0003329000000000, -0.0004063800000000 ] - [ 0.0035921200000000, 0.0076753000000000, -0.0058510300000000 ] - [ 0.0013621300000000, 0.0003965200000000, -0.0005559500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0642712700000000, 0.0364572000000000, 0.1585091600000000 ] - [ 0.0004855000000000, 0.0021274600000000, 0.0018672400000000 ] - [ 0.0003248400000000, 0.0021928600000000, 0.0018818400000000 ] - [ 0.0003509000000000, 0.0017829500000000, -0.0023168900000000 ] - [ 0.0002786400000000, 0.0018451900000000, 0.0004201400000000 ] - [ 0.0006338700000000, 0.0015546600000000, 0.0004320700000000 ] - [ 0.0011508700000000, -0.0005897500000000, -0.0002228600000000 ] - [ -0.0000405300000000, -0.0023879800000000, -0.0002361400000000 ] - [ 0.0005574900000000, -0.0016523000000000, -0.0008236800000000 ] - [ -0.0015228300000000, -0.0030874400000000, -0.0024206300000000 ] - [ -0.0005709900000000, -0.0026866700000000, -0.0024231400000000 ] - [ 0.0004632800000000, -0.0017986800000000, -0.0010933000000000 ] - [ -0.0012383700000000, -0.0006435800000000, 0.0007166500000000 ] - [ 0.0000168000000000, -0.0019625100000000, 0.0011497300000000 ] - [ 0.0003630600000000, -0.0020503900000000, 0.0011269700000000 ] - [ -0.0009740800000000, -0.0027269300000000, 0.0007262500000000 ] - [ 0.0010661200000000, -0.0027700300000000, 0.0011510500000000 ] - [ -0.0001219100000000, -0.0019707600000000, 0.0011271800000000 ] - [ -0.0134249000000000, -0.0016909700000000, -0.0037174800000000 ] - [ 0.0097078100000000, 0.0057287400000000, -0.0066539800000000 ] - [ 0.0004512400000000, 0.0021559600000000, -0.0010268500000000 ] - [ 0.0028016000000000, 0.0033345100000000, -0.0041265900000000 ] - [ -0.0014270200000000, 0.0018819500000000, -0.0016881500000000 ] - [ 0.0005658000000000, 0.0022729100000000, -0.0014074200000000 ] - [ 0.0141689800000000, -0.0123691800000000, -0.0020069500000000 ] - [ -0.0058591100000000, -0.0026419500000000, 0.0009059000000000 ] - [ 0.0001827100000000, -0.0016203000000000, -0.0009140800000000 ] - [ -0.0007462600000000, -0.0013755500000000, -0.0019348700000000 ] - [ 0.0006056200000000, -0.0017289900000000, -0.0029902700000000 ] - [ 0.0002427100000000, -0.0018499200000000, -0.0012908500000000 ] - [ -0.0004236300000000, 0.0012018900000000, 0.0015530700000000 ] - [ 0.0002081100000000, 0.0016889100000000, 0.0014581600000000 ] - [ 0.0002864500000000, 0.0018117000000000, 0.0013826500000000 ] - [ -0.0009571700000000, 0.0010935300000000, 0.0001428600000000 ] - [ -0.0002891900000000, 0.0012919000000000, 0.0006145100000000 ] - [ -0.0003434500000000, 0.0014781100000000, 0.0007260200000000 ] - [ 0.0004299200000000, 0.0012568300000000, -0.0003620900000000 ] - [ 0.0005424400000000, 0.0004229500000000, -0.0003787300000000 ] - [ 0.0007452700000000, 0.0012616300000000, -0.0006741400000000 ] - [ 0.0000720100000000, 0.0016338100000000, -0.0015555300000000 ] - [ -0.0003306900000000, 0.0016292600000000, -0.0015668100000000 ] - [ 0.0004405400000000, 0.0014532500000000, -0.0010739500000000 ] - [ -0.0027669500000000, -0.0176451000000000, -0.0154811700000000 ] - [ -0.0004633000000000, -0.0018026300000000, 0.0009928400000000 ] - [ 0.0013822600000000, -0.0009884700000000, 0.0004051000000000 ] - [ 0.0023077000000000, 0.0116096400000000, -0.0157188300000000 ] - [ 0.0018358400000000, -0.0003728100000000, 0.0003962100000000 ] - [ 0.0000827000000000, -0.0013508800000000, 0.0010076700000000 ] - [ 0.0003411800000000, -0.0008616500000000, -0.0014888300000000 ] - [ 0.0000095800000000, 0.0002597500000000, -0.0009188500000000 ] - [ 0.0013711100000000, -0.0011583200000000, -0.0017909700000000 ] - [ -0.0010228900000000, 0.0012758000000000, 0.0003007800000000 ] - [ 0.0002223800000000, 0.0004839700000000, -0.0006594400000000 ] - [ -0.0000592000000000, 0.0005622600000000, -0.0005768100000000 ] - [ -0.0004193800000000, 0.0000959200000000, 0.0015247100000000 ] - [ 0.0012624600000000, 0.0013308100000000, 0.0022638700000000 ] - [ 0.0004812800000000, -0.0002905400000000, 0.0011979400000000 ] - [ 0.0001182300000000, -0.0019075600000000, -0.0005150400000000 ] - [ -0.0019505300000000, -0.0016537900000000, -0.0011550600000000 ] - [ 0.0002420100000000, -0.0005705800000000, 0.0006606000000000 ] - [ 0.0012149300000000, -0.0030469700000000, 0.0034235100000000 ] - [ -0.0000385000000000, -0.0009371500000000, -0.0000533900000000 ] - [ 0.0014020600000000, -0.0011767200000000, 0.0004669500000000 ] - [ -0.0016137500000000, -0.0004989000000000, -0.0048772500000000 ] - [ -0.0000361500000000, -0.0003478800000000, -0.0012144900000000 ] - [ 0.0000191500000000, -0.0005554700000000, -0.0011170100000000 ] - [ -0.0003988000000000, -0.0003257600000000, 0.0015154700000000 ] - [ -0.0015877700000000, -0.0014641900000000, 0.0024257900000000 ] - [ 0.0002697300000000, 0.0003869100000000, 0.0007484000000000 ] - [ 0.0001766700000000, 0.0004913300000000, 0.0002320200000000 ] - [ 0.0008191500000000, 0.0017284000000000, -0.0006954000000000 ] - [ 0.0005538900000000, 0.0008137500000000, 0.0002365000000000 ] - [ -0.0015947800000000, -0.0007048100000000, 0.0023452100000000 ] - [ 0.0087206400000000, -0.0128144900000000, -0.0106146100000000 ] - [ 0.0006287400000000, -0.0008179200000000, 0.0005796700000000 ] - [ 0.0009711000000000, 0.0000375500000000, -0.0003077100000000 ] - [ -0.0012219200000000, 0.0001813800000000, 0.0008714400000000 ] - [ 0.0006613800000000, -0.0007098900000000, 0.0002354100000000 ] - [ -0.0023893700000000, 0.0133782700000000, -0.0173464600000000 ] - [ 0.0001516400000000, 0.0007912200000000, -0.0005083300000000 ] - [ 0.0006262500000000, 0.0008784500000000, -0.0007668300000000 ] - [ -0.0055352600000000, -0.0098340300000000, -0.0166276600000000 ] - [ 0.0021363500000000, 0.0003664800000000, -0.0003748000000000 ] - [ 0.0001067900000000, 0.0005826100000000, -0.0003285800000000 ] - [ 0.0112750500000000, 0.0093103300000000, 0.0042459100000000 ] - [ -0.0001229800000000, 0.0033441200000000, 0.0072841700000000 ] - [ 0.0007349500000000, 0.0003384100000000, 0.0013877200000000 ] - [ -0.0018883800000000, 0.0008987600000000, -0.0018289600000000 ] - [ -0.0015371500000000, 0.0012574900000000, -0.0029336300000000 ] - [ 0.0003777800000000, 0.0005592700000000, 0.0007415400000000 ] - [ -0.0044585200000000, -0.0024692300000000, 0.0052227300000000 ] - [ 0.0002480400000000, -0.0005797400000000, -0.0001584500000000 ] - [ 0.0006254000000000, -0.0004744300000000, -0.0002113500000000 ] - [ 0.0009250500000000, 0.0001770900000000, -0.0047765900000000 ] - [ 0.0016178500000000, -0.0000846500000000, -0.0027144000000000 ] - [ 0.0004761400000000, -0.0000139400000000, -0.0014849800000000 ] - [ 0.0132396200000000, -0.0000801000000000, -0.0331315100000000 ] - [ 0.0018514000000000, -0.0021506300000000, -0.0006347200000000 ] - [ -0.0010525600000000, -0.0004168300000000, -0.0002779200000000 ] - [ 0.0036402800000000, -0.0013929800000000, 0.0057257200000000 ] - [ -0.0026563600000000, -0.0000253400000000, 0.0040930200000000 ] - [ -0.0003620800000000, 0.0000603600000000, 0.0003746300000000 ] - [ -0.0000962000000000, 0.0002421300000000, -0.0010618700000000 ] - [ 0.0019080100000000, 0.0026420300000000, -0.0022715200000000 ] - [ -0.0008602000000000, 0.0001973800000000, -0.0005490400000000 ] - [ -0.0000140600000000, -0.0004201600000000, 0.0010189300000000 ] - [ 0.0008605800000000, -0.0001095200000000, 0.0015405100000000 ] - [ -0.0005262100000000, 0.0004322600000000, 0.0003456900000000 ] - [ -0.0089933500000000, 0.0139145000000000, -0.0237869800000000 ] - [ -0.0020109400000000, -0.0030640700000000, -0.0043022200000000 ] - [ -0.0006496000000000, -0.0006727400000000, -0.0006426000000000 ] - [ -0.0022137300000000, 0.0001948700000000, 0.0054387600000000 ] - [ 0.0005335600000000, -0.0002917100000000, 0.0018081300000000 ] - [ -0.0007760200000000, -0.0002715300000000, 0.0007015400000000 ] - [ -0.0004059400000000, 0.0004070900000000, 0.0001691900000000 ] - [ 0.0008906500000000, 0.0008402500000000, -0.0004538500000000 ] - [ -0.0003821800000000, 0.0004602300000000, -0.0001534400000000 ] - [ 0.0002259000000000, 0.0007787500000000, -0.0002424300000000 ] - [ 0.0005304400000000, 0.0010631800000000, 0.0004193500000000 ] - [ -0.0006261100000000, 0.0007538700000000, 0.0002639400000000 ] - [ 0.0001009100000000, -0.0096173800000000, -0.0033826200000000 ] - [ 0.0001616900000000, 0.0002203200000000, -0.0020596800000000 ] - [ -0.0016459300000000, -0.0004020400000000, -0.0000533900000000 ] - [ 0.0063017900000000, 0.0058150200000000, 0.0053670800000000 ] - [ -0.0051306500000000, 0.0000471600000000, 0.0070509300000000 ] - [ -0.0008750000000000, -0.0003428700000000, 0.0004930100000000 ] - [ 0.0000139600000000, 0.0031843500000000, -0.0094916900000000 ] - [ 0.0399503900000000, -0.0379959000000000, -0.0378565100000000 ] - [ -0.0023659400000000, 0.0003216000000000, -0.0015239200000000 ] - [ -0.0017129600000000, -0.0010388500000000, 0.0035319500000000 ] - [ 0.0066574000000000, -0.0013059400000000, 0.0115106700000000 ] - [ -0.0012619700000000, -0.0004317300000000, 0.0008625500000000 ] - [ 0.0002307500000000, 0.0017679500000000, -0.0031534800000000 ] - [ -0.0004791800000000, 0.0006980200000000, -0.0026992000000000 ] - [ -0.0011994500000000, 0.0011485800000000, -0.0010376900000000 ] - [ 0.0007809200000000, 0.0015239400000000, 0.0028892400000000 ] - [ 0.0004685600000000, 0.0017564100000000, 0.0022163400000000 ] - [ -0.0011224000000000, 0.0008439800000000, 0.0013404500000000 ] - [ -0.0052458800000000, 0.0045732200000000, 0.0019456300000000 ] - [ 0.0090025600000000, 0.0121928300000000, -0.0032883500000000 ] - [ -0.0001363300000000, -0.0003823400000000, -0.0002949100000000 ] - [ 0.0005158600000000, -0.0012935200000000, 0.0003941100000000 ] - [ -0.0035839300000000, -0.0086543700000000, 0.0058434800000000 ] - [ -0.0013711000000000, -0.0013555000000000, 0.0005522900000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0012089800000000, 0.0013731900000000, 0.0006623700000000 ] - [ 0.0030234400000000, -0.0007694500000000, -0.0003379000000000 ] - [ 0.0006539600000000, 0.0019923700000000, 0.0010123700000000 ] - [ -0.0014117000000000, 0.0028104700000000, 0.0020205400000000 ] - [ 0.0007033300000000, 0.0009936800000000, 0.0010834700000000 ] - [ 0.0008623800000000, 0.0019898500000000, 0.0007984700000000 ] - [ -0.0005925300000000, -0.0036001400000000, 0.0002363400000000 ] - [ 0.0003425200000000, 0.0007330500000000, -0.0014428100000000 ] - [ 0.0015613400000000, -0.0010266900000000, -0.0005236500000000 ] - [ -0.0008090400000000, -0.0044852700000000, -0.0029678300000000 ] - [ -0.0017182000000000, -0.0019169200000000, -0.0008942300000000 ] - [ 0.0014949900000000, -0.0012119600000000, -0.0007606700000000 ] - [ -0.0038912000000000, -0.0023931500000000, 0.0022235000000000 ] - [ 0.0009534500000000, -0.0011271500000000, 0.0009941500000000 ] - [ 0.0026449500000000, -0.0040663000000000, 0.0023997100000000 ] - [ -0.0014673600000000, -0.0017505900000000, -0.0006021300000000 ] - [ 0.0001629100000000, -0.0012191000000000, 0.0009968700000000 ] - [ 0.0006853200000000, -0.0026054400000000, 0.0010275600000000 ] - [ -0.0005068600000000, 0.0021025000000000, -0.0012145000000000 ] - [ -0.0008112200000000, 0.0005266600000000, -0.0018233000000000 ] - [ 0.0012027600000000, 0.0024288200000000, -0.0015532200000000 ] - [ -0.0011528300000000, 0.0025784700000000, -0.0006404000000000 ] - [ -0.0014799700000000, -0.0008618500000000, 0.0005785500000000 ] - [ 0.0011861700000000, 0.0022174700000000, -0.0012696100000000 ] - [ -0.0027149700000000, 0.0004861900000000, 0.0005445300000000 ] - [ 0.0140426000000000, -0.0118174300000000, -0.0097565400000000 ] - [ 0.0022908800000000, -0.0028927900000000, -0.0016325100000000 ] - [ -0.0007946500000000, 0.0004280800000000, -0.0020062800000000 ] - [ -0.0017447400000000, -0.0013362400000000, 0.0002214900000000 ] - [ 0.0018530100000000, -0.0025756700000000, -0.0016631500000000 ] - [ -0.0048533200000000, 0.0012475000000000, -0.0013276900000000 ] - [ 0.0021527500000000, 0.0035933400000000, 0.0011856200000000 ] - [ 0.0009670000000000, 0.0018037200000000, 0.0016363800000000 ] - [ -0.0112201800000000, -0.0061881100000000, -0.0045278600000000 ] - [ 0.0034260000000000, 0.0043957400000000, 0.0031754200000000 ] - [ 0.0037294700000000, 0.0024338500000000, 0.0011171900000000 ] - [ -0.0012188700000000, 0.0019073000000000, -0.0025590700000000 ] - [ -0.0019731300000000, 0.0037474600000000, -0.0029043900000000 ] - [ 0.0019383000000000, 0.0009567800000000, -0.0006247400000000 ] - [ 0.0137859700000000, -0.0100585800000000, -0.0011564700000000 ] - [ 0.0154845200000000, 0.0119283600000000, 0.0102898800000000 ] - [ 0.0025421400000000, 0.0006865200000000, -0.0002694000000000 ] - [ -0.0083682800000000, -0.0059645300000000, 0.0054630900000000 ] - [ 0.0034722500000000, -0.0017680300000000, 0.0003952700000000 ] - [ 0.0030657800000000, 0.0006381600000000, 0.0007739700000000 ] - [ -0.0011958200000000, -0.0019077400000000, 0.0000788400000000 ] - [ 0.0006523300000000, -0.0019068500000000, 0.0005469400000000 ] - [ 0.0030049200000000, 0.0002918600000000, -0.0005968300000000 ] - [ -0.1401262000000000, 0.0034008300000000, 0.0675477200000000 ] - [ 0.0029904400000000, 0.0002351600000000, -0.0018066600000000 ] - [ 0.0030038600000000, 0.0002933500000000, -0.0013965700000000 ] - [ -0.0020487500000000, 0.0013953400000000, -0.0015840100000000 ] - [ 0.0034737400000000, -0.0010405100000000, -0.0040186000000000 ] - [ 0.0034814600000000, -0.0001856600000000, -0.0039690100000000 ] - [ -0.0025131700000000, -0.0003165600000000, -0.0018288300000000 ] - [ -0.0025160200000000, -0.0019430700000000, -0.0035716800000000 ] - [ 0.0023938000000000, 0.0000836700000000, 0.0020222600000000 ] - [ 0.0162256900000000, 0.0149636500000000, 0.0022399400000000 ] - [ 0.0164591000000000, -0.0086809000000000, 0.0118430900000000 ] - [ 0.0030141700000000, 0.0004672200000000, 0.0026321900000000 ] - [ -0.0088828300000000, 0.0012029400000000, -0.0069192900000000 ] - [ 0.0034279400000000, -0.0013547500000000, -0.0000878400000000 ] - [ 0.0030350900000000, -0.0010441700000000, 0.0016702200000000 ] - [ -0.0088578100000000, 0.0074368300000000, -0.0093918300000000 ] - [ 0.0034316500000000, -0.0020689300000000, 0.0026853200000000 ] - [ 0.0030349600000000, -0.0004413300000000, 0.0000105700000000 ] - [ 0.0022365200000000, 0.0014980900000000, 0.0072839800000000 ] - [ 0.0246322100000000, 0.0023913700000000, -0.0259219800000000 ] - [ 0.0027779500000000, 0.0015364000000000, -0.0008238900000000 ] - [ 0.0178321700000000, 0.0081873400000000, -0.0188368700000000 ] - [ -0.0036348300000000, 0.0003556000000000, 0.0036472300000000 ] - [ 0.0029739200000000, 0.0011434500000000, -0.0009492700000000 ] - [ -0.0000312700000000, -0.0008683400000000, 0.0006530200000000 ] - [ -0.0004956300000000, -0.0003225700000000, 0.0006231200000000 ] - [ 0.0011173500000000, -0.0011493800000000, 0.0000007000000000 ] - [ -0.0003159300000000, -0.0021224200000000, 0.0012164900000000 ] - [ -0.0010467900000000, 0.0003985300000000, 0.0013611800000000 ] - [ 0.0011485000000000, -0.0009127400000000, 0.0001702000000000 ] - [ -0.0012602500000000, -0.0008064600000000, -0.0012061000000000 ] - [ 0.0007465900000000, 0.0005971600000000, -0.0000596800000000 ] - [ 0.0007305200000000, 0.0008859100000000, -0.0003409100000000 ] - [ -0.0012854600000000, -0.0003131300000000, -0.0018358400000000 ] - [ 0.0002044000000000, 0.0003920300000000, -0.0007601900000000 ] - [ 0.0005967300000000, 0.0009221100000000, -0.0005483600000000 ] - [ -0.0005234800000000, 0.0005705700000000, 0.0007391900000000 ] - [ -0.0005159300000000, -0.0003081600000000, 0.0001644100000000 ] - [ 0.0011947900000000, -0.0001578100000000, 0.0015034600000000 ] - [ -0.0004086500000000, 0.0006561900000000, 0.0005215600000000 ] - [ -0.0003981600000000, 0.0004882500000000, 0.0005775100000000 ] - [ 0.0009015300000000, 0.0002118900000000, 0.0012227100000000 ] - [ -0.0014264900000000, -0.0011379800000000, 0.0000939800000000 ] - [ 0.0007559000000000, -0.0000909300000000, -0.0012145500000000 ] - [ 0.0004775800000000, -0.0006715600000000, -0.0008729500000000 ] - [ -0.0014234100000000, -0.0022488900000000, 0.0000814900000000 ] - [ 0.0004578600000000, 0.0000765700000000, -0.0008294100000000 ] - [ 0.0007741500000000, -0.0008235000000000, -0.0013405300000000 ] - [ 0.0034743700000000, 0.0010104200000000, 0.0006796900000000 ] - [ -0.0022587000000000, 0.0046236000000000, -0.0021163200000000 ] - [ -0.0020370500000000, -0.0004353900000000, -0.0005846700000000 ] - [ 0.0017572800000000, -0.0007419400000000, 0.0004731900000000 ] - [ -0.0000270100000000, 0.0004277200000000, 0.0003466000000000 ] - [ -0.0017847700000000, -0.0004160000000000, -0.0001452000000000 ] - [ -0.0005461900000000, 0.0002969000000000, -0.0003902500000000 ] - [ 0.0022563600000000, -0.0014907600000000, 0.0008858700000000 ] - [ -0.0018522000000000, -0.0008252900000000, 0.0004290000000000 ] - [ -0.0037698100000000, 0.0057421800000000, 0.0020993400000000 ] - [ 0.0065082000000000, 0.0003447500000000, -0.0033894100000000 ] - [ -0.0024780500000000, -0.0010355200000000, 0.0003065700000000 ] - [ 0.0035798000000000, 0.0005763500000000, 0.0008263700000000 ] - [ -0.0023365600000000, 0.0004781100000000, 0.0050690300000000 ] - [ -0.0024049300000000, -0.0008002600000000, 0.0006637600000000 ] - [ 0.0050151200000000, -0.0059709700000000, -0.0015288400000000 ] - [ -0.0019782100000000, 0.0046718600000000, -0.0035805700000000 ] - [ -0.0028632300000000, -0.0008538000000000, 0.0004384000000000 ] - [ -0.0051957500000000, 0.0015499200000000, -0.0051868600000000 ] - [ 0.0261356100000000, 0.0067425600000000, -0.0098959400000000 ] - [ -0.0030932600000000, -0.0006276600000000, -0.0004464000000000 ] - [ -0.0029045100000000, 0.0049982200000000, 0.0031472000000000 ] - [ 0.0056340400000000, -0.0006456900000000, 0.0038572000000000 ] - [ -0.0026107900000000, -0.0005520900000000, -0.0008034200000000 ] - [ 0.0035563500000000, 0.0026874700000000, -0.0015283300000000 ] - [ -0.0010276900000000, -0.0026750700000000, -0.0003048800000000 ] - [ -0.0033664500000000, 0.0006761300000000, -0.0008367700000000 ] - [ 0.0025879000000000, 0.0023630200000000, 0.0016318400000000 ] - [ 0.0004165000000000, -0.0012472900000000, 0.0001728800000000 ] - [ -0.0026561000000000, -0.0000144200000000, 0.0004094700000000 ] - [ -0.0003408300000000, 0.0000648400000000, 0.0000318200000000 ] - [ 0.0030593500000000, 0.0025611800000000, 0.0014586000000000 ] - [ -0.0030918200000000, 0.0015192800000000, 0.0008188400000000 ] - [ -0.0008156800000000, 0.0000890800000000, 0.0001946100000000 ] - [ 0.0037864700000000, 0.0021651800000000, -0.0018036600000000 ] - [ -0.0025323900000000, 0.0008652100000000, -0.0003256200000000 ] - [ 0.0103373400000000, -0.0010157700000000, 0.0006708500000000 ] - [ -0.0081113400000000, -0.0000076100000000, 0.0120259000000000 ] - [ -0.0059140800000000, 0.0011717600000000, 0.0010308100000000 ] - [ 0.0273831400000000, -0.0128514000000000, -0.0133464300000000 ] - [ -0.0101381500000000, -0.0014116800000000, -0.0102048600000000 ] - [ -0.0083300000000000, -0.0000162100000000, 0.0000139600000000 ] - [ -0.0090874900000000, -0.0048139000000000, -0.0099854000000000 ] - [ 0.0138263400000000, 0.0001427000000000, 0.0010939300000000 ] - [ -0.0082406800000000, -0.0003572900000000, -0.0007286400000000 ] - [ -0.0066911700000000, -0.0086585300000000, 0.0065188300000000 ] - [ 0.0103483200000000, -0.0006135100000000, 0.0058560000000000 ] - [ -0.0057487000000000, 0.0006875200000000, -0.0008221600000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0014482700000000, 0.0021308500000000, 0.0014028000000000 ] - [ -0.0027830200000000, 0.0043021700000000, 0.0023965200000000 ] - [ -0.0003888900000000, 0.0014844200000000, 0.0010638300000000 ] - [ 0.0016526500000000, 0.0006881700000000, 0.0000379900000000 ] - [ -0.0004471400000000, 0.0025306100000000, 0.0009709700000000 ] - [ -0.0005955600000000, 0.0014848000000000, 0.0012789100000000 ] - [ 0.0008718000000000, 0.0000896600000000, -0.0022904300000000 ] - [ -0.0000970700000000, -0.0042216100000000, -0.0006357700000000 ] - [ -0.0013267100000000, -0.0024710800000000, -0.0015391400000000 ] - [ 0.0010799000000000, 0.0009741000000000, 0.0009309400000000 ] - [ 0.0019814700000000, -0.0015612300000000, -0.0011830300000000 ] - [ -0.0012555600000000, -0.0022816800000000, -0.0012982900000000 ] - [ 0.0036961800000000, -0.0012805100000000, -0.0001602800000000 ] - [ -0.0012262600000000, -0.0023475200000000, 0.0010794200000000 ] - [ -0.0029162600000000, 0.0005555000000000, -0.0003579800000000 ] - [ 0.0012339700000000, -0.0017574000000000, 0.0026763200000000 ] - [ -0.0004290700000000, -0.0022578200000000, 0.0010796900000000 ] - [ -0.0009400600000000, -0.0009194000000000, 0.0010269900000000 ] - [ 0.0002495000000000, 0.0013793600000000, -0.0008625600000000 ] - [ 0.0005481700000000, 0.0029972400000000, -0.0002213100000000 ] - [ -0.0014431400000000, 0.0010668000000000, -0.0005061400000000 ] - [ 0.0008986400000000, 0.0008967400000000, -0.0014401300000000 ] - [ 0.0012143000000000, 0.0043798300000000, -0.0026339000000000 ] - [ -0.0014264300000000, 0.0012775900000000, -0.0007896600000000 ] - [ 0.0024752200000000, -0.0039812500000000, -0.0026361600000000 ] - [ -0.0143067500000000, 0.0083619800000000, 0.0077136100000000 ] - [ -0.0025295300000000, -0.0006087600000000, -0.0004310200000000 ] - [ 0.0005451800000000, -0.0039192000000000, -0.0000672700000000 ] - [ 0.0014791100000000, -0.0021885200000000, -0.0022682100000000 ] - [ -0.0020902600000000, -0.0009263300000000, -0.0003983200000000 ] - [ 0.0046232600000000, 0.0022164300000000, 0.0035117700000000 ] - [ -0.0024136100000000, -0.0001052200000000, 0.0008949900000000 ] - [ -0.0012141200000000, 0.0017280500000000, 0.0004182200000000 ] - [ 0.0111002700000000, 0.0097161300000000, 0.0065446800000000 ] - [ -0.0036829700000000, -0.0009051800000000, -0.0010901600000000 ] - [ -0.0040079400000000, 0.0010878800000000, 0.0009414200000000 ] - [ 0.0014964200000000, 0.0016087700000000, 0.0005229600000000 ] - [ 0.0022157700000000, -0.0002516500000000, 0.0008227900000000 ] - [ -0.0017032000000000, 0.0025458400000000, -0.0014369400000000 ] - [ -0.0137320100000000, 0.0137564400000000, -0.0008748800000000 ] - [ -0.0150639300000000, -0.0082761200000000, -0.0122767900000000 ] - [ -0.0023142100000000, 0.0028204800000000, -0.0017948800000000 ] - [ 0.0085915800000000, 0.0024834700000000, -0.0033833300000000 ] - [ -0.0032131500000000, -0.0017657100000000, 0.0016515800000000 ] - [ -0.0028164700000000, -0.0041337100000000, 0.0013023800000000 ] - [ 0.0014322800000000, -0.0015865800000000, 0.0019857500000000 ] - [ -0.0004022500000000, -0.0016255500000000, 0.0015090000000000 ] - [ -0.0027515900000000, -0.0037804900000000, 0.0026796900000000 ] - [ 0.1400554900000000, -0.0027981000000000, -0.0699575900000000 ] - [ -0.0030284800000000, 0.0008497800000000, 0.0003337400000000 ] - [ -0.0030143900000000, 0.0007903600000000, -0.0000761800000000 ] - [ 0.0019863600000000, -0.0003089300000000, 0.0001342300000000 ] - [ -0.0035005600000000, 0.0021142100000000, 0.0025322300000000 ] - [ -0.0034924000000000, 0.0012719600000000, 0.0025118500000000 ] - [ 0.0024991700000000, -0.0007546100000000, 0.0033235600000000 ] - [ 0.0024966200000000, 0.0008479900000000, 0.0050293600000000 ] - [ -0.0024497500000000, -0.0011684700000000, -0.0005579900000000 ] - [ -0.0165010600000000, -0.0162732100000000, -0.0007564300000000 ] - [ -0.0162655300000000, 0.0074368800000000, -0.0102533200000000 ] - [ -0.0030756500000000, -0.0015552100000000, -0.0011724200000000 ] - [ 0.0089427300000000, -0.0022356400000000, 0.0055226100000000 ] - [ -0.0034228100000000, 0.0002651500000000, -0.0013798600000000 ] - [ -0.0030062900000000, -0.0000346800000000, -0.0031562000000000 ] - [ 0.0089693900000000, -0.0085106100000000, 0.0078599600000000 ] - [ -0.0034188600000000, 0.0009874000000000, -0.0041450800000000 ] - [ -0.0030065600000000, -0.0006449900000000, -0.0014813600000000 ] - [ -0.0022507700000000, -0.0004050300000000, -0.0058754100000000 ] - [ -0.0243171300000000, -0.0012978600000000, 0.0270454200000000 ] - [ -0.0027224000000000, -0.0004508000000000, 0.0022872300000000 ] - [ -0.0179782400000000, -0.0071542100000000, 0.0204184200000000 ] - [ 0.0036579800000000, 0.0007225100000000, -0.0021695000000000 ] - [ -0.0029215500000000, -0.0000598200000000, 0.0024171200000000 ] - [ 0.0000396400000000, -0.0002185700000000, 0.0008158400000000 ] - [ 0.0005258000000000, -0.0007570700000000, 0.0008559600000000 ] - [ -0.0010649000000000, 0.0000676900000000, 0.0014648000000000 ] - [ 0.0003386200000000, 0.0010433900000000, 0.0002346000000000 ] - [ 0.0010748800000000, -0.0014855200000000, 0.0001105400000000 ] - [ -0.0010954900000000, -0.0001712800000000, 0.0012941300000000 ] - [ 0.0013144500000000, 0.0018818100000000, -0.0002640800000000 ] - [ -0.0007474600000000, 0.0004842500000000, -0.0014116500000000 ] - [ -0.0006930300000000, 0.0001952200000000, -0.0011320100000000 ] - [ 0.0013447200000000, 0.0014003900000000, 0.0003771700000000 ] - [ -0.0002010200000000, 0.0006916200000000, -0.0007058400000000 ] - [ -0.0005570000000000, 0.0001604600000000, -0.0009209100000000 ] - [ 0.0004985400000000, 0.0004966300000000, 0.0007429500000000 ] - [ 0.0005060900000000, 0.0013973600000000, 0.0013011900000000 ] - [ -0.0012548800000000, 0.0012438300000000, -0.0000419000000000 ] - [ 0.0003772800000000, 0.0004233300000000, 0.0009559400000000 ] - [ 0.0003879000000000, 0.0005979800000000, 0.0008875600000000 ] - [ -0.0009586400000000, 0.0008729400000000, 0.0002412400000000 ] - [ 0.0013659600000000, 0.0000433400000000, -0.0015489000000000 ] - [ -0.0007975300000000, -0.0009912200000000, -0.0002565900000000 ] - [ -0.0004771600000000, -0.0004117300000000, -0.0005979500000000 ] - [ 0.0013691400000000, 0.0011632400000000, -0.0015535400000000 ] - [ -0.0004971700000000, -0.0011592800000000, -0.0006435700000000 ] - [ -0.0007788700000000, -0.0002578200000000, -0.0001267200000000 ] - [ -0.0034985300000000, -0.0006650900000000, -0.0006798700000000 ] - [ 0.0022728500000000, -0.0042824700000000, 0.0021342900000000 ] - [ 0.0020448600000000, 0.0007877800000000, 0.0005875800000000 ] - [ -0.0017728400000000, 0.0010866700000000, -0.0004747800000000 ] - [ 0.0000338800000000, -0.0000803900000000, -0.0003487100000000 ] - [ 0.0017909500000000, 0.0007652000000000, 0.0001434700000000 ] - [ 0.0005328600000000, -0.0006390100000000, 0.0003855100000000 ] - [ -0.0022256800000000, 0.0011609900000000, -0.0009025800000000 ] - [ 0.0018485700000000, 0.0004749200000000, -0.0004294000000000 ] - [ 0.0037885600000000, -0.0061388000000000, -0.0021154900000000 ] - [ -0.0064892800000000, -0.0006787000000000, 0.0034319000000000 ] - [ 0.0024767500000000, 0.0006856300000000, -0.0003060800000000 ] - [ -0.0036103600000000, -0.0009353100000000, -0.0008296200000000 ] - [ 0.0023543200000000, -0.0008072800000000, -0.0050838600000000 ] - [ 0.0024113900000000, 0.0004623100000000, -0.0006648600000000 ] - [ -0.0050642100000000, 0.0056304300000000, 0.0015331300000000 ] - [ 0.0019795200000000, -0.0049992200000000, 0.0035717400000000 ] - [ 0.0028746900000000, 0.0005163800000000, -0.0004429700000000 ] - [ 0.0052008900000000, -0.0012051000000000, 0.0052418700000000 ] - [ -0.0255057300000000, -0.0052434300000000, 0.0091867000000000 ] - [ 0.0030912000000000, 0.0009666400000000, 0.0004453700000000 ] - [ 0.0029043900000000, -0.0046692800000000, -0.0031722900000000 ] - [ -0.0056244700000000, 0.0009931700000000, -0.0038627200000000 ] - [ 0.0026064000000000, 0.0008903800000000, 0.0008009200000000 ] - [ -0.0036349100000000, -0.0035863200000000, 0.0015079400000000 ] - [ 0.0010515000000000, 0.0017138600000000, 0.0003069500000000 ] - [ 0.0033710600000000, -0.0016423300000000, 0.0008440600000000 ] - [ -0.0026109100000000, -0.0033240000000000, -0.0016428100000000 ] - [ -0.0004062300000000, 0.0002784500000000, -0.0001758500000000 ] - [ 0.0026561000000000, -0.0009470100000000, -0.0004158600000000 ] - [ 0.0003253300000000, 0.0009023600000000, -0.0000382500000000 ] - [ -0.0030503200000000, -0.0016043000000000, -0.0014683400000000 ] - [ 0.0031025000000000, -0.0005647100000000, -0.0008228300000000 ] - [ 0.0008036100000000, 0.0008823400000000, -0.0001929500000000 ] - [ -0.0037767400000000, -0.0012041100000000, 0.0018175600000000 ] - [ 0.0025391900000000, 0.0000955000000000, 0.0003262600000000 ] - [ -0.0104228700000000, 0.0019427500000000, -0.0007592600000000 ] - [ 0.0081086400000000, 0.0009837200000000, -0.0119995800000000 ] - [ 0.0059137100000000, -0.0002238800000000, -0.0010323500000000 ] - [ -0.0284250900000000, 0.0141375900000000, 0.0152970500000000 ] - [ 0.0101780200000000, 0.0023388300000000, 0.0102038000000000 ] - [ 0.0083527900000000, 0.0009748700000000, -0.0000119300000000 ] - [ 0.0090924900000000, 0.0038459500000000, 0.0100756200000000 ] - [ -0.0135404500000000, -0.0019826800000000, -0.0014950400000000 ] - [ 0.0082444400000000, -0.0005952400000000, 0.0007319800000000 ] - [ 0.0066969600000000, 0.0077282800000000, -0.0065640500000000 ] - [ -0.0103112600000000, -0.0003478600000000, -0.0058378200000000 ] - [ 0.0057494400000000, -0.0016342900000000, 0.0008171500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003345500000000, 0.0043189500000000, 0.0024235900000000 ] - [ -0.0038413400000000, 0.0049254600000000, 0.0027078900000000 ] - [ -0.0003314300000000, 0.0023199800000000, 0.0013201800000000 ] - [ 0.0000532400000000, 0.0032576600000000, 0.0003107000000000 ] - [ -0.0004698300000000, 0.0024392500000000, 0.0010069800000000 ] - [ -0.0002657400000000, 0.0021365700000000, 0.0010974300000000 ] - [ -0.0018107200000000, -0.0023336200000000, -0.0029001500000000 ] - [ 0.0025250600000000, -0.0001235700000000, -0.0016795200000000 ] - [ -0.0002759100000000, -0.0020319100000000, -0.0012820000000000 ] - [ 0.0000229700000000, -0.0006146100000000, 0.0000803800000000 ] - [ 0.0017066400000000, -0.0004656000000000, 0.0003226300000000 ] - [ -0.0001002500000000, -0.0017880100000000, -0.0010022800000000 ] - [ -0.0046473400000000, 0.0245335900000000, -0.0014315100000000 ] - [ 0.0001710500000000, -0.0014381600000000, 0.0006460800000000 ] - [ -0.0018137400000000, -0.0007561400000000, 0.0003970500000000 ] - [ -0.0000347500000000, -0.0006006300000000, 0.0010646300000000 ] - [ -0.0000121000000000, -0.0018866400000000, 0.0012336200000000 ] - [ -0.0005995900000000, -0.0014732200000000, 0.0010115800000000 ] - [ 0.0006140500000000, 0.0025034700000000, -0.0010903700000000 ] - [ 0.0005537200000000, 0.0037274600000000, 0.0001463800000000 ] - [ -0.0006108700000000, 0.0016422300000000, -0.0007628200000000 ] - [ 0.0019285500000000, 0.0037974500000000, -0.0018944900000000 ] - [ 0.0006405800000000, 0.0046865800000000, -0.0030206400000000 ] - [ -0.0002952400000000, 0.0020633400000000, -0.0011868600000000 ] - [ 0.0020078300000000, -0.0020113500000000, -0.0008695800000000 ] - [ -0.0212401300000000, 0.0170395000000000, 0.0112363900000000 ] - [ -0.0007911200000000, -0.0013733100000000, -0.0007572100000000 ] - [ 0.0009320400000000, -0.0023892600000000, -0.0016211500000000 ] - [ -0.0003540100000000, -0.0013532800000000, -0.0017503500000000 ] - [ -0.0006083700000000, -0.0015263900000000, -0.0008654800000000 ] - [ -0.0017871300000000, 0.0026342200000000, -0.0119252200000000 ] - [ -0.0007322400000000, 0.0008736700000000, 0.0007891600000000 ] - [ -0.0009776600000000, 0.0010792400000000, 0.0006908000000000 ] - [ 0.0006001900000000, 0.0050238400000000, 0.0113384800000000 ] - [ -0.0000263000000000, 0.0012304800000000, 0.0012160300000000 ] - [ -0.0021328800000000, 0.0009734300000000, 0.0009877100000000 ] - [ 0.0008324000000000, 0.0008459700000000, -0.0003123700000000 ] - [ 0.0015585900000000, 0.0003248300000000, -0.0006848200000000 ] - [ -0.0001777500000000, 0.0017448500000000, -0.0010126400000000 ] - [ -0.0072725300000000, 0.0053547800000000, 0.0018011700000000 ] - [ 0.0187646900000000, 0.0030107300000000, 0.0077216000000000 ] - [ -0.0002109500000000, 0.0016463000000000, -0.0012314400000000 ] - [ 0.0059331700000000, 0.0131268500000000, -0.0008773700000000 ] - [ -0.0030202700000000, -0.0022866100000000, 0.0010932000000000 ] - [ 0.0004198300000000, -0.0014733300000000, 0.0010004800000000 ] - [ 0.0006047000000000, -0.0009047100000000, 0.0017475500000000 ] - [ -0.0005715500000000, -0.0020256400000000, 0.0015523800000000 ] - [ -0.0005520900000000, -0.0021973200000000, 0.0014861300000000 ] - [ 0.0013603800000000, -0.1424725500000000, -0.0106788800000000 ] - [ -0.0002615400000000, -0.0008099400000000, -0.0011293200000000 ] - [ -0.0003012800000000, -0.0008138400000000, -0.0009474600000000 ] - [ 0.0008220500000000, -0.0023097200000000, -0.0006142200000000 ] - [ -0.0007472500000000, 0.0002716400000000, 0.0000486800000000 ] - [ -0.0015661600000000, 0.0002669800000000, 0.0007053400000000 ] - [ 0.0013634700000000, -0.0020404300000000, 0.0019737300000000 ] - [ -0.0002294600000000, -0.0020380100000000, 0.0016941900000000 ] - [ -0.0006478300000000, -0.0009650100000000, 0.0005646500000000 ] - [ 0.0080537600000000, -0.0004180900000000, -0.0020034000000000 ] - [ -0.0155336000000000, -0.0004467200000000, -0.0101261600000000 ] - [ -0.0010304800000000, -0.0012909200000000, -0.0001277200000000 ] - [ 0.0079462700000000, -0.0011661200000000, 0.0152472700000000 ] - [ -0.0015189200000000, -0.0020463300000000, -0.0007815100000000 ] - [ 0.0001301000000000, -0.0010437400000000, -0.0003343400000000 ] - [ 0.0017234000000000, -0.0011447400000000, -0.0100095700000000 ] - [ -0.0007966100000000, -0.0020538900000000, -0.0016669500000000 ] - [ -0.0004740500000000, -0.0010419000000000, -0.0012277500000000 ] - [ -0.0009355300000000, -0.0025296700000000, -0.0002700900000000 ] - [ -0.0018577300000000, -0.0095560700000000, 0.0026459200000000 ] - [ -0.0009570000000000, -0.0003735200000000, 0.0013513800000000 ] - [ -0.0075803200000000, 0.0000147400000000, 0.0095329300000000 ] - [ 0.0001887900000000, -0.0019251200000000, 0.0008055600000000 ] - [ -0.0005665200000000, -0.0000497800000000, 0.0011616600000000 ] - [ -0.0003222600000000, 0.0001694100000000, 0.0007702700000000 ] - [ 0.0002377900000000, 0.0004184000000000, 0.0008462300000000 ] - [ -0.0005765300000000, 0.0001694000000000, 0.0012008000000000 ] - [ -0.0015864300000000, 0.0015008300000000, 0.0019947200000000 ] - [ 0.0009614200000000, 0.0013180900000000, 0.0006494400000000 ] - [ -0.0003399200000000, -0.0001295600000000, 0.0009915300000000 ] - [ 0.0013719100000000, 0.0054297300000000, 0.0002211000000000 ] - [ -0.0000481200000000, 0.0016544700000000, -0.0009228200000000 ] - [ -0.0003277900000000, 0.0009560100000000, -0.0008367900000000 ] - [ 0.0008787400000000, 0.0019972600000000, 0.0000066800000000 ] - [ 0.0001548600000000, 0.0012798200000000, -0.0003254400000000 ] - [ -0.0003619500000000, 0.0006601100000000, -0.0009495900000000 ] - [ -0.0008798500000000, 0.0034384400000000, -0.0003057600000000 ] - [ 0.0000352300000000, 0.0034178100000000, 0.0006881100000000 ] - [ -0.0007262300000000, 0.0012343900000000, 0.0002412400000000 ] - [ -0.0000752500000000, 0.0014059200000000, 0.0006259400000000 ] - [ 0.0001159600000000, 0.0014035800000000, 0.0008402200000000 ] - [ -0.0003567200000000, 0.0008756600000000, 0.0005608600000000 ] - [ 0.0016769200000000, 0.0018278700000000, -0.0028237900000000 ] - [ 0.0002671900000000, -0.0000091000000000, -0.0011314600000000 ] - [ -0.0006222100000000, -0.0001034800000000, -0.0006936800000000 ] - [ 0.0005569100000000, 0.0018223200000000, -0.0003120000000000 ] - [ 0.0001125900000000, -0.0001024600000000, -0.0007753000000000 ] - [ -0.0004538800000000, -0.0000124600000000, -0.0004112300000000 ] - [ -0.0043525700000000, -0.0053386100000000, -0.0020363800000000 ] - [ 0.0039632700000000, -0.0060208600000000, 0.0037334500000000 ] - [ 0.0004781500000000, -0.0004865800000000, 0.0000149300000000 ] - [ -0.0012018800000000, -0.0007944600000000, -0.0000505800000000 ] - [ 0.0006410700000000, -0.0005928500000000, -0.0003347800000000 ] - [ 0.0005396000000000, 0.0000444000000000, -0.0000537600000000 ] - [ 0.0013458300000000, -0.0000753400000000, 0.0011718500000000 ] - [ -0.0024938900000000, -0.0012671400000000, 0.0013478500000000 ] - [ 0.0002509500000000, 0.0000425000000000, -0.0000486600000000 ] - [ 0.0026812600000000, -0.0025561500000000, -0.0013453500000000 ] - [ -0.0039985000000000, -0.0054069200000000, -0.0038089200000000 ] - [ -0.0002032200000000, -0.0002548800000000, -0.0000810400000000 ] - [ -0.0037966600000000, -0.0027481400000000, -0.0020227300000000 ] - [ 0.0042414900000000, 0.0006762400000000, -0.0065621300000000 ] - [ 0.0006444300000000, -0.0002822000000000, -0.0004270400000000 ] - [ -0.0042970900000000, -0.0020124500000000, 0.0054583200000000 ] - [ 0.0025141000000000, -0.0031822500000000, 0.0028924000000000 ] - [ 0.0003396700000000, -0.0001899000000000, 0.0004044100000000 ] - [ 0.0038883200000000, 0.0015666200000000, 0.0021386400000000 ] - [ 0.0070269000000000, 0.0305517100000000, -0.0071371000000000 ] - [ 0.0002312100000000, 0.0009064300000000, 0.0003874000000000 ] - [ 0.0016065200000000, -0.0015080400000000, -0.0011365000000000 ] - [ -0.0031832900000000, 0.0016721700000000, -0.0030003700000000 ] - [ 0.0002129900000000, 0.0005658500000000, -0.0003801200000000 ] - [ 0.0065569300000000, -0.0128900600000000, 0.0056761600000000 ] - [ -0.0015749400000000, -0.0037403000000000, 0.0010095900000000 ] - [ 0.0017395300000000, -0.0015003000000000, 0.0003274200000000 ] - [ -0.0000174100000000, -0.0038065100000000, -0.0009645400000000 ] - [ -0.0009959800000000, -0.0021024100000000, -0.0008942600000000 ] - [ 0.0011355200000000, -0.0009406400000000, -0.0003447300000000 ] - [ 0.0009034600000000, -0.0011651400000000, 0.0008079600000000 ] - [ -0.0022420500000000, -0.0056111500000000, -0.0010612100000000 ] - [ 0.0018601900000000, -0.0018537800000000, -0.0008301000000000 ] - [ 0.0005127300000000, -0.0024436300000000, -0.0000508800000000 ] - [ -0.0016839200000000, -0.0055421000000000, 0.0005814000000000 ] - [ 0.0006735800000000, -0.0008176500000000, 0.0001750100000000 ] - [ -0.0015500600000000, 0.0138315800000000, 0.0011085900000000 ] - [ 0.0010945200000000, 0.0038195000000000, -0.0020092000000000 ] - [ 0.0017512800000000, 0.0014832200000000, -0.0009533400000000 ] - [ 0.0062641300000000, 0.0195888000000000, -0.0075010900000000 ] - [ -0.0021085000000000, 0.0148861200000000, -0.0003385100000000 ] - [ 0.0020956900000000, 0.0020806200000000, 0.0007333300000000 ] - [ -0.0029763400000000, 0.0024042300000000, -0.0020278200000000 ] - [ 0.0029677800000000, 0.0323518700000000, 0.0030562100000000 ] - [ 0.0035700500000000, 0.0015502700000000, 0.0003297600000000 ] - [ 0.0015497000000000, 0.0041558600000000, -0.0015679600000000 ] - [ 0.0008447200000000, 0.0021260400000000, 0.0016485700000000 ] - [ 0.0016344800000000, -0.0000206900000000, -0.0002692900000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001030500000000, -0.0008327500000000, -0.0003899100000000 ] - [ 0.0041435600000000, -0.0014250300000000, -0.0006736400000000 ] - [ 0.0005908100000000, 0.0011703800000000, 0.0007580400000000 ] - [ 0.0001720800000000, 0.0002515700000000, 0.0017725000000000 ] - [ 0.0007337800000000, 0.0010860200000000, 0.0010488700000000 ] - [ 0.0005290200000000, 0.0013534200000000, 0.0009819100000000 ] - [ 0.0020415000000000, -0.0012309300000000, 0.0008383200000000 ] - [ -0.0022613700000000, -0.0033616000000000, -0.0003999000000000 ] - [ 0.0005142400000000, -0.0014711600000000, -0.0007785400000000 ] - [ 0.0002268500000000, -0.0029407300000000, -0.0021463400000000 ] - [ -0.0014587400000000, -0.0030314000000000, -0.0024077400000000 ] - [ 0.0003439100000000, -0.0017130800000000, -0.0010582600000000 ] - [ 0.0043819100000000, -0.0276798100000000, 0.0034963400000000 ] - [ -0.0004287800000000, -0.0020521500000000, 0.0014348800000000 ] - [ 0.0015680100000000, -0.0027854100000000, 0.0016625200000000 ] - [ -0.0002039800000000, -0.0029083500000000, 0.0009896700000000 ] - [ -0.0002465100000000, -0.0016003200000000, 0.0008444600000000 ] - [ 0.0003457000000000, -0.0020618000000000, 0.0010388100000000 ] - [ -0.0008786500000000, 0.0009861300000000, -0.0009922500000000 ] - [ -0.0008123900000000, -0.0002111800000000, -0.0022206400000000 ] - [ 0.0003859400000000, 0.0018687000000000, -0.0013041900000000 ] - [ -0.0022197900000000, -0.0003171800000000, -0.0001676100000000 ] - [ -0.0008975200000000, -0.0011782700000000, 0.0009954500000000 ] - [ 0.0000674600000000, 0.0014433800000000, -0.0008749300000000 ] - [ -0.0023057600000000, -0.0014421900000000, -0.0011988700000000 ] - [ 0.0212800100000000, -0.0209180400000000, -0.0134287600000000 ] - [ 0.0005653400000000, -0.0021288900000000, -0.0013067100000000 ] - [ -0.0011990700000000, -0.0010662000000000, -0.0004624800000000 ] - [ 0.0000826600000000, -0.0021614600000000, -0.0002937800000000 ] - [ 0.0003797000000000, -0.0019737700000000, -0.0011972400000000 ] - [ 0.0015318800000000, 0.0008499400000000, 0.0139311800000000 ] - [ 0.0004712400000000, 0.0026091600000000, 0.0012871200000000 ] - [ 0.0007223000000000, 0.0024410400000000, 0.0013635300000000 ] - [ -0.0008715300000000, -0.0015795900000000, -0.0092188300000000 ] - [ -0.0002245000000000, 0.0022624500000000, 0.0008720200000000 ] - [ 0.0018938200000000, 0.0025489500000000, 0.0010685200000000 ] - [ -0.0005865800000000, 0.0026788400000000, -0.0017540900000000 ] - [ -0.0013029200000000, 0.0031598100000000, -0.0013956400000000 ] - [ 0.0004226900000000, 0.0017493800000000, -0.0010463000000000 ] - [ 0.0075283400000000, -0.0018817000000000, -0.0037986000000000 ] - [ -0.0184475900000000, 0.0004661700000000, -0.0097709800000000 ] - [ 0.0004595700000000, 0.0018473900000000, -0.0008238100000000 ] - [ -0.0058358300000000, -0.0170402900000000, 0.0029952400000000 ] - [ 0.0033144300000000, -0.0012272200000000, 0.0009595400000000 ] - [ -0.0001391000000000, -0.0019893700000000, 0.0010751200000000 ] - [ -0.0003701900000000, -0.0025866200000000, 0.0002910500000000 ] - [ 0.0008362000000000, -0.0014949300000000, 0.0004933900000000 ] - [ 0.0008442500000000, -0.0012613600000000, 0.0005700900000000 ] - [ -0.0048417700000000, 0.1440677100000000, 0.0120185000000000 ] - [ 0.0002359700000000, 0.0019003800000000, -0.0003489800000000 ] - [ 0.0003135600000000, 0.0018956500000000, -0.0005208300000000 ] - [ -0.0008815300000000, 0.0034025500000000, -0.0008702600000000 ] - [ 0.0007112900000000, 0.0008139000000000, -0.0015213200000000 ] - [ 0.0015889700000000, 0.0008088600000000, -0.0021990400000000 ] - [ -0.0014264800000000, 0.0009645200000000, -0.0005330700000000 ] - [ 0.0002095900000000, 0.0009670300000000, -0.0002558200000000 ] - [ 0.0006048700000000, -0.0001160100000000, 0.0009048000000000 ] - [ -0.0080606700000000, -0.0005607900000000, 0.0035177800000000 ] - [ 0.0157044400000000, -0.0005888200000000, 0.0117301000000000 ] - [ 0.0009927300000000, 0.0002141300000000, 0.0016026700000000 ] - [ -0.0080036200000000, 0.0001418000000000, -0.0169093400000000 ] - [ 0.0015364100000000, 0.0009792000000000, -0.0006880700000000 ] - [ -0.0000745700000000, -0.0000395100000000, -0.0011238500000000 ] - [ -0.0017160700000000, 0.0001627900000000, 0.0085134400000000 ] - [ 0.0008216900000000, 0.0009717100000000, 0.0002221800000000 ] - [ 0.0005345800000000, -0.0000379200000000, -0.0002368400000000 ] - [ 0.0009673500000000, 0.0036201400000000, 0.0017925300000000 ] - [ 0.0018331000000000, 0.0107277900000000, -0.0011166400000000 ] - [ 0.0010292600000000, 0.0014676800000000, 0.0001017200000000 ] - [ 0.0077578100000000, 0.0012219600000000, -0.0082648800000000 ] - [ -0.0001782700000000, 0.0030146100000000, 0.0006816900000000 ] - [ 0.0006358300000000, 0.0011385100000000, 0.0002948700000000 ] - [ 0.0003264000000000, -0.0012569400000000, 0.0006934200000000 ] - [ -0.0001973300000000, -0.0015112100000000, 0.0006173900000000 ] - [ 0.0006396800000000, -0.0012624400000000, 0.0002561700000000 ] - [ 0.0015793400000000, -0.0025910200000000, -0.0005149000000000 ] - [ -0.0009232100000000, -0.0024133700000000, 0.0008259500000000 ] - [ 0.0004006500000000, -0.0009611100000000, 0.0004696900000000 ] - [ -0.0013185700000000, -0.0043734800000000, -0.0016761300000000 ] - [ 0.0000631300000000, -0.0005733100000000, -0.0005360300000000 ] - [ 0.0003622300000000, 0.0001278100000000, -0.0006363300000000 ] - [ -0.0008357600000000, -0.0009203100000000, -0.0014822300000000 ] - [ -0.0001460000000000, -0.0001999800000000, -0.0011422600000000 ] - [ 0.0003988600000000, 0.0004248000000000, -0.0005246000000000 ] - [ 0.0008280500000000, -0.0023460200000000, 0.0017679500000000 ] - [ -0.0000374700000000, -0.0023666600000000, 0.0007766900000000 ] - [ 0.0006766300000000, -0.0001541200000000, 0.0012281000000000 ] - [ 0.0000358700000000, -0.0003227200000000, 0.0008494900000000 ] - [ -0.0001162800000000, -0.0003252200000000, 0.0006338100000000 ] - [ 0.0003052900000000, 0.0002081200000000, 0.0009059000000000 ] - [ -0.0017350800000000, -0.0029220400000000, 0.0013542600000000 ] - [ -0.0002976600000000, -0.0010761200000000, -0.0003460700000000 ] - [ 0.0006141900000000, -0.0009829100000000, -0.0007732800000000 ] - [ -0.0006238100000000, -0.0029271000000000, -0.0011391700000000 ] - [ -0.0001461800000000, -0.0009821200000000, -0.0006992700000000 ] - [ 0.0004470100000000, -0.0010791400000000, -0.0010546900000000 ] - [ 0.0044310200000000, 0.0057230300000000, 0.0020770900000000 ] - [ -0.0040227200000000, 0.0064262400000000, -0.0037762900000000 ] - [ -0.0004833800000000, 0.0008208000000000, -0.0000193300000000 ] - [ 0.0012131300000000, 0.0011203500000000, 0.0000538400000000 ] - [ -0.0006476400000000, 0.0009308600000000, 0.0003419200000000 ] - [ -0.0005456400000000, 0.0002875200000000, 0.0000508500000000 ] - [ -0.0013422600000000, -0.0002599300000000, -0.0011653600000000 ] - [ 0.0025092000000000, 0.0009392900000000, -0.0013410200000000 ] - [ -0.0002627600000000, -0.0003797200000000, 0.0000491100000000 ] - [ -0.0026981800000000, 0.0022524800000000, 0.0013504000000000 ] - [ 0.0040073800000000, 0.0051069000000000, 0.0037865700000000 ] - [ 0.0001896700000000, -0.0000850100000000, 0.0000803200000000 ] - [ 0.0038311200000000, 0.0024112600000000, 0.0020469800000000 ] - [ -0.0042924800000000, -0.0010405300000000, 0.0066329000000000 ] - [ -0.0006548300000000, -0.0000720500000000, 0.0004343900000000 ] - [ 0.0043588300000000, 0.0015902400000000, -0.0055416400000000 ] - [ -0.0025315100000000, 0.0028558100000000, -0.0029253100000000 ] - [ -0.0003521300000000, -0.0001658900000000, -0.0004056600000000 ] - [ -0.0039113800000000, -0.0011956700000000, -0.0021675900000000 ] - [ -0.0054088100000000, -0.0284888300000000, 0.0058359100000000 ] - [ -0.0002455100000000, -0.0005621300000000, -0.0003883300000000 ] - [ -0.0016314600000000, 0.0019025300000000, 0.0011647700000000 ] - [ 0.0032124200000000, -0.0013261700000000, 0.0030346100000000 ] - [ -0.0002273100000000, -0.0002170500000000, 0.0003770400000000 ] - [ -0.0064951400000000, 0.0119390200000000, -0.0056517600000000 ] - [ 0.0015569400000000, 0.0028014000000000, -0.0010187200000000 ] - [ -0.0017488400000000, 0.0005584600000000, -0.0003328400000000 ] - [ 0.0000345900000000, 0.0028838800000000, 0.0009745100000000 ] - [ 0.0009938200000000, 0.0011590200000000, 0.0009014500000000 ] - [ -0.0011458200000000, -0.0000060500000000, 0.0003455900000000 ] - [ -0.0008912800000000, 0.0021190700000000, -0.0007949100000000 ] - [ 0.0022544600000000, 0.0066046900000000, 0.0010998100000000 ] - [ -0.0018905600000000, 0.0028225600000000, 0.0008406500000000 ] - [ -0.0004977900000000, 0.0034005300000000, 0.0000397700000000 ] - [ 0.0016842300000000, 0.0065372900000000, -0.0006275100000000 ] - [ -0.0006926100000000, 0.0017773200000000, -0.0001815900000000 ] - [ 0.0016264800000000, -0.0129280900000000, -0.0011150600000000 ] - [ -0.0010855300000000, -0.0028712900000000, 0.0020094200000000 ] - [ -0.0017847700000000, -0.0005170100000000, 0.0009661100000000 ] - [ -0.0062259200000000, -0.0189206600000000, 0.0074104100000000 ] - [ 0.0021160500000000, -0.0140124600000000, 0.0003055300000000 ] - [ -0.0021441300000000, -0.0011202900000000, -0.0007393200000000 ] - [ 0.0029118900000000, -0.0034216800000000, 0.0019498400000000 ] - [ -0.0015857200000000, -0.0351693000000000, -0.0042712500000000 ] - [ -0.0036185700000000, -0.0025274400000000, -0.0003275100000000 ] - [ -0.0016171100000000, -0.0052010500000000, 0.0016314300000000 ] - [ -0.0007650200000000, -0.0031093700000000, -0.0015654500000000 ] - [ -0.0016622200000000, -0.0009441200000000, 0.0002614600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005480800000000, 0.0034861000000000, 0.0017926800000000 ] - [ -0.0025153300000000, 0.0039021000000000, 0.0020853000000000 ] - [ -0.0000427800000000, 0.0016400700000000, 0.0012217900000000 ] - [ 0.0012299700000000, 0.0004150500000000, -0.0000034400000000 ] - [ 0.0000143000000000, 0.0019227700000000, 0.0008700800000000 ] - [ -0.0002735400000000, 0.0014481900000000, 0.0009603600000000 ] - [ 0.0009347600000000, -0.0012060300000000, -0.0025517400000000 ] - [ -0.0015650100000000, -0.0046279300000000, -0.0018160700000000 ] - [ -0.0008085000000000, -0.0022517100000000, -0.0014958800000000 ] - [ 0.0003953100000000, 0.0009902200000000, 0.0008635300000000 ] - [ 0.0027585500000000, -0.0000518100000000, 0.0002040900000000 ] - [ -0.0004099200000000, -0.0017711900000000, -0.0009608000000000 ] - [ 0.0015120400000000, -0.0033274900000000, -0.0031375400000000 ] - [ -0.0008105500000000, -0.0014645600000000, 0.0003614700000000 ] - [ -0.0021338100000000, -0.0000537000000000, -0.0001773100000000 ] - [ 0.0010521200000000, -0.0018674900000000, 0.0051914700000000 ] - [ -0.0001623900000000, -0.0021943500000000, 0.0015206300000000 ] - [ -0.0003282400000000, -0.0014067400000000, 0.0014063700000000 ] - [ 0.0001456000000000, 0.0016172400000000, -0.0005322200000000 ] - [ 0.0000552800000000, 0.0026630600000000, 0.0004115600000000 ] - [ -0.0011122200000000, 0.0011611700000000, -0.0005339300000000 ] - [ 0.0009234200000000, 0.0014874400000000, -0.0018226200000000 ] - [ 0.0005760100000000, 0.0031397200000000, -0.0027245500000000 ] - [ -0.0006762800000000, 0.0015853600000000, -0.0010475300000000 ] - [ 0.0025965600000000, -0.0027723800000000, -0.0026414600000000 ] - [ -0.0133626500000000, 0.0075002700000000, 0.0103161700000000 ] - [ -0.0012424600000000, -0.0011715700000000, -0.0008760800000000 ] - [ -0.0005657700000000, -0.0038154100000000, -0.0000033300000000 ] - [ 0.0014599700000000, -0.0029824400000000, -0.0011718600000000 ] - [ -0.0013881900000000, -0.0013398700000000, -0.0005340700000000 ] - [ 0.0029938900000000, -0.0053239700000000, 0.0176735300000000 ] - [ -0.0022334400000000, 0.0000539500000000, 0.0008191200000000 ] - [ 0.0001681800000000, 0.0017703900000000, 0.0010552600000000 ] - [ 0.0072170900000000, 0.0168412200000000, 0.0169654100000000 ] - [ -0.0007296700000000, 0.0012028000000000, 0.0006696900000000 ] - [ -0.0034671300000000, 0.0013692600000000, 0.0006171400000000 ] - [ 0.0034705200000000, -0.0000390100000000, 0.0026599700000000 ] - [ 0.0009902700000000, 0.0003960800000000, 0.0015260900000000 ] - [ -0.0009384700000000, 0.0021508200000000, -0.0010400300000000 ] - [ -0.0102974400000000, 0.0114473300000000, -0.0076371600000000 ] - [ 0.0041074000000000, 0.0026269700000000, -0.0046454200000000 ] - [ -0.0012296000000000, 0.0024482500000000, -0.0016886000000000 ] - [ 0.0063841000000000, 0.0034969400000000, -0.0049244400000000 ] - [ -0.0013361100000000, -0.0021008900000000, 0.0005081600000000 ] - [ -0.0006221800000000, -0.0024595500000000, 0.0004563800000000 ] - [ -0.0000858500000000, -0.0024491600000000, 0.0050780900000000 ] - [ -0.0002948200000000, -0.0017776800000000, 0.0017790500000000 ] - [ -0.0025871800000000, -0.0036640800000000, 0.0030275600000000 ] - [ 0.0697386100000000, -0.0111297600000000, -0.1542981800000000 ] - [ -0.0006911600000000, 0.0003292400000000, -0.0016256100000000 ] - [ -0.0010777500000000, 0.0001497700000000, -0.0016317100000000 ] - [ -0.0008835300000000, 0.0006690200000000, 0.0050459000000000 ] - [ -0.0032570400000000, 0.0019922500000000, 0.0027562600000000 ] - [ -0.0032934100000000, 0.0013302000000000, 0.0027740600000000 ] - [ 0.0042855400000000, 0.0004329800000000, 0.0062487200000000 ] - [ 0.0025833000000000, 0.0007135300000000, 0.0062512400000000 ] - [ -0.0013240000000000, -0.0007145500000000, 0.0004651100000000 ] - [ -0.0110884000000000, -0.0115011700000000, -0.0061077400000000 ] - [ -0.0015617900000000, -0.0032724900000000, -0.0061011400000000 ] - [ -0.0019394500000000, -0.0014109400000000, -0.0007721900000000 ] - [ 0.0086339900000000, 0.0086185200000000, 0.0194352200000000 ] - [ -0.0034123600000000, 0.0003975000000000, -0.0014779800000000 ] - [ -0.0007311300000000, -0.0000452100000000, -0.0015083600000000 ] - [ 0.0062818200000000, -0.0167498900000000, 0.0196763500000000 ] - [ -0.0006587600000000, -0.0004859400000000, -0.0015007600000000 ] - [ -0.0024082500000000, -0.0009362300000000, -0.0015152900000000 ] - [ 0.0065699300000000, 0.0015740700000000, -0.0006783600000000 ] - [ -0.0263433000000000, -0.0013362200000000, 0.0207797400000000 ] - [ -0.0015348100000000, -0.0000859400000000, 0.0014489600000000 ] - [ -0.0197279400000000, -0.0084086400000000, 0.0252442600000000 ] - [ 0.0029496400000000, 0.0004821000000000, 0.0004870200000000 ] - [ -0.0016631100000000, 0.0001080700000000, 0.0019388200000000 ] - [ -0.0000811700000000, -0.0005007400000000, 0.0011750100000000 ] - [ -0.0000965000000000, -0.0004253400000000, 0.0015068400000000 ] - [ -0.0007077300000000, -0.0000673000000000, 0.0013212000000000 ] - [ 0.0005006500000000, 0.0007167700000000, -0.0000844600000000 ] - [ 0.0006447600000000, -0.0006367300000000, -0.0001842900000000 ] - [ -0.0005371400000000, -0.0002810300000000, 0.0009191200000000 ] - [ 0.0005002200000000, 0.0014891600000000, -0.0010716100000000 ] - [ -0.0006760100000000, 0.0003483600000000, -0.0014651200000000 ] - [ -0.0003790100000000, 0.0004402300000000, -0.0010686800000000 ] - [ 0.0011393700000000, 0.0012898700000000, 0.0005233500000000 ] - [ 0.0000315300000000, 0.0009518400000000, -0.0003768500000000 ] - [ -0.0001691100000000, 0.0003274800000000, -0.0006284400000000 ] - [ 0.0005557700000000, 0.0005785600000000, 0.0008301400000000 ] - [ 0.0000011900000000, 0.0015825000000000, 0.0008253900000000 ] - [ -0.0008043800000000, 0.0010374100000000, 0.0002156100000000 ] - [ 0.0001356300000000, 0.0004396800000000, 0.0008732600000000 ] - [ 0.0002148400000000, 0.0006542700000000, 0.0008709900000000 ] - [ -0.0005218700000000, 0.0007162600000000, 0.0004873200000000 ] - [ 0.0007885800000000, -0.0009548600000000, -0.0012496000000000 ] - [ -0.0006283900000000, -0.0008636100000000, -0.0004100500000000 ] - [ -0.0000963300000000, -0.0005043900000000, -0.0007237500000000 ] - [ 0.0008003000000000, 0.0015589800000000, -0.0012670000000000 ] - [ -0.0001559400000000, -0.0005836200000000, -0.0007298500000000 ] - [ -0.0004839500000000, -0.0001476200000000, -0.0004092000000000 ] - [ -0.0028666100000000, -0.0016784700000000, -0.0002519200000000 ] - [ 0.0025012200000000, -0.0033384900000000, 0.0024769300000000 ] - [ 0.0009315800000000, 0.0002679700000000, 0.0003242000000000 ] - [ -0.0011046500000000, 0.0014819400000000, -0.0007909200000000 ] - [ -0.0000534700000000, 0.0004696800000000, -0.0008641500000000 ] - [ 0.0011900400000000, 0.0008519500000000, 0.0001142200000000 ] - [ -0.0004925100000000, 0.0004318400000000, 0.0001438400000000 ] - [ 0.0008219300000000, 0.0036873200000000, -0.0023711000000000 ] - [ 0.0012649300000000, 0.0004879100000000, -0.0005320200000000 ] - [ 0.0030930300000000, -0.0050757900000000, -0.0013214100000000 ] - [ -0.0047044400000000, -0.0060087600000000, 0.0041454500000000 ] - [ 0.0009420100000000, -0.0002814000000000, 0.0001613800000000 ] - [ -0.0051700300000000, -0.0043647900000000, -0.0032625100000000 ] - [ 0.0029038800000000, -0.0002402200000000, -0.0050828500000000 ] - [ 0.0013799400000000, 0.0000096000000000, -0.0010102600000000 ] - [ -0.0018218200000000, 0.0059811800000000, 0.0044645700000000 ] - [ 0.0003304200000000, -0.0013517400000000, 0.0018854300000000 ] - [ 0.0015619200000000, 0.0005515300000000, 0.0003156400000000 ] - [ 0.0018122200000000, 0.0012278500000000, 0.0057548900000000 ] - [ -0.0057673300000000, 0.0011492900000000, 0.0185903700000000 ] - [ 0.0018630600000000, 0.0004020500000000, 0.0010788200000000 ] - [ 0.0029869800000000, -0.0051497000000000, -0.0044131200000000 ] - [ -0.0059092000000000, 0.0008407300000000, -0.0082876600000000 ] - [ 0.0012311100000000, 0.0007682400000000, -0.0005014300000000 ] - [ -0.0032599600000000, -0.0009955500000000, 0.0022812700000000 ] - [ 0.0016041600000000, 0.0006323100000000, 0.0018092300000000 ] - [ 0.0019355300000000, -0.0013702300000000, 0.0009329500000000 ] - [ -0.0014541700000000, -0.0036718200000000, -0.0030364900000000 ] - [ -0.0007999000000000, -0.0010939900000000, -0.0014941900000000 ] - [ 0.0014067000000000, -0.0009356100000000, -0.0006606300000000 ] - [ -0.0002433300000000, 0.0006192100000000, -0.0005774700000000 ] - [ -0.0012373600000000, -0.0017399500000000, -0.0022198400000000 ] - [ 0.0022505000000000, -0.0003850300000000, -0.0009786800000000 ] - [ 0.0003285300000000, 0.0005514500000000, 0.0004689800000000 ] - [ -0.0021622700000000, -0.0008119900000000, 0.0023542100000000 ] - [ 0.0012868200000000, 0.0001979700000000, 0.0006035700000000 ] - [ -0.0147798800000000, 0.0018965100000000, -0.0157079300000000 ] - [ 0.0088914100000000, 0.0003396300000000, -0.0121946300000000 ] - [ 0.0029792300000000, 0.0000461600000000, -0.0019232200000000 ] - [ -0.0204650300000000, 0.0179040400000000, 0.0454334100000000 ] - [ -0.0007195100000000, 0.0034185100000000, 0.0046605100000000 ] - [ 0.0053536000000000, 0.0010608900000000, 0.0011156500000000 ] - [ 0.0015295000000000, -0.0009304200000000, 0.0100990300000000 ] - [ 0.0080149900000000, -0.0083879300000000, 0.0079543800000000 ] - [ 0.0049131400000000, -0.0000717900000000, 0.0022588700000000 ] - [ 0.0071863100000000, 0.0086017900000000, -0.0087714700000000 ] - [ -0.0103804500000000, 0.0008838600000000, -0.0152955400000000 ] - [ 0.0031614300000000, -0.0014078800000000, -0.0011668800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003018200000000, 0.0000059500000000, 0.0002825800000000 ] - [ 0.0027450400000000, -0.0003557800000000, -0.0000161100000000 ] - [ 0.0003002500000000, 0.0018421100000000, 0.0008609000000000 ] - [ -0.0009788300000000, 0.0030696600000000, 0.0020495700000000 ] - [ 0.0002430100000000, 0.0016071000000000, 0.0011809200000000 ] - [ 0.0005356600000000, 0.0020284900000000, 0.0011144500000000 ] - [ -0.0006608100000000, -0.0022974800000000, 0.0004984100000000 ] - [ 0.0018221900000000, 0.0011341100000000, -0.0002491400000000 ] - [ 0.0010381100000000, -0.0012503200000000, -0.0005665400000000 ] - [ -0.0001436600000000, -0.0044934900000000, -0.0029083200000000 ] - [ -0.0024645500000000, -0.0034137700000000, -0.0022826800000000 ] - [ 0.0006392100000000, -0.0017312700000000, -0.0011023700000000 ] - [ -0.0016894500000000, -0.0003572600000000, 0.0051984400000000 ] - [ 0.0005359500000000, -0.0020222800000000, 0.0017200300000000 ] - [ 0.0018600900000000, -0.0034575800000000, 0.0022222900000000 ] - [ -0.0012848600000000, -0.0016078500000000, -0.0031041500000000 ] - [ -0.0000995200000000, -0.0012897200000000, 0.0005551400000000 ] - [ 0.0000620400000000, -0.0021113600000000, 0.0006455500000000 ] - [ -0.0004099800000000, 0.0018575900000000, -0.0015389600000000 ] - [ -0.0003103800000000, 0.0008653600000000, -0.0024524200000000 ] - [ 0.0008665800000000, 0.0023336300000000, -0.0015222700000000 ] - [ -0.0011727200000000, 0.0019968600000000, -0.0002624100000000 ] - [ -0.0008249400000000, 0.0004087400000000, 0.0006569500000000 ] - [ 0.0004341000000000, 0.0019135200000000, -0.0010131800000000 ] - [ -0.0028455700000000, -0.0007209500000000, 0.0005648200000000 ] - [ 0.0130097500000000, -0.0108995200000000, -0.0123838800000000 ] - [ 0.0009937000000000, -0.0023230500000000, -0.0011798300000000 ] - [ 0.0003026200000000, 0.0003152200000000, -0.0020781200000000 ] - [ -0.0016925400000000, -0.0005605200000000, -0.0008991600000000 ] - [ 0.0011411200000000, -0.0021568100000000, -0.0015261800000000 ] - [ -0.0032175800000000, 0.0089709900000000, -0.0157627100000000 ] - [ 0.0019711200000000, 0.0034306300000000, 0.0012654700000000 ] - [ -0.0004259500000000, 0.0017576400000000, 0.0009997300000000 ] - [ -0.0073274500000000, -0.0130264200000000, -0.0145962900000000 ] - [ 0.0004323000000000, 0.0022557400000000, 0.0013836200000000 ] - [ 0.0031774700000000, 0.0021509400000000, 0.0014286100000000 ] - [ -0.0032138300000000, 0.0035679800000000, -0.0046941400000000 ] - [ -0.0007220600000000, 0.0030852700000000, -0.0035974100000000 ] - [ 0.0011683700000000, 0.0013532100000000, -0.0010217600000000 ] - [ 0.0104744600000000, -0.0078252400000000, 0.0054388200000000 ] - [ -0.0040260200000000, 0.0007956400000000, 0.0024339700000000 ] - [ 0.0014467100000000, 0.0010614000000000, -0.0003781500000000 ] - [ -0.0061377900000000, -0.0069417300000000, 0.0069887300000000 ] - [ 0.0015629800000000, -0.0014277100000000, 0.0015526800000000 ] - [ 0.0008778800000000, -0.0010277400000000, 0.0016201900000000 ] - [ 0.0003246300000000, -0.0010711000000000, -0.0030118600000000 ] - [ 0.0005521900000000, -0.0017493000000000, 0.0002750200000000 ] - [ 0.0028215500000000, 0.0001627000000000, -0.0009333700000000 ] - [ -0.0677843200000000, 0.0115728600000000, 0.1502983300000000 ] - [ 0.0006293300000000, 0.0007559400000000, 0.0001698000000000 ] - [ 0.0010625900000000, 0.0009298600000000, 0.0001637900000000 ] - [ 0.0008357500000000, 0.0004122900000000, -0.0064900700000000 ] - [ 0.0032243300000000, -0.0009123000000000, -0.0042336100000000 ] - [ 0.0032579400000000, -0.0002397100000000, -0.0042161400000000 ] - [ -0.0043157100000000, -0.0015177000000000, -0.0047533100000000 ] - [ -0.0025697700000000, -0.0017940700000000, -0.0047508200000000 ] - [ 0.0012558600000000, -0.0003748000000000, 0.0009928900000000 ] - [ 0.0110089500000000, 0.0103523200000000, 0.0074810400000000 ] - [ 0.0014339300000000, 0.0022479100000000, 0.0074847800000000 ] - [ 0.0018651300000000, 0.0003192500000000, 0.0022241200000000 ] - [ -0.0086173500000000, -0.0099086100000000, -0.0211095900000000 ] - [ 0.0034177000000000, -0.0014927400000000, 0.0000204900000000 ] - [ 0.0007602600000000, -0.0010365900000000, 0.0000322200000000 ] - [ -0.0061623900000000, 0.0154066600000000, -0.0208703700000000 ] - [ 0.0006320900000000, -0.0005798600000000, -0.0000031400000000 ] - [ 0.0024182500000000, -0.0001473200000000, 0.0000258800000000 ] - [ -0.0065898400000000, -0.0004887900000000, 0.0021584400000000 ] - [ 0.0266224100000000, 0.0024241000000000, -0.0193557600000000 ] - [ 0.0015758600000000, 0.0011636800000000, 0.0000273600000000 ] - [ 0.0195278900000000, 0.0093925500000000, -0.0234663600000000 ] - [ -0.0028673400000000, 0.0006053300000000, 0.0009442300000000 ] - [ 0.0017028400000000, 0.0009752800000000, -0.0004683000000000 ] - [ 0.0000814300000000, -0.0005781300000000, 0.0003004900000000 ] - [ 0.0001358900000000, -0.0006543200000000, -0.0000296700000000 ] - [ 0.0007561500000000, -0.0010121500000000, 0.0001478500000000 ] - [ -0.0004817800000000, -0.0017922400000000, 0.0015372100000000 ] - [ -0.0006064300000000, -0.0004601700000000, 0.0016502800000000 ] - [ 0.0005865200000000, -0.0008029500000000, 0.0005475400000000 ] - [ -0.0004416500000000, -0.0004064000000000, -0.0003965200000000 ] - [ 0.0006754000000000, 0.0007362800000000, -0.0000065000000000 ] - [ 0.0004118600000000, 0.0006412100000000, -0.0004067100000000 ] - [ -0.0010738800000000, -0.0001986100000000, -0.0019752400000000 ] - [ -0.0000235700000000, 0.0001357700000000, -0.0010858600000000 ] - [ 0.0002030300000000, 0.0007527100000000, -0.0008432100000000 ] - [ -0.0005807600000000, 0.0004907000000000, 0.0006541300000000 ] - [ -0.0000027200000000, -0.0004894400000000, 0.0006492900000000 ] - [ 0.0007409600000000, 0.0000513100000000, 0.0012457000000000 ] - [ -0.0001743200000000, 0.0006463600000000, 0.0005959100000000 ] - [ -0.0002195200000000, 0.0004314700000000, 0.0005932100000000 ] - [ 0.0004599300000000, 0.0003717400000000, 0.0009731400000000 ] - [ -0.0008457900000000, -0.0001278400000000, -0.0001990300000000 ] - [ 0.0005857900000000, -0.0002201800000000, -0.0010582600000000 ] - [ 0.0000898300000000, -0.0005807600000000, -0.0007409700000000 ] - [ -0.0008422600000000, -0.0026185100000000, -0.0002161700000000 ] - [ 0.0001195300000000, -0.0005041700000000, -0.0007470900000000 ] - [ 0.0004740600000000, -0.0009329900000000, -0.0010572400000000 ] - [ 0.0028352300000000, 0.0020111000000000, 0.0002417000000000 ] - [ -0.0024828400000000, 0.0036480200000000, -0.0024519200000000 ] - [ -0.0009173500000000, 0.0000765400000000, -0.0003231200000000 ] - [ 0.0010944700000000, -0.0011206900000000, 0.0007932800000000 ] - [ 0.0000498200000000, -0.0001207500000000, 0.0008616300000000 ] - [ -0.0011733500000000, -0.0005011900000000, -0.0001117900000000 ] - [ 0.0004953400000000, -0.0007806000000000, -0.0001538100000000 ] - [ -0.0008311000000000, -0.0040353300000000, 0.0023482000000000 ] - [ -0.0012642000000000, -0.0008352800000000, 0.0005293400000000 ] - [ -0.0030657200000000, 0.0046883300000000, 0.0013162000000000 ] - [ 0.0046480000000000, 0.0056482900000000, -0.0040395000000000 ] - [ -0.0009270300000000, -0.0000531200000000, -0.0001644900000000 ] - [ 0.0051725300000000, 0.0040383400000000, 0.0032434900000000 ] - [ -0.0028897300000000, -0.0000902500000000, 0.0050382200000000 ] - [ -0.0013612500000000, -0.0003514300000000, 0.0009996000000000 ] - [ 0.0017964900000000, -0.0063062700000000, -0.0044089400000000 ] - [ -0.0003158100000000, 0.0009632000000000, -0.0018467400000000 ] - [ -0.0015432700000000, -0.0008889000000000, -0.0003124000000000 ] - [ -0.0018003000000000, -0.0008790000000000, -0.0057104800000000 ] - [ 0.0063642700000000, -0.0000044800000000, -0.0189182900000000 ] - [ -0.0018520500000000, -0.0000529800000000, -0.0010861700000000 ] - [ -0.0029492100000000, 0.0054575600000000, 0.0043875400000000 ] - [ 0.0058312500000000, -0.0004805600000000, 0.0082258100000000 ] - [ -0.0012221800000000, -0.0004240200000000, 0.0005162800000000 ] - [ 0.0031767700000000, 0.0000805500000000, -0.0023113700000000 ] - [ -0.0015893700000000, -0.0015788600000000, -0.0018159400000000 ] - [ -0.0019179000000000, 0.0004055900000000, -0.0009287300000000 ] - [ 0.0014533400000000, 0.0026580100000000, 0.0030233000000000 ] - [ 0.0007875100000000, 0.0001261100000000, 0.0014959300000000 ] - [ -0.0013879600000000, -0.0000257300000000, 0.0006590100000000 ] - [ 0.0002445800000000, 0.0003456200000000, 0.0005620400000000 ] - [ 0.0012193100000000, 0.0026909200000000, 0.0021957200000000 ] - [ -0.0022317600000000, 0.0013321100000000, 0.0009669600000000 ] - [ -0.0003298000000000, 0.0004127100000000, -0.0004549400000000 ] - [ 0.0021370300000000, 0.0017588000000000, -0.0023142100000000 ] - [ -0.0012733600000000, 0.0007564700000000, -0.0005977400000000 ] - [ 0.0147910600000000, -0.0009570900000000, 0.0156514200000000 ] - [ -0.0088981000000000, 0.0006332000000000, 0.0121652100000000 ] - [ -0.0029503300000000, 0.0009108300000000, 0.0019048000000000 ] - [ 0.0177733200000000, -0.0163635600000000, -0.0425772900000000 ] - [ 0.0008455600000000, -0.0024703200000000, -0.0045342200000000 ] - [ -0.0053012100000000, -0.0001022600000000, -0.0011043300000000 ] - [ -0.0015337600000000, -0.0000296000000000, -0.0100675500000000 ] - [ -0.0076044500000000, 0.0067601700000000, -0.0080515400000000 ] - [ -0.0048670500000000, -0.0008798400000000, -0.0022747000000000 ] - [ -0.0071053100000000, -0.0094865600000000, 0.0087230500000000 ] - [ 0.0102625600000000, -0.0018323700000000, 0.0152307000000000 ] - [ -0.0031335700000000, 0.0004521400000000, 0.0011871000000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0228884500000000, 0.0092922200000000, -0.0139936900000000 ] - [ -0.0032369600000000, 0.0032365900000000, 0.0020812900000000 ] - [ -0.0037542900000000, 0.0025348000000000, -0.0008032200000000 ] - [ 0.0056270300000000, -0.0001820400000000, -0.0026035000000000 ] - [ -0.0024854900000000, 0.0028511100000000, 0.0013896200000000 ] - [ -0.0035040000000000, 0.0038965800000000, 0.0036908200000000 ] - [ 0.0040248600000000, -0.0006484100000000, 0.0008861200000000 ] - [ 0.0002856200000000, -0.0011977300000000, -0.0011357400000000 ] - [ -0.0024605400000000, -0.0032317400000000, -0.0018881200000000 ] - [ 0.0021860800000000, -0.0013537400000000, -0.0001672700000000 ] - [ 0.0002343700000000, -0.0011113800000000, -0.0010555400000000 ] - [ -0.0018194800000000, -0.0028138400000000, -0.0015534900000000 ] - [ 0.0037847300000000, -0.0028866800000000, 0.0029432700000000 ] - [ -0.0027122000000000, -0.0002564600000000, 0.0001787600000000 ] - [ 0.0000223900000000, -0.0023022100000000, 0.0009299200000000 ] - [ 0.0019411700000000, -0.0021617100000000, 0.0018920300000000 ] - [ -0.0020695800000000, -0.0006765300000000, 0.0005162100000000 ] - [ -0.0000266000000000, -0.0023919600000000, 0.0010093600000000 ] - [ 0.0053888300000000, 0.0036800400000000, -0.0046665700000000 ] - [ -0.0037496200000000, -0.0003856700000000, 0.0016247300000000 ] - [ -0.0027301100000000, 0.0006634300000000, -0.0006645800000000 ] - [ 0.0219638400000000, -0.0057774100000000, -0.0147724400000000 ] - [ -0.0040172200000000, 0.0009770700000000, -0.0028998800000000 ] - [ -0.0034793600000000, 0.0002789000000000, 0.0000197800000000 ] - [ 0.0157348500000000, -0.0025432900000000, 0.0074988300000000 ] - [ -0.0049686700000000, -0.0017141800000000, 0.0009899900000000 ] - [ -0.0033379700000000, -0.0001192600000000, -0.0003823600000000 ] - [ 0.0015296300000000, -0.0001741000000000, 0.0011844900000000 ] - [ -0.0003818600000000, -0.0025147600000000, -0.0015685000000000 ] - [ -0.0022491600000000, -0.0005221700000000, -0.0002544800000000 ] - [ 0.0018628600000000, 0.0027300900000000, 0.0019174400000000 ] - [ -0.0018421900000000, 0.0009838500000000, 0.0006607300000000 ] - [ -0.0002079400000000, 0.0018190100000000, 0.0006191100000000 ] - [ 0.0015298700000000, 0.0026652400000000, 0.0015611300000000 ] - [ -0.0018623100000000, 0.0009265400000000, 0.0004159800000000 ] - [ 0.0000095400000000, 0.0016034700000000, 0.0012499500000000 ] - [ 0.0017785400000000, 0.0008457800000000, -0.0004957100000000 ] - [ 0.0002722100000000, 0.0018994100000000, -0.0008140700000000 ] - [ -0.0016137200000000, 0.0025659700000000, -0.0016541600000000 ] - [ 0.0021116200000000, 0.0007803700000000, -0.0001363700000000 ] - [ 0.0000552700000000, 0.0016840000000000, -0.0014452000000000 ] - [ -0.0015942000000000, 0.0025089900000000, -0.0014095100000000 ] - [ 0.0165622800000000, -0.0000851700000000, 0.0100172900000000 ] - [ -0.0030959100000000, -0.0033993900000000, 0.0016745200000000 ] - [ -0.0047098900000000, -0.0018199000000000, 0.0030478100000000 ] - [ 0.0017788800000000, -0.0033125500000000, 0.0032523700000000 ] - [ -0.0020004600000000, -0.0029912500000000, 0.0018027200000000 ] - [ -0.0001238900000000, -0.0009933800000000, 0.0005009900000000 ] - [ 0.0034579100000000, -0.0038517200000000, -0.0035839300000000 ] - [ -0.0020573700000000, 0.0010206600000000, 0.0001864700000000 ] - [ -0.0022715400000000, 0.0045388900000000, 0.0017593300000000 ] - [ 0.0017377700000000, -0.0006653300000000, -0.0018317800000000 ] - [ -0.0018066000000000, 0.0010834400000000, 0.0004451700000000 ] - [ -0.0000333000000000, 0.0011865800000000, -0.0007852700000000 ] - [ 0.0022240200000000, 0.0019601800000000, -0.0000903800000000 ] - [ -0.0005424500000000, -0.0018867600000000, 0.0012288900000000 ] - [ -0.0018793200000000, -0.0008002800000000, -0.0005332200000000 ] - [ 0.0064858600000000, 0.0034561000000000, 0.0054136600000000 ] - [ -0.0037751600000000, -0.0032326500000000, -0.0023432900000000 ] - [ -0.0025054000000000, -0.0003482900000000, -0.0002046400000000 ] - [ 0.0065214400000000, -0.0045496200000000, 0.0039438200000000 ] - [ -0.0024750200000000, -0.0007414200000000, -0.0016673400000000 ] - [ -0.0037693400000000, 0.0021496100000000, -0.0038195600000000 ] - [ 0.0022690000000000, -0.0030450700000000, -0.0015573700000000 ] - [ -0.0018464400000000, -0.0002861400000000, -0.0019975900000000 ] - [ -0.0005220500000000, 0.0008024800000000, -0.0002443400000000 ] - [ 0.0034894500000000, 0.0049307500000000, -0.0021174000000000 ] - [ -0.0022449600000000, -0.0034475800000000, 0.0032305500000000 ] - [ -0.0020143200000000, 0.0000612900000000, 0.0016577100000000 ] - [ 0.0017669400000000, 0.0017493600000000, -0.0003658800000000 ] - [ -0.0000128400000000, -0.0001030700000000, 0.0006867600000000 ] - [ -0.0017596600000000, -0.0000006900000000, 0.0019134000000000 ] - [ 0.0035985300000000, -0.0043534600000000, -0.0044395000000000 ] - [ -0.0023218800000000, 0.0037213000000000, 0.0036274900000000 ] - [ -0.0023824000000000, 0.0001087200000000, 0.0021039000000000 ] - [ 0.0050443200000000, -0.0048653000000000, -0.0010785200000000 ] - [ -0.0019503300000000, 0.0019796200000000, 0.0010560800000000 ] - [ -0.0028404700000000, -0.0001952800000000, 0.0022835300000000 ] - [ 0.0261419200000000, -0.0061218900000000, 0.0056328500000000 ] - [ -0.0030914300000000, 0.0003060900000000, -0.0025930000000000 ] - [ -0.0051757400000000, -0.0033468700000000, -0.0025521200000000 ] - [ 0.0056564600000000, 0.0037415700000000, 0.0051410100000000 ] - [ -0.0026039400000000, 0.0003221800000000, -0.0019583700000000 ] - [ -0.0028882300000000, -0.0010794300000000, -0.0037044700000000 ] - [ 0.0255119100000000, 0.0062995700000000, 0.0065085300000000 ] - [ -0.0052071400000000, 0.0044551800000000, -0.0010638600000000 ] - [ -0.0031191200000000, 0.0007824900000000, -0.0011244200000000 ] - [ 0.0056123500000000, -0.0026562600000000, 0.0066050400000000 ] - [ -0.0029058700000000, 0.0021603200000000, -0.0022345900000000 ] - [ -0.0026390600000000, 0.0007632900000000, -0.0004961100000000 ] - [ 0.0050107800000000, 0.0037889800000000, -0.0025386500000000 ] - [ -0.0028885000000000, -0.0008855600000000, 0.0008161500000000 ] - [ -0.0019938100000000, -0.0030674000000000, -0.0004061900000000 ] - [ 0.0035669300000000, 0.0032745600000000, -0.0059018100000000 ] - [ -0.0024253000000000, -0.0011902800000000, 0.0006319900000000 ] - [ -0.0023547800000000, -0.0048137200000000, 0.0021701900000000 ] - [ -0.1541983600000000, 0.0001869200000000, 0.0157975800000000 ] - [ 0.0074501900000000, -0.0002433000000000, 0.0002938400000000 ] - [ 0.0074150600000000, 0.0005877900000000, 0.0002952300000000 ] - [ -0.0079457900000000, 0.0001726500000000, -0.0001275700000000 ] - [ 0.0032683500000000, 0.0009282100000000, -0.0012067200000000 ] - [ 0.0032743900000000, -0.0005839000000000, -0.0012121000000000 ] - [ -0.0010144400000000, 0.0018348600000000, 0.0002482500000000 ] - [ -0.0010143700000000, -0.0020208800000000, -0.0003679300000000 ] - [ 0.0026761300000000, -0.0003343800000000, 0.0002243500000000 ] - [ -0.0010165400000000, 0.0016758900000000, -0.0003654700000000 ] - [ -0.0010166600000000, -0.0021761600000000, 0.0002416800000000 ] - [ 0.0026757200000000, -0.0000113500000000, 0.0002267300000000 ] - [ -0.0197952500000000, 0.0030244300000000, 0.0019256400000000 ] - [ 0.0046113800000000, 0.0013102600000000, -0.0020365500000000 ] - [ 0.0039957000000000, -0.0011761200000000, 0.0016787500000000 ] - [ -0.0197962100000000, -0.0034350000000000, 0.0018189500000000 ] - [ 0.0039970200000000, 0.0008468200000000, 0.0016867400000000 ] - [ 0.0046115300000000, -0.0016552600000000, -0.0020226200000000 ] - [ -0.0010668800000000, -0.0010864400000000, 0.0001055500000000 ] - [ -0.0010694200000000, 0.0014338200000000, 0.0001094900000000 ] - [ 0.0025993000000000, 0.0001711300000000, -0.0001722000000000 ] - [ -0.0010953800000000, 0.0001953400000000, -0.0000572400000000 ] - [ -0.0010936500000000, 0.0001494500000000, -0.0000568200000000 ] - [ 0.0022712400000000, 0.0001722500000000, 0.0000359100000000 ] - [ -0.0355760200000000, -0.0003848200000000, -0.0098060200000000 ] - [ 0.0071436100000000, -0.0047006800000000, 0.0004915900000000 ] - [ 0.0071413800000000, 0.0037197800000000, 0.0004747100000000 ] - [ -0.0127586600000000, -0.0004778700000000, 0.0017080700000000 ] - [ 0.0054563500000000, -0.0026099200000000, -0.0014004300000000 ] - [ 0.0054632900000000, 0.0016489500000000, -0.0014039800000000 ] - [ 0.0113262700000000, 0.0068656400000000, 0.0221447800000000 ] - [ 0.0149991100000000, -0.0204108000000000, -0.0197330500000000 ] - [ 0.0074408400000000, 0.0004097100000000, 0.0002356000000000 ] - [ 0.0150121400000000, 0.0213437000000000, -0.0196444400000000 ] - [ 0.0113077700000000, -0.0059912200000000, 0.0222174600000000 ] - [ 0.0074416500000000, 0.0005405000000000, 0.0002430900000000 ] - [ -0.0094938900000000, 0.0013170200000000, 0.0005254900000000 ] - [ 0.0041780500000000, 0.0014586000000000, -0.0021240100000000 ] - [ 0.0042295100000000, -0.0016823400000000, 0.0014520600000000 ] - [ -0.0094908500000000, -0.0003563400000000, 0.0005240100000000 ] - [ 0.0042219300000000, 0.0026393800000000, 0.0014505000000000 ] - [ 0.0041846200000000, -0.0004957100000000, -0.0021239500000000 ] - [ 0.0149721000000000, -0.0275410300000000, -0.0085490600000000 ] - [ 0.0149635400000000, 0.0266830300000000, -0.0085282300000000 ] - [ 0.0069902900000000, -0.0004725200000000, 0.0001637900000000 ] - [ -0.0010942200000000, -0.0037259100000000, -0.0001898100000000 ] - [ -0.0010965800000000, 0.0027668300000000, -0.0001884000000000 ] - [ 0.0049835900000000, -0.0004766800000000, -0.0000030000000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0027331300000000, 0.0193335600000000, 0.0013390300000000 ] - [ -0.0009696600000000, 0.0036188300000000, 0.0016155600000000 ] - [ -0.0034384900000000, 0.0086746200000000, 0.0033532600000000 ] - [ -0.0030934000000000, 0.0090041300000000, 0.0025843100000000 ] - [ 0.0003797000000000, 0.0027473600000000, 0.0011397300000000 ] - [ -0.0015521500000000, 0.0042478700000000, 0.0012347600000000 ] - [ -0.0052977400000000, -0.0097220100000000, -0.0038444500000000 ] - [ 0.0008504400000000, -0.0036892900000000, -0.0014460200000000 ] - [ -0.0009594700000000, -0.0034061400000000, -0.0014033800000000 ] - [ -0.0010377000000000, -0.0042394800000000, -0.0010891900000000 ] - [ 0.0001300900000000, -0.0033338800000000, -0.0007834400000000 ] - [ -0.0008424200000000, -0.0031995200000000, -0.0016385200000000 ] - [ 0.0052977400000000, -0.0097220100000000, 0.0038444500000000 ] - [ 0.0009594700000000, -0.0034061400000000, 0.0014033800000000 ] - [ -0.0008504400000000, -0.0036892900000000, 0.0014460200000000 ] - [ 0.0010377000000000, -0.0042394800000000, 0.0010891900000000 ] - [ 0.0008424200000000, -0.0031995200000000, 0.0016385200000000 ] - [ -0.0001300900000000, -0.0033338800000000, 0.0007834400000000 ] - [ 0.0030934000000000, 0.0090041300000000, -0.0025843100000000 ] - [ 0.0015521500000000, 0.0042478700000000, -0.0012347600000000 ] - [ -0.0003797000000000, 0.0027473600000000, -0.0011397300000000 ] - [ 0.0027331300000000, 0.0193335600000000, -0.0013390300000000 ] - [ 0.0034384900000000, 0.0086746200000000, -0.0033532600000000 ] - [ 0.0009696600000000, 0.0036188300000000, -0.0016155600000000 ] - [ -0.0006863900000000, 0.0144858300000000, -0.0153049100000000 ] - [ -0.0055114700000000, 0.0031705300000000, 0.0018628600000000 ] - [ -0.0000938900000000, -0.0004664500000000, -0.0005287300000000 ] - [ -0.0007410700000000, 0.0007257300000000, -0.0014008400000000 ] - [ -0.0009912300000000, 0.0003683200000000, -0.0009177100000000 ] - [ -0.0004550300000000, -0.0006708600000000, -0.0009298700000000 ] - [ -0.0012089100000000, -0.0023461600000000, 0.0003602900000000 ] - [ -0.0010164500000000, 0.0001006300000000, 0.0007470800000000 ] - [ -0.0012594400000000, -0.0011331800000000, 0.0008032800000000 ] - [ -0.0020456500000000, -0.0018409100000000, 0.0001328000000000 ] - [ -0.0011449900000000, 0.0001498400000000, 0.0004514200000000 ] - [ -0.0008366600000000, -0.0000081200000000, 0.0004282200000000 ] - [ 0.0020456500000000, -0.0018409100000000, -0.0001328000000000 ] - [ 0.0008366600000000, -0.0000081200000000, -0.0004282200000000 ] - [ 0.0011449900000000, 0.0001498400000000, -0.0004514200000000 ] - [ 0.0012089100000000, -0.0023461600000000, -0.0003602900000000 ] - [ 0.0012594400000000, -0.0011331800000000, -0.0008032800000000 ] - [ 0.0010164500000000, 0.0001006300000000, -0.0007470800000000 ] - [ 0.0006863900000000, 0.0144858300000000, 0.0153049100000000 ] - [ 0.0000938900000000, -0.0004664500000000, 0.0005287300000000 ] - [ 0.0055114700000000, 0.0031705300000000, -0.0018628600000000 ] - [ 0.0007410700000000, 0.0007257300000000, 0.0014008400000000 ] - [ 0.0004550300000000, -0.0006708600000000, 0.0009298700000000 ] - [ 0.0009912300000000, 0.0003683200000000, 0.0009177100000000 ] - [ 0.0008168300000000, -0.0049879500000000, -0.0025773600000000 ] - [ -0.0006355600000000, -0.0001103100000000, -0.0006388400000000 ] - [ 0.0044486300000000, -0.0056818100000000, -0.0042345200000000 ] - [ -0.0009336300000000, -0.0004133100000000, 0.0005741700000000 ] - [ -0.0006149700000000, 0.0004212400000000, -0.0000562100000000 ] - [ 0.0002448900000000, -0.0002185700000000, -0.0004394200000000 ] - [ 0.0013077500000000, -0.0016440100000000, 0.0045994500000000 ] - [ -0.0004808600000000, -0.0004481500000000, 0.0013404900000000 ] - [ 0.0006338300000000, -0.0003317500000000, 0.0013933500000000 ] - [ -0.0005229900000000, -0.0058114100000000, -0.0051006600000000 ] - [ -0.0059523400000000, -0.0029471600000000, -0.0041513000000000 ] - [ 0.0008446800000000, -0.0006286100000000, 0.0006170300000000 ] - [ 0.0005229900000000, -0.0058114100000000, 0.0051006600000000 ] - [ -0.0008446800000000, -0.0006286100000000, -0.0006170300000000 ] - [ 0.0059523400000000, -0.0029471600000000, 0.0041513000000000 ] - [ -0.0013077500000000, -0.0016440100000000, -0.0045994500000000 ] - [ -0.0006338300000000, -0.0003317500000000, -0.0013933500000000 ] - [ 0.0004808600000000, -0.0004481500000000, -0.0013404900000000 ] - [ -0.0008168300000000, -0.0049879500000000, 0.0025773600000000 ] - [ -0.0044486300000000, -0.0056818100000000, 0.0042345200000000 ] - [ 0.0006355600000000, -0.0001103100000000, 0.0006388400000000 ] - [ 0.0009336300000000, -0.0004133100000000, -0.0005741700000000 ] - [ -0.0002448900000000, -0.0002185700000000, 0.0004394200000000 ] - [ 0.0006149700000000, 0.0004212400000000, 0.0000562100000000 ] - [ 0.0007743600000000, -0.0031255400000000, -0.0034694600000000 ] - [ 0.0006585600000000, 0.0003054700000000, 0.0006537200000000 ] - [ -0.0006079300000000, -0.0006487000000000, 0.0009139300000000 ] - [ -0.0057665000000000, -0.0023434300000000, 0.0068564300000000 ] - [ 0.0048537600000000, -0.0035680600000000, -0.0004267200000000 ] - [ -0.0006619500000000, -0.0005564900000000, 0.0014538500000000 ] - [ -0.0053338500000000, 0.0292072700000000, 0.0003575600000000 ] - [ 0.0008141900000000, 0.0012776500000000, -0.0005035700000000 ] - [ -0.0013716100000000, 0.0019178000000000, 0.0003110100000000 ] - [ 0.0008384000000000, 0.0020355500000000, -0.0000791500000000 ] - [ 0.0007380500000000, 0.0009342300000000, -0.0001359600000000 ] - [ -0.0048165700000000, -0.0011641400000000, -0.0060296200000000 ] - [ 0.0053338500000000, 0.0292072700000000, -0.0003575600000000 ] - [ 0.0013716100000000, 0.0019178000000000, -0.0003110100000000 ] - [ -0.0008141900000000, 0.0012776500000000, 0.0005035700000000 ] - [ -0.0008384000000000, 0.0020355500000000, 0.0000791500000000 ] - [ 0.0048165700000000, -0.0011641400000000, 0.0060296200000000 ] - [ -0.0007380500000000, 0.0009342300000000, 0.0001359600000000 ] - [ 0.0057665000000000, -0.0023434300000000, -0.0068564300000000 ] - [ 0.0006619500000000, -0.0005564900000000, -0.0014538500000000 ] - [ -0.0048537600000000, -0.0035680600000000, 0.0004267200000000 ] - [ -0.0007743600000000, -0.0031255400000000, 0.0034694600000000 ] - [ 0.0006079300000000, -0.0006487000000000, -0.0009139300000000 ] - [ -0.0006585600000000, 0.0003054700000000, -0.0006537200000000 ] - [ 0.0000000000000000, -0.1943342400000000, 0.0000000000000000 ] - [ 0.0004128900000000, -0.0041991000000000, 0.0019873700000000 ] - [ -0.0004128900000000, -0.0041991000000000, -0.0019873700000000 ] - [ 0.0000000000000000, -0.0024040100000000, 0.0000000000000000 ] - [ -0.0007589400000000, -0.0026527300000000, -0.0003979300000000 ] - [ 0.0007589400000000, -0.0026527300000000, 0.0003979300000000 ] - [ 0.0018422500000000, 0.0044730300000000, 0.0026964000000000 ] - [ -0.0019956100000000, 0.0044653200000000, 0.0011919600000000 ] - [ 0.0001615000000000, 0.0017596600000000, 0.0001225100000000 ] - [ 0.0019956100000000, 0.0044653200000000, -0.0011919600000000 ] - [ -0.0018422500000000, 0.0044730300000000, -0.0026964000000000 ] - [ -0.0001615000000000, 0.0017596600000000, -0.0001225100000000 ] - [ 0.0032324200000000, -0.0015602200000000, -0.0257635200000000 ] - [ 0.0014795300000000, -0.0022583100000000, -0.0025775600000000 ] - [ -0.0010114500000000, -0.0044141200000000, -0.0007150100000000 ] - [ -0.0032324200000000, -0.0015602200000000, 0.0257635200000000 ] - [ 0.0010114500000000, -0.0044141200000000, 0.0007150100000000 ] - [ -0.0014795300000000, -0.0022583100000000, 0.0025775600000000 ] - [ 0.0012529000000000, 0.0070154800000000, -0.0013048600000000 ] - [ -0.0012529000000000, 0.0070154800000000, 0.0013048600000000 ] - [ 0.0000000000000000, 0.0024985200000000, 0.0000000000000000 ] - [ -0.0000267700000000, 0.0030881900000000, -0.0001346600000000 ] - [ 0.0000267700000000, 0.0030881900000000, 0.0001346600000000 ] - [ 0.0000000000000000, 0.0019617100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0590343800000000, 0.0000000000000000 ] - [ -0.0045063100000000, 0.0013664800000000, 0.0026171600000000 ] - [ 0.0045063100000000, 0.0013664800000000, -0.0026171600000000 ] - [ 0.0000000000000000, 0.0015634900000000, 0.0000000000000000 ] - [ -0.0025014300000000, 0.0027122300000000, -0.0014934000000000 ] - [ 0.0025014300000000, 0.0027122300000000, 0.0014934000000000 ] - [ 0.0204830700000000, -0.0066542300000000, 0.0235629300000000 ] - [ -0.0070568900000000, -0.0086198300000000, 0.0054120000000000 ] - [ 0.0007002600000000, -0.0015120800000000, -0.0002785000000000 ] - [ 0.0070568900000000, -0.0086198300000000, -0.0054120000000000 ] - [ -0.0204830700000000, -0.0066542300000000, -0.0235629300000000 ] - [ -0.0007002600000000, -0.0015120800000000, 0.0002785000000000 ] - [ -0.0012825400000000, 0.0106343800000000, -0.0052658200000000 ] - [ 0.0029641800000000, 0.0030542900000000, -0.0033486500000000 ] - [ -0.0025356600000000, 0.0055380400000000, -0.0019612800000000 ] - [ 0.0012825400000000, 0.0106343800000000, 0.0052658200000000 ] - [ 0.0025356600000000, 0.0055380400000000, 0.0019612800000000 ] - [ -0.0029641800000000, 0.0030542900000000, 0.0033486500000000 ] - [ -0.0291649200000000, 0.0245949000000000, 0.0099093100000000 ] - [ 0.0291649200000000, 0.0245949000000000, -0.0099093100000000 ] - [ 0.0000000000000000, -0.0016933200000000, 0.0000000000000000 ] - [ -0.0018215400000000, -0.0031213000000000, -0.0009767700000000 ] - [ 0.0018215400000000, -0.0031213000000000, 0.0009767700000000 ] - [ 0.0000000000000000, -0.0021288100000000, 0.0000000000000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0027832000000000, -0.0158954500000000, 0.0010539600000000 ] - [ 0.0012161200000000, -0.0000970300000000, 0.0004430700000000 ] - [ 0.0037017500000000, -0.0051552000000000, -0.0012798200000000 ] - [ 0.0033442800000000, -0.0055008300000000, -0.0005171600000000 ] - [ -0.0001356900000000, 0.0007748200000000, 0.0009181900000000 ] - [ 0.0017971400000000, -0.0007311400000000, 0.0008376400000000 ] - [ 0.0055548900000000, 0.0062052800000000, 0.0017964700000000 ] - [ -0.0006024300000000, 0.0001736800000000, -0.0006220200000000 ] - [ 0.0012057300000000, -0.0000940800000000, -0.0006660900000000 ] - [ 0.0012788000000000, 0.0007116300000000, -0.0009759100000000 ] - [ 0.0001257600000000, -0.0001796600000000, -0.0012825700000000 ] - [ 0.0010917300000000, -0.0002980100000000, -0.0004300700000000 ] - [ -0.0055548900000000, 0.0062052800000000, -0.0017964700000000 ] - [ -0.0012057300000000, -0.0000940800000000, 0.0006660900000000 ] - [ 0.0006024300000000, 0.0001736800000000, 0.0006220200000000 ] - [ -0.0012788000000000, 0.0007116300000000, 0.0009759100000000 ] - [ -0.0010917300000000, -0.0002980100000000, 0.0004300700000000 ] - [ -0.0001257600000000, -0.0001796600000000, 0.0012825700000000 ] - [ -0.0033442800000000, -0.0055008300000000, 0.0005171600000000 ] - [ -0.0017971400000000, -0.0007311400000000, -0.0008376400000000 ] - [ 0.0001356900000000, 0.0007748200000000, -0.0009181900000000 ] - [ -0.0027832000000000, -0.0158954500000000, -0.0010539600000000 ] - [ -0.0037017500000000, -0.0051552000000000, 0.0012798200000000 ] - [ -0.0012161200000000, -0.0000970300000000, -0.0004430700000000 ] - [ -0.0007601500000000, -0.0164981600000000, 0.0122876400000000 ] - [ 0.0052498700000000, -0.0066690200000000, -0.0039169900000000 ] - [ -0.0001517500000000, -0.0030518000000000, -0.0015279100000000 ] - [ 0.0004884500000000, -0.0042045800000000, -0.0006606300000000 ] - [ 0.0007307400000000, -0.0038746500000000, -0.0011486800000000 ] - [ 0.0002060800000000, -0.0028450700000000, -0.0011256800000000 ] - [ 0.0009564700000000, 0.0058610100000000, 0.0016961800000000 ] - [ 0.0007672800000000, 0.0033953900000000, 0.0013222900000000 ] - [ 0.0010058400000000, 0.0046442700000000, 0.0012644700000000 ] - [ 0.0017895400000000, 0.0053513100000000, 0.0019155100000000 ] - [ 0.0008955500000000, 0.0033458900000000, 0.0016173600000000 ] - [ 0.0005786300000000, 0.0035158700000000, 0.0016352300000000 ] - [ -0.0017895400000000, 0.0053513100000000, -0.0019155100000000 ] - [ -0.0005786300000000, 0.0035158700000000, -0.0016352300000000 ] - [ -0.0008955500000000, 0.0033458900000000, -0.0016173600000000 ] - [ -0.0009564700000000, 0.0058610100000000, -0.0016961800000000 ] - [ -0.0010058400000000, 0.0046442700000000, -0.0012644700000000 ] - [ -0.0007672800000000, 0.0033953900000000, -0.0013222900000000 ] - [ 0.0007601500000000, -0.0164981600000000, -0.0122876400000000 ] - [ 0.0001517500000000, -0.0030518000000000, 0.0015279100000000 ] - [ -0.0052498700000000, -0.0066690200000000, 0.0039169900000000 ] - [ -0.0004884500000000, -0.0042045800000000, 0.0006606300000000 ] - [ -0.0002060800000000, -0.0028450700000000, 0.0011256800000000 ] - [ -0.0007307400000000, -0.0038746500000000, 0.0011486800000000 ] - [ -0.0008594000000000, 0.0060731900000000, 0.0011122100000000 ] - [ 0.0005879400000000, 0.0011963300000000, -0.0008293100000000 ] - [ -0.0044587000000000, 0.0067651500000000, 0.0027534800000000 ] - [ 0.0008962100000000, 0.0015014100000000, -0.0020286400000000 ] - [ 0.0005659200000000, 0.0006647600000000, -0.0014093500000000 ] - [ -0.0002635400000000, 0.0013054200000000, -0.0010308600000000 ] - [ -0.0013449900000000, 0.0005630600000000, -0.0031232200000000 ] - [ 0.0004553100000000, -0.0006334300000000, 0.0001281700000000 ] - [ -0.0006657200000000, -0.0007539000000000, 0.0000703100000000 ] - [ 0.0005012500000000, 0.0047023800000000, 0.0065563700000000 ] - [ 0.0059292900000000, 0.0018627600000000, 0.0056134700000000 ] - [ -0.0008759900000000, -0.0004576000000000, 0.0008458000000000 ] - [ -0.0005012500000000, 0.0047023800000000, -0.0065563700000000 ] - [ 0.0008759900000000, -0.0004576000000000, -0.0008458000000000 ] - [ -0.0059292900000000, 0.0018627600000000, -0.0056134700000000 ] - [ 0.0013449900000000, 0.0005630600000000, 0.0031232200000000 ] - [ 0.0006657200000000, -0.0007539000000000, -0.0000703100000000 ] - [ -0.0004553100000000, -0.0006334300000000, -0.0001281700000000 ] - [ 0.0008594000000000, 0.0060731900000000, -0.0011122100000000 ] - [ 0.0044587000000000, 0.0067651500000000, -0.0027534800000000 ] - [ -0.0005879400000000, 0.0011963300000000, 0.0008293100000000 ] - [ -0.0008962100000000, 0.0015014100000000, 0.0020286400000000 ] - [ 0.0002635400000000, 0.0013054200000000, 0.0010308600000000 ] - [ -0.0005659200000000, 0.0006647600000000, 0.0014093500000000 ] - [ -0.0007378800000000, 0.0020336800000000, 0.0049344600000000 ] - [ -0.0006267800000000, -0.0014117800000000, 0.0008041300000000 ] - [ 0.0006545000000000, -0.0004382900000000, 0.0005534600000000 ] - [ 0.0058343900000000, 0.0012581600000000, -0.0054312800000000 ] - [ -0.0048185300000000, 0.0024698700000000, 0.0018896000000000 ] - [ 0.0007077000000000, -0.0005316300000000, 0.0000139300000000 ] - [ 0.0066650600000000, -0.0298364100000000, -0.0007823700000000 ] - [ -0.0007814300000000, -0.0001909600000000, -0.0009599500000000 ] - [ 0.0013834000000000, -0.0008436400000000, -0.0017977200000000 ] - [ -0.0008013700000000, -0.0009639400000000, -0.0014030300000000 ] - [ -0.0007050800000000, 0.0001503700000000, -0.0013289800000000 ] - [ 0.0048502000000000, 0.0022486000000000, 0.0045781200000000 ] - [ -0.0066650600000000, -0.0298364100000000, 0.0007823700000000 ] - [ -0.0013834000000000, -0.0008436400000000, 0.0017977200000000 ] - [ 0.0007814300000000, -0.0001909600000000, 0.0009599500000000 ] - [ 0.0008013700000000, -0.0009639400000000, 0.0014030300000000 ] - [ -0.0048502000000000, 0.0022486000000000, -0.0045781200000000 ] - [ 0.0007050800000000, 0.0001503700000000, 0.0013289800000000 ] - [ -0.0058343900000000, 0.0012581600000000, 0.0054312800000000 ] - [ -0.0007077000000000, -0.0005316300000000, -0.0000139300000000 ] - [ 0.0048185300000000, 0.0024698700000000, -0.0018896000000000 ] - [ 0.0007378800000000, 0.0020336800000000, -0.0049344600000000 ] - [ -0.0006545000000000, -0.0004382900000000, -0.0005534600000000 ] - [ 0.0006267800000000, -0.0014117800000000, -0.0008041300000000 ] - [ 0.0000000000000000, 0.1958281100000000, 0.0000000000000000 ] - [ -0.0004186200000000, 0.0045362500000000, -0.0019904100000000 ] - [ 0.0004186200000000, 0.0045362500000000, 0.0019904100000000 ] - [ 0.0000000000000000, 0.0027375900000000, 0.0000000000000000 ] - [ 0.0007523600000000, 0.0029963100000000, 0.0004056600000000 ] - [ -0.0007523600000000, 0.0029963100000000, -0.0004056600000000 ] - [ -0.0018547300000000, -0.0048055000000000, -0.0027043600000000 ] - [ 0.0020155900000000, -0.0048136500000000, -0.0012053800000000 ] - [ -0.0001614100000000, -0.0020995100000000, -0.0001218300000000 ] - [ -0.0020155900000000, -0.0048136500000000, 0.0012053800000000 ] - [ 0.0018547300000000, -0.0048055000000000, 0.0027043600000000 ] - [ 0.0001614100000000, -0.0020995100000000, 0.0001218300000000 ] - [ -0.0032273000000000, 0.0011413900000000, 0.0255991400000000 ] - [ -0.0014859300000000, 0.0019050300000000, 0.0025728400000000 ] - [ 0.0010117500000000, 0.0040677700000000, 0.0007127100000000 ] - [ 0.0032273000000000, 0.0011413900000000, -0.0255991400000000 ] - [ -0.0010117500000000, 0.0040677700000000, -0.0007127100000000 ] - [ 0.0014859300000000, 0.0019050300000000, -0.0025728400000000 ] - [ -0.0012679200000000, -0.0066714800000000, 0.0013059800000000 ] - [ 0.0012679200000000, -0.0066714800000000, -0.0013059800000000 ] - [ 0.0000000000000000, -0.0021515200000000, 0.0000000000000000 ] - [ 0.0000184400000000, -0.0027395500000000, 0.0001314800000000 ] - [ -0.0000184400000000, -0.0027395500000000, -0.0001314800000000 ] - [ 0.0000000000000000, -0.0016153800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0607736400000000, 0.0000000000000000 ] - [ 0.0045058000000000, -0.0023119000000000, -0.0026133600000000 ] - [ -0.0045058000000000, -0.0023119000000000, 0.0026133600000000 ] - [ 0.0000000000000000, -0.0024887800000000, 0.0000000000000000 ] - [ 0.0024981300000000, -0.0036692200000000, 0.0015026500000000 ] - [ -0.0024981300000000, -0.0036692200000000, -0.0015026500000000 ] - [ -0.0204894900000000, 0.0076255500000000, -0.0235778500000000 ] - [ 0.0069957300000000, 0.0097126000000000, -0.0053761500000000 ] - [ -0.0007029200000000, 0.0024648400000000, 0.0002790000000000 ] - [ -0.0069957300000000, 0.0097126000000000, 0.0053761500000000 ] - [ 0.0204894900000000, 0.0076255500000000, 0.0235778500000000 ] - [ 0.0007029200000000, 0.0024648400000000, -0.0002790000000000 ] - [ 0.0012658500000000, -0.0096559700000000, 0.0052403700000000 ] - [ -0.0029577100000000, -0.0020946400000000, 0.0033417500000000 ] - [ 0.0025314300000000, -0.0045799100000000, 0.0019582600000000 ] - [ -0.0012658500000000, -0.0096559700000000, -0.0052403700000000 ] - [ -0.0025314300000000, -0.0045799100000000, -0.0019582600000000 ] - [ 0.0029577100000000, -0.0020946400000000, -0.0033417500000000 ] - [ 0.0289958300000000, -0.0254914300000000, -0.0099206600000000 ] - [ -0.0289958300000000, -0.0254914300000000, 0.0099206600000000 ] - [ 0.0000000000000000, 0.0007358900000000, 0.0000000000000000 ] - [ 0.0018138800000000, 0.0021441700000000, 0.0009709100000000 ] - [ -0.0018138800000000, 0.0021441700000000, -0.0009709100000000 ] - [ 0.0000000000000000, 0.0011692700000000, 0.0000000000000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0071867000000000, -0.0132072100000000, 0.0342206200000000 ] - [ 0.0008691100000000, 0.0018462400000000, 0.0013046300000000 ] - [ -0.0030987100000000, 0.0024763000000000, 0.0016753800000000 ] - [ -0.0030364600000000, 0.0030425200000000, -0.0047143000000000 ] - [ -0.0002085400000000, 0.0018155300000000, 0.0006513900000000 ] - [ 0.0062109200000000, -0.0024669800000000, -0.0030516100000000 ] - [ 0.0019004000000000, -0.0013031300000000, 0.0012498200000000 ] - [ 0.0007707700000000, -0.0023672900000000, 0.0000207200000000 ] - [ 0.0005523500000000, -0.0014608800000000, -0.0004797800000000 ] - [ -0.0009055700000000, -0.0017981000000000, -0.0025686400000000 ] - [ -0.0004914800000000, -0.0020592900000000, -0.0020545400000000 ] - [ 0.0004112000000000, -0.0014383700000000, -0.0013771200000000 ] - [ 0.0016624800000000, -0.0022304600000000, 0.0033083600000000 ] - [ 0.0003024300000000, -0.0020304400000000, 0.0015883100000000 ] - [ 0.0005107800000000, -0.0011359500000000, 0.0020887900000000 ] - [ -0.0011543900000000, -0.0017123000000000, -0.0005112700000000 ] - [ 0.0001590100000000, -0.0020513600000000, 0.0006916000000000 ] - [ -0.0007512500000000, -0.0014449500000000, 0.0000090700000000 ] - [ -0.0032311500000000, 0.0004909500000000, -0.0067663800000000 ] - [ 0.0059486400000000, 0.0059649000000000, -0.0051151900000000 ] - [ -0.0004561700000000, 0.0016990000000000, -0.0014070300000000 ] - [ -0.0095099800000000, 0.0169202900000000, 0.0350406500000000 ] - [ -0.0033574800000000, 0.0010279300000000, -0.0003841900000000 ] - [ 0.0006222200000000, 0.0016673400000000, -0.0007511700000000 ] - [ -0.0042948800000000, 0.0010338400000000, 0.0226013200000000 ] - [ -0.0017233300000000, 0.0026461400000000, 0.0032613300000000 ] - [ -0.0010319600000000, -0.0012604300000000, -0.0003904500000000 ] - [ 0.0016219100000000, -0.0048264300000000, -0.0064857000000000 ] - [ -0.0000484300000000, -0.0021480500000000, -0.0028351400000000 ] - [ 0.0009576000000000, -0.0026758900000000, -0.0017303200000000 ] - [ 0.0003935200000000, 0.0014400100000000, 0.0014841500000000 ] - [ -0.0002230400000000, 0.0015935000000000, 0.0011910300000000 ] - [ -0.0002450900000000, 0.0019361400000000, 0.0008571600000000 ] - [ -0.0005750100000000, 0.0013888200000000, 0.0006128000000000 ] - [ -0.0005222500000000, 0.0014110400000000, 0.0007749100000000 ] - [ 0.0002136900000000, 0.0025656800000000, 0.0012657000000000 ] - [ -0.0003258100000000, 0.0021244600000000, -0.0014461500000000 ] - [ 0.0004723600000000, 0.0009430400000000, -0.0008005400000000 ] - [ -0.0002746800000000, 0.0020843600000000, -0.0012966200000000 ] - [ 0.0006436600000000, 0.0020733300000000, -0.0005661200000000 ] - [ 0.0000182400000000, 0.0015699200000000, -0.0012051500000000 ] - [ 0.0000264600000000, 0.0019009800000000, -0.0008771500000000 ] - [ -0.0037601600000000, -0.0041123700000000, 0.0248724100000000 ] - [ -0.0007835700000000, -0.0022559700000000, 0.0016659200000000 ] - [ -0.0014673200000000, -0.0061751000000000, 0.0053431700000000 ] - [ 0.0018545900000000, 0.0013173600000000, -0.0044074300000000 ] - [ 0.0012032100000000, -0.0008405700000000, 0.0003264700000000 ] - [ 0.0002167500000000, -0.0013614000000000, -0.0007721000000000 ] - [ 0.0006474700000000, -0.0015097900000000, -0.0009742900000000 ] - [ -0.0006033900000000, 0.0005584900000000, -0.0004126900000000 ] - [ -0.0021302300000000, 0.0042994300000000, 0.0017312900000000 ] - [ 0.0004465200000000, 0.0004893800000000, -0.0015255600000000 ] - [ -0.0001632200000000, 0.0004884000000000, -0.0006232600000000 ] - [ 0.0003468000000000, 0.0002018800000000, -0.0015983700000000 ] - [ -0.0009108900000000, 0.0007984600000000, -0.0016272000000000 ] - [ 0.0003823400000000, 0.0006245200000000, 0.0008800700000000 ] - [ -0.0004583600000000, -0.0005922700000000, 0.0001994200000000 ] - [ 0.0033981900000000, -0.0043494500000000, 0.0048391100000000 ] - [ -0.0021018500000000, -0.0018878700000000, -0.0005799000000000 ] - [ -0.0003348800000000, -0.0006229500000000, 0.0008941900000000 ] - [ 0.0034338600000000, 0.0032458300000000, 0.0033492600000000 ] - [ -0.0003027900000000, -0.0004620500000000, -0.0005712400000000 ] - [ -0.0020979600000000, 0.0008100400000000, -0.0020611200000000 ] - [ -0.0008667300000000, -0.0018913600000000, -0.0030874900000000 ] - [ -0.0004246600000000, -0.0004943700000000, -0.0012618100000000 ] - [ 0.0004087300000000, -0.0017114600000000, -0.0005854900000000 ] - [ 0.0006856700000000, 0.0026025100000000, 0.0004838700000000 ] - [ -0.0021050600000000, -0.0032105500000000, 0.0032011300000000 ] - [ -0.0005585700000000, 0.0005264600000000, 0.0010559100000000 ] - [ 0.0004756900000000, 0.0005931800000000, -0.0000582400000000 ] - [ 0.0003631700000000, 0.0008782100000000, -0.0001225400000000 ] - [ -0.0001155600000000, 0.0005944400000000, 0.0008450200000000 ] - [ 0.0008363000000000, -0.0025757100000000, -0.0025290700000000 ] - [ 0.0050958300000000, -0.0071338000000000, -0.0043321300000000 ] - [ 0.0006924500000000, -0.0009729400000000, -0.0002737400000000 ] - [ -0.0015283000000000, 0.0049664200000000, 0.0051748400000000 ] - [ -0.0035521700000000, 0.0023684400000000, 0.0026036300000000 ] - [ 0.0004694300000000, -0.0001374800000000, 0.0010456300000000 ] - [ 0.0097630400000000, -0.0061749300000000, 0.0181379100000000 ] - [ 0.0004487600000000, 0.0009311000000000, 0.0003487400000000 ] - [ 0.0052380700000000, 0.0026988300000000, 0.0050017000000000 ] - [ -0.0038362700000000, -0.0024662800000000, -0.0089829000000000 ] - [ 0.0008047500000000, 0.0001637500000000, -0.0012417700000000 ] - [ -0.0031408600000000, -0.0006107000000000, -0.0051396700000000 ] - [ 0.0093265800000000, 0.0067824000000000, 0.0193773000000000 ] - [ 0.0052042600000000, -0.0016079600000000, 0.0064597300000000 ] - [ 0.0004170400000000, 0.0001545900000000, 0.0018140200000000 ] - [ -0.0038735300000000, 0.0035670700000000, -0.0075240800000000 ] - [ -0.0031640700000000, 0.0016932400000000, -0.0036650800000000 ] - [ 0.0007748500000000, 0.0009212800000000, 0.0002225400000000 ] - [ -0.0015585000000000, -0.0060332400000000, 0.0037003000000000 ] - [ 0.0004217500000000, -0.0009459200000000, -0.0004236500000000 ] - [ -0.0035847400000000, -0.0034501700000000, 0.0011321900000000 ] - [ 0.0007945800000000, 0.0014933800000000, -0.0039754200000000 ] - [ 0.0006457600000000, -0.0001104400000000, -0.0017412800000000 ] - [ 0.0050738200000000, 0.0060596900000000, -0.0057886600000000 ] - [ 0.0158297200000000, -0.0002312900000000, -0.2144424100000000 ] - [ 0.0002935400000000, -0.0018133400000000, -0.0029178900000000 ] - [ 0.0002982800000000, 0.0021643500000000, -0.0029194200000000 ] - [ -0.0001311000000000, 0.0001743900000000, 0.0105885700000000 ] - [ -0.0012062000000000, 0.0005745600000000, 0.0038376200000000 ] - [ -0.0012099700000000, -0.0002294800000000, 0.0038397900000000 ] - [ 0.0003677800000000, 0.0010265600000000, 0.0002814700000000 ] - [ -0.0002404500000000, 0.0025247600000000, 0.0002776400000000 ] - [ -0.0002281600000000, -0.0000508900000000, -0.0001717800000000 ] - [ -0.0002463500000000, -0.0028758200000000, 0.0002748000000000 ] - [ 0.0003687300000000, -0.0013706300000000, 0.0002712300000000 ] - [ -0.0002291400000000, -0.0002949600000000, -0.0001725100000000 ] - [ 0.0018667500000000, -0.0256626800000000, 0.0269810400000000 ] - [ -0.0020275900000000, -0.0027451900000000, -0.0020611900000000 ] - [ 0.0016860200000000, -0.0008826700000000, 0.0012245200000000 ] - [ 0.0018717800000000, 0.0257025900000000, 0.0273156700000000 ] - [ 0.0016823200000000, 0.0005446400000000, 0.0012192100000000 ] - [ -0.0020281900000000, 0.0024051400000000, -0.0020674600000000 ] - [ -0.0001048000000000, -0.0011335900000000, -0.0007834500000000 ] - [ -0.0001066800000000, 0.0014768000000000, -0.0007771000000000 ] - [ 0.0001695400000000, 0.0001708500000000, -0.0001229400000000 ] - [ 0.0000564900000000, 0.0000381000000000, 0.0006457700000000 ] - [ 0.0000611700000000, 0.0003037900000000, 0.0006449200000000 ] - [ -0.0000387600000000, 0.0001711500000000, 0.0004725400000000 ] - [ -0.0100999000000000, -0.0003832800000000, -0.0264679700000000 ] - [ -0.0007456500000000, 0.0017891400000000, -0.0051000100000000 ] - [ -0.0007436200000000, -0.0027542800000000, -0.0051101400000000 ] - [ 0.0035035900000000, -0.0004941800000000, 0.0098730000000000 ] - [ -0.0017536700000000, -0.0009895600000000, 0.0056328000000000 ] - [ -0.0017580300000000, 0.0000262300000000, 0.0056353600000000 ] - [ 0.0186472500000000, 0.0086152100000000, 0.0147636100000000 ] - [ -0.0291076200000000, 0.0267915900000000, 0.0190246200000000 ] - [ -0.0011770000000000, 0.0010960200000000, -0.0002639600000000 ] - [ -0.0292461500000000, -0.0259170000000000, 0.0190550900000000 ] - [ 0.0187414300000000, -0.0077563000000000, 0.0147025000000000 ] - [ -0.0011789300000000, -0.0001393100000000, -0.0002657300000000 ] - [ -0.0010599800000000, -0.0009470000000000, 0.0013905800000000 ] - [ 0.0006446500000000, 0.0005638400000000, -0.0021048800000000 ] - [ 0.0013402700000000, -0.0008315800000000, 0.0012619200000000 ] - [ -0.0010532000000000, 0.0019091000000000, 0.0013739800000000 ] - [ 0.0013336200000000, 0.0017837300000000, 0.0012516200000000 ] - [ 0.0006452200000000, 0.0003950400000000, -0.0021125800000000 ] - [ 0.0094717400000000, -0.0101214700000000, -0.0150703600000000 ] - [ 0.0093957000000000, 0.0090904900000000, -0.0150297800000000 ] - [ 0.0014303100000000, -0.0004767200000000, -0.0007826700000000 ] - [ -0.0008549300000000, 0.0014431600000000, 0.0048845600000000 ] - [ -0.0008375700000000, -0.0023805900000000, 0.0048802400000000 ] - [ -0.0003542700000000, -0.0004758900000000, 0.0012368000000000 ]- atom: 121 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0113613100000000, -0.0060823500000000, 0.0009582200000000 ] - [ -0.0050251800000000, 0.0029978200000000, 0.0026717200000000 ] - [ -0.0057963200000000, 0.0076623000000000, 0.0008740300000000 ] - [ 0.0081699600000000, -0.0058658400000000, -0.0052421400000000 ] - [ -0.0042505700000000, 0.0032386300000000, 0.0019023500000000 ] - [ -0.0083010700000000, 0.0093366600000000, 0.0061876900000000 ] - [ 0.0690560800000000, 0.0540731200000000, 0.0375558600000000 ] - [ -0.0116095300000000, -0.0022319600000000, -0.0010111900000000 ] - [ -0.0075281000000000, -0.0060336600000000, -0.0033948300000000 ] - [ 0.0060406400000000, -0.0015392500000000, 0.0056479400000000 ] - [ -0.0007814200000000, -0.0008477300000000, -0.0027653100000000 ] - [ -0.0044850400000000, -0.0043637600000000, -0.0022895800000000 ] - [ 0.0705252100000000, -0.0606884300000000, 0.0415199000000000 ] - [ -0.0077804200000000, 0.0025446700000000, -0.0013244600000000 ] - [ -0.0118697600000000, -0.0012564400000000, 0.0010526300000000 ] - [ 0.0058065500000000, -0.0019823100000000, 0.0077137900000000 ] - [ -0.0047314000000000, 0.0008730100000000, -0.0002176000000000 ] - [ -0.0010400500000000, -0.0026545100000000, -0.0006905300000000 ] - [ 0.0079230300000000, 0.0093624300000000, -0.0073169800000000 ] - [ -0.0085490700000000, -0.0058285200000000, 0.0041117400000000 ] - [ -0.0044989900000000, 0.0002712000000000, -0.0001542600000000 ] - [ 0.0111229100000000, 0.0095734700000000, -0.0011222400000000 ] - [ -0.0060374400000000, -0.0041516300000000, -0.0012030100000000 ] - [ -0.0052731200000000, 0.0005110800000000, 0.0006135100000000 ] - [ 0.0026791500000000, 0.0025300900000000, -0.0012717800000000 ] - [ -0.0009527800000000, -0.0034420900000000, -0.0005488400000000 ] - [ -0.0037486900000000, 0.0005844500000000, 0.0001647200000000 ] - [ 0.0029518900000000, -0.0014610200000000, -0.0018125600000000 ] - [ -0.0000512900000000, -0.0037655400000000, -0.0015001000000000 ] - [ -0.0036575700000000, 0.0005357800000000, 0.0000877300000000 ] - [ 0.0117755300000000, 0.0148776600000000, 0.0100746000000000 ] - [ -0.0035366000000000, 0.0015469400000000, 0.0009082800000000 ] - [ -0.0092642900000000, -0.0074566600000000, -0.0041847900000000 ] - [ 0.0050194000000000, 0.0097453200000000, -0.0025437400000000 ] - [ -0.0033837100000000, 0.0007231400000000, -0.0003286000000000 ] - [ -0.0012941600000000, -0.0009156800000000, 0.0015393300000000 ] - [ 0.0052581000000000, -0.0062466000000000, -0.0046269000000000 ] - [ -0.0010318200000000, 0.0044196300000000, -0.0005190500000000 ] - [ -0.0031318400000000, 0.0027641700000000, -0.0023959700000000 ] - [ 0.0119876300000000, -0.0112913300000000, 0.0079815000000000 ] - [ -0.0090479700000000, 0.0110097200000000, -0.0062791000000000 ] - [ -0.0032876800000000, 0.0019437200000000, -0.0011642500000000 ] - [ 0.0029302200000000, -0.0060200100000000, 0.0007953000000000 ] - [ -0.0034979500000000, -0.0040917400000000, 0.0022209500000000 ] - [ -0.0006981500000000, -0.0000639200000000, 0.0015193200000000 ] - [ 0.0032058900000000, -0.0020212100000000, 0.0002565400000000 ] - [ -0.0034079000000000, -0.0040435500000000, 0.0021445400000000 ] - [ 0.0002061600000000, 0.0002656100000000, 0.0005665300000000 ] - [ 0.0035728700000000, 0.0070481700000000, -0.0039531600000000 ] - [ -0.0033883300000000, 0.0022864700000000, 0.0011904800000000 ] - [ -0.0010438800000000, -0.0010184800000000, 0.0008636300000000 ] - [ 0.0025748900000000, 0.0005153300000000, -0.0021853200000000 ] - [ -0.0026746700000000, 0.0016816000000000, 0.0006607300000000 ] - [ 0.0004055200000000, -0.0004511600000000, -0.0015245100000000 ] - [ 0.0030369300000000, 0.0017079000000000, 0.0019644700000000 ] - [ -0.0003342000000000, -0.0014359300000000, 0.0009789800000000 ] - [ -0.0031238400000000, -0.0024129300000000, -0.0015072300000000 ] - [ 0.0037611000000000, 0.0011423200000000, 0.0028857300000000 ] - [ -0.0008097700000000, -0.0010433200000000, 0.0004061800000000 ] - [ -0.0025638900000000, -0.0012237700000000, -0.0005485700000000 ] - [ 0.0038103300000000, -0.0022262000000000, 0.0014183600000000 ] - [ -0.0025316600000000, 0.0001428600000000, -0.0020139000000000 ] - [ -0.0007942400000000, -0.0000322100000000, -0.0010686200000000 ] - [ 0.0030838300000000, -0.0027894900000000, 0.0004975200000000 ] - [ -0.0030950400000000, 0.0013381200000000, -0.0029766300000000 ] - [ -0.0003169100000000, 0.0003581100000000, -0.0004949300000000 ] - [ 0.0035915000000000, -0.0060024800000000, -0.0024819600000000 ] - [ -0.0010199100000000, 0.0021126600000000, 0.0023332600000000 ] - [ -0.0033397700000000, -0.0011999700000000, 0.0026584100000000 ] - [ 0.0025992000000000, 0.0005669000000000, -0.0007193000000000 ] - [ 0.0004323700000000, 0.0015376900000000, -0.0000590000000000 ] - [ -0.0026284600000000, -0.0005981900000000, 0.0021298000000000 ] - [ 0.0103830800000000, -0.0021364500000000, -0.0140343800000000 ] - [ -0.0080846500000000, 0.0005421700000000, 0.0096371700000000 ] - [ -0.0058864900000000, 0.0012252500000000, 0.0036983500000000 ] - [ 0.0272881600000000, 0.0058279800000000, -0.0173503700000000 ] - [ -0.0101398800000000, -0.0026670600000000, -0.0000716200000000 ] - [ -0.0083118700000000, 0.0015759900000000, 0.0060568900000000 ] - [ 0.0139348700000000, -0.0014194000000000, -0.0083416500000000 ] - [ -0.0082395700000000, -0.0030576100000000, -0.0056252600000000 ] - [ -0.0090855000000000, 0.0034695200000000, -0.0022879600000000 ] - [ 0.0103500100000000, -0.0002571100000000, 0.0095758600000000 ] - [ -0.0057446300000000, -0.0011079900000000, -0.0038797900000000 ] - [ -0.0066828100000000, -0.0010463600000000, -0.0078891000000000 ] - [ 0.0134462300000000, 0.0031489500000000, -0.0072662200000000 ] - [ -0.0090783600000000, -0.0024183700000000, -0.0007775900000000 ] - [ -0.0082710300000000, 0.0041320000000000, -0.0041572000000000 ] - [ 0.0103178100000000, 0.0013511700000000, 0.0110713100000000 ] - [ -0.0066895600000000, 0.0021211400000000, -0.0064035900000000 ] - [ -0.0057781300000000, 0.0021899800000000, -0.0024165900000000 ] - [ 0.0284988400000000, -0.0066551300000000, -0.0208703200000000 ] - [ -0.0083618100000000, -0.0026628300000000, 0.0045931500000000 ] - [ -0.0101605500000000, 0.0015570800000000, -0.0014909500000000 ] - [ 0.0103521000000000, 0.0010400000000000, -0.0155355200000000 ] - [ -0.0059313400000000, -0.0023098800000000, 0.0022260000000000 ] - [ -0.0081200300000000, -0.0016379400000000, 0.0081545100000000 ] - [ -0.0355769900000000, 0.0001460800000000, -0.0100987600000000 ] - [ 0.0071417000000000, 0.0046824400000000, -0.0007435500000000 ] - [ 0.0071455000000000, -0.0043301300000000, -0.0007461600000000 ] - [ -0.0127604300000000, 0.0001675600000000, 0.0035045400000000 ] - [ 0.0054566800000000, 0.0026714900000000, -0.0017555600000000 ] - [ 0.0054654400000000, -0.0023289200000000, -0.0017560300000000 ] - [ 0.0150091800000000, 0.0068335400000000, 0.0291129600000000 ] - [ 0.0113410200000000, -0.0206921600000000, -0.0187588700000000 ] - [ 0.0074384900000000, -0.0008733900000000, 0.0011739100000000 ] - [ 0.0112958000000000, 0.0202806000000000, -0.0186287600000000 ] - [ 0.0150050400000000, -0.0072186600000000, 0.0292409100000000 ] - [ 0.0074409600000000, 0.0005294900000000, 0.0011797500000000 ] - [ -0.0094953400000000, -0.0014479400000000, -0.0010569300000000 ] - [ 0.0041775000000000, 0.0027868700000000, 0.0006434900000000 ] - [ 0.0042306300000000, -0.0027078900000000, 0.0013372600000000 ] - [ -0.0094918000000000, 0.0011004400000000, -0.0010548100000000 ] - [ 0.0042225400000000, 0.0023589000000000, 0.0013369000000000 ] - [ 0.0041858800000000, -0.0031346200000000, 0.0006424400000000 ] - [ 0.0149752800000000, 0.0291901300000000, -0.0094310200000000 ] - [ 0.0149635000000000, -0.0289712000000000, -0.0094351800000000 ] - [ 0.0069866300000000, 0.0001698600000000, -0.0014311800000000 ] - [ -0.0010903500000000, 0.0019900200000000, 0.0008480000000000 ] - [ -0.0010986100000000, -0.0016451200000000, 0.0008459900000000 ] - [ 0.0049807700000000, 0.0001728700000000, 0.0003532000000000 ] - [ -0.3253976500000000, 0.0017969200000000, -0.0342057700000000 ] - [ 0.0298574700000000, 0.0008384800000000, -0.0010884500000000 ] - [ 0.0297428800000000, -0.0017568300000000, -0.0010809300000000 ] - [ -0.0343050900000000, -0.0004628400000000, 0.0021399800000000 ] - [ 0.0131741900000000, -0.0032075000000000, -0.0022497600000000 ] - [ 0.0131772400000000, 0.0022606800000000, -0.0022528700000000 ] - [ 0.0197936000000000, -0.0116323900000000, 0.0403358000000000 ] - [ 0.0197456300000000, 0.0398777500000000, -0.0298384900000000 ] - [ 0.0163484600000000, 0.0011194500000000, 0.0015228100000000 ] - [ 0.0197946300000000, -0.0389081900000000, -0.0297755600000000 ] - [ 0.0197453800000000, 0.0126747200000000, 0.0403779800000000 ] - [ 0.0163500500000000, -0.0001564400000000, 0.0015293100000000 ] - [ -0.0214169000000000, 0.0021173300000000, -0.0003097200000000 ] - [ 0.0057613200000000, -0.0023152700000000, -0.0015038200000000 ] - [ 0.0082870500000000, 0.0061788000000000, 0.0033681400000000 ] - [ -0.0213645500000000, -0.0011371300000000, -0.0003242400000000 ] - [ 0.0082963200000000, -0.0052483700000000, 0.0033852300000000 ] - [ 0.0057629300000000, 0.0032632800000000, -0.0014981400000000 ] - [ -0.0012978100000000, -0.0025404700000000, -0.0022911100000000 ] - [ -0.0013149900000000, 0.0015839300000000, -0.0022865400000000 ] - [ 0.0086735100000000, -0.0004825300000000, -0.0008970400000000 ] - [ -0.0036061800000000, -0.0026880000000000, 0.0002902900000000 ] - [ -0.0036164900000000, 0.0017205600000000, 0.0002907700000000 ] - [ 0.0081813500000000, -0.0004801600000000, 0.0008091200000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0077737900000000, -0.0013806500000000, 0.0102478100000000 ] - [ -0.0002051100000000, 0.0011210300000000, 0.0009533500000000 ] - [ 0.0073723900000000, -0.0044934900000000, 0.0003471900000000 ] - [ 0.0023088400000000, -0.0042160900000000, -0.0052502500000000 ] - [ -0.0014045800000000, 0.0013875400000000, 0.0008947600000000 ] - [ 0.0018946300000000, -0.0002114600000000, 0.0005075900000000 ] - [ 0.0479833400000000, 0.0691360700000000, 0.0357621300000000 ] - [ 0.0097774400000000, 0.0059580300000000, -0.0037439300000000 ] - [ 0.0006217800000000, -0.0000338800000000, -0.0008816000000000 ] - [ 0.0013737500000000, 0.0030454000000000, 0.0007717900000000 ] - [ 0.0023053800000000, 0.0017762700000000, 0.0004894500000000 ] - [ 0.0013705500000000, 0.0001009100000000, -0.0001223400000000 ] - [ -0.0479833400000000, 0.0691360700000000, -0.0357621300000000 ] - [ -0.0006217800000000, -0.0000338800000000, 0.0008816000000000 ] - [ -0.0097774400000000, 0.0059580300000000, 0.0037439300000000 ] - [ -0.0013737500000000, 0.0030454000000000, -0.0007717900000000 ] - [ -0.0013705500000000, 0.0001009100000000, 0.0001223400000000 ] - [ -0.0023053800000000, 0.0017762700000000, -0.0004894500000000 ] - [ -0.0023088400000000, -0.0042160900000000, 0.0052502500000000 ] - [ -0.0018946300000000, -0.0002114600000000, -0.0005075900000000 ] - [ 0.0014045800000000, 0.0013875400000000, -0.0008947600000000 ] - [ 0.0077737900000000, -0.0013806500000000, -0.0102478100000000 ] - [ -0.0073723900000000, -0.0044934900000000, -0.0003471900000000 ] - [ 0.0002051100000000, 0.0011210300000000, -0.0009533500000000 ] - [ 0.0039803700000000, -0.0131827200000000, -0.0023143500000000 ] - [ 0.0009600200000000, -0.0053602500000000, -0.0012509000000000 ] - [ 0.0014603500000000, -0.0037848000000000, -0.0016961400000000 ] - [ 0.0019773700000000, -0.0063906000000000, -0.0020860100000000 ] - [ 0.0008521600000000, -0.0049499200000000, -0.0023092600000000 ] - [ 0.0007363600000000, -0.0033142400000000, -0.0013921600000000 ] - [ 0.0011789200000000, -0.0085693300000000, -0.0116034200000000 ] - [ 0.0005459000000000, 0.0022786400000000, 0.0009359800000000 ] - [ -0.0116661000000000, -0.0056066200000000, -0.0040107700000000 ] - [ 0.0012479600000000, -0.0011722900000000, 0.0092043800000000 ] - [ 0.0011895300000000, 0.0032297200000000, 0.0019127900000000 ] - [ -0.0019227800000000, 0.0017441800000000, 0.0018442400000000 ] - [ -0.0012479600000000, -0.0011722900000000, -0.0092043800000000 ] - [ 0.0019227800000000, 0.0017441800000000, -0.0018442400000000 ] - [ -0.0011895300000000, 0.0032297200000000, -0.0019127900000000 ] - [ -0.0011789200000000, -0.0085693300000000, 0.0116034200000000 ] - [ 0.0116661000000000, -0.0056066200000000, 0.0040107700000000 ] - [ -0.0005459000000000, 0.0022786400000000, -0.0009359800000000 ] - [ -0.0039803700000000, -0.0131827200000000, 0.0023143500000000 ] - [ -0.0014603500000000, -0.0037848000000000, 0.0016961400000000 ] - [ -0.0009600200000000, -0.0053602500000000, 0.0012509000000000 ] - [ -0.0019773700000000, -0.0063906000000000, 0.0020860100000000 ] - [ -0.0007363600000000, -0.0033142400000000, 0.0013921600000000 ] - [ -0.0008521600000000, -0.0049499200000000, 0.0023092600000000 ] - [ 0.0031159100000000, -0.0119096300000000, -0.0012735200000000 ] - [ 0.0011378800000000, -0.0004909700000000, -0.0016241600000000 ] - [ -0.0021945400000000, -0.0027377800000000, 0.0003695900000000 ] - [ 0.0028265600000000, -0.0028052100000000, -0.0038864400000000 ] - [ 0.0004406700000000, 0.0000743500000000, -0.0011873200000000 ] - [ -0.0007661300000000, -0.0010949500000000, -0.0013522700000000 ] - [ -0.0020999200000000, -0.0066498600000000, -0.0014763500000000 ] - [ 0.0004034400000000, -0.0021877600000000, 0.0008698000000000 ] - [ -0.0010594200000000, -0.0028874900000000, -0.0001285300000000 ] - [ -0.0017068900000000, -0.0065875100000000, -0.0005532300000000 ] - [ 0.0003760800000000, -0.0034725100000000, 0.0007964300000000 ] - [ -0.0003972500000000, -0.0018421100000000, 0.0004538200000000 ] - [ 0.0017068900000000, -0.0065875100000000, 0.0005532300000000 ] - [ 0.0003972500000000, -0.0018421100000000, -0.0004538200000000 ] - [ -0.0003760800000000, -0.0034725100000000, -0.0007964300000000 ] - [ 0.0020999200000000, -0.0066498600000000, 0.0014763500000000 ] - [ 0.0010594200000000, -0.0028874900000000, 0.0001285300000000 ] - [ -0.0004034400000000, -0.0021877600000000, -0.0008698000000000 ] - [ -0.0031159100000000, -0.0119096300000000, 0.0012735200000000 ] - [ 0.0021945400000000, -0.0027377800000000, -0.0003695900000000 ] - [ -0.0011378800000000, -0.0004909700000000, 0.0016241600000000 ] - [ -0.0028265600000000, -0.0028052100000000, 0.0038864400000000 ] - [ 0.0007661300000000, -0.0010949500000000, 0.0013522700000000 ] - [ -0.0004406700000000, 0.0000743500000000, 0.0011873200000000 ] - [ -0.0014712700000000, 0.0128735700000000, 0.0021792600000000 ] - [ -0.0004825800000000, 0.0028165900000000, 0.0005833300000000 ] - [ 0.0007226300000000, 0.0004591500000000, 0.0003015500000000 ] - [ -0.0133268500000000, 0.0185315200000000, 0.0176733400000000 ] - [ -0.0018846300000000, 0.0139557500000000, 0.0036814600000000 ] - [ -0.0004777700000000, 0.0010610600000000, 0.0013214300000000 ] - [ -0.0002784600000000, 0.0352721500000000, -0.0077233000000000 ] - [ -0.0000987300000000, 0.0025899400000000, -0.0003231500000000 ] - [ 0.0043341900000000, 0.0034761600000000, -0.0012005900000000 ] - [ 0.0001534500000000, 0.0031787900000000, 0.0006130000000000 ] - [ -0.0011461900000000, 0.0010069300000000, -0.0016630000000000 ] - [ 0.0082066200000000, 0.0052351000000000, 0.0083142700000000 ] - [ 0.0002784600000000, 0.0352721500000000, 0.0077233000000000 ] - [ -0.0043341900000000, 0.0034761600000000, 0.0012005900000000 ] - [ 0.0000987300000000, 0.0025899400000000, 0.0003231500000000 ] - [ -0.0001534500000000, 0.0031787900000000, -0.0006130000000000 ] - [ -0.0082066200000000, 0.0052351000000000, -0.0083142700000000 ] - [ 0.0011461900000000, 0.0010069300000000, 0.0016630000000000 ] - [ 0.0133268500000000, 0.0185315200000000, -0.0176733400000000 ] - [ 0.0004777700000000, 0.0010610600000000, -0.0013214300000000 ] - [ 0.0018846300000000, 0.0139557500000000, -0.0036814600000000 ] - [ 0.0014712700000000, 0.0128735700000000, -0.0021792600000000 ] - [ -0.0007226300000000, 0.0004591500000000, -0.0003015500000000 ] - [ 0.0004825800000000, 0.0028165900000000, -0.0005833300000000 ] - [ 0.0000000000000000, 0.0606086200000000, 0.0000000000000000 ] - [ 0.0042195100000000, 0.0020027400000000, -0.0022776700000000 ] - [ -0.0042195100000000, 0.0020027400000000, 0.0022776700000000 ] - [ 0.0000000000000000, 0.0021838300000000, 0.0000000000000000 ] - [ 0.0021315100000000, 0.0033602800000000, 0.0005074900000000 ] - [ -0.0021315100000000, 0.0033602800000000, -0.0005074900000000 ] - [ 0.0209140500000000, -0.0093419400000000, 0.0264268700000000 ] - [ -0.0064531900000000, -0.0072392700000000, 0.0082102200000000 ] - [ 0.0000656500000000, -0.0021572100000000, 0.0006223800000000 ] - [ 0.0064531900000000, -0.0072392700000000, -0.0082102200000000 ] - [ -0.0209140500000000, -0.0093419400000000, -0.0264268700000000 ] - [ -0.0000656500000000, -0.0021572100000000, -0.0006223800000000 ] - [ 0.0008367800000000, 0.0099915300000000, -0.0014476100000000 ] - [ 0.0009814100000000, 0.0023986000000000, 0.0000799500000000 ] - [ -0.0021658500000000, 0.0048897600000000, -0.0013085200000000 ] - [ -0.0008367800000000, 0.0099915300000000, 0.0014476100000000 ] - [ 0.0021658500000000, 0.0048897600000000, 0.0013085200000000 ] - [ -0.0009814100000000, 0.0023986000000000, -0.0000799500000000 ] - [ 0.0270951700000000, 0.0252538600000000, -0.0096763700000000 ] - [ -0.0270951700000000, 0.0252538600000000, 0.0096763700000000 ] - [ 0.0000000000000000, -0.0010379800000000, 0.0000000000000000 ] - [ 0.0032451600000000, -0.0024500200000000, 0.0019166300000000 ] - [ -0.0032451600000000, -0.0024500200000000, -0.0019166300000000 ] - [ 0.0000000000000000, -0.0014759400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.3253451100000000, 0.0000000000000000 ] - [ -0.0013142100000000, -0.0124410200000000, -0.0028025200000000 ] - [ 0.0013142100000000, -0.0124410200000000, 0.0028025200000000 ] - [ 0.0000000000000000, -0.0122399400000000, 0.0000000000000000 ] - [ 0.0027320900000000, -0.0078632900000000, 0.0014211000000000 ] - [ -0.0027320900000000, -0.0078632900000000, -0.0014211000000000 ] - [ -0.0395528100000000, -0.0053669400000000, -0.0451434800000000 ] - [ 0.0121510900000000, -0.0054592900000000, -0.0114000000000000 ] - [ -0.0006413500000000, -0.0003207100000000, 0.0014628100000000 ] - [ -0.0121510900000000, -0.0054592900000000, 0.0114000000000000 ] - [ 0.0395528100000000, -0.0053669400000000, 0.0451434800000000 ] - [ 0.0006413500000000, -0.0003207100000000, -0.0014628100000000 ] - [ 0.0015522800000000, 0.0231019100000000, 0.0127986700000000 ] - [ -0.0027785500000000, 0.0020793800000000, 0.0012012400000000 ] - [ 0.0057216300000000, 0.0055641500000000, 0.0025466200000000 ] - [ -0.0015522800000000, 0.0231019100000000, -0.0127986700000000 ] - [ -0.0057216300000000, 0.0055641500000000, -0.0025466200000000 ] - [ 0.0027785500000000, 0.0020793800000000, -0.0012012400000000 ] - [ 0.0020280300000000, 0.0158149400000000, 0.0008540000000000 ] - [ -0.0020280300000000, 0.0158149400000000, -0.0008540000000000 ] - [ 0.0000000000000000, 0.0035577700000000, 0.0000000000000000 ] - [ 0.0021859300000000, 0.0088763100000000, 0.0006845600000000 ] - [ -0.0021859300000000, 0.0088763100000000, -0.0006845600000000 ] - [ 0.0000000000000000, 0.0024077000000000, 0.0000000000000000 ]- atom: 121 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0079078000000000, 0.0049072400000000, -0.0080424600000000 ] - [ 0.0004468200000000, 0.0024059300000000, 0.0011043000000000 ] - [ -0.0071008200000000, 0.0080087300000000, 0.0017309700000000 ] - [ -0.0020853500000000, 0.0077262400000000, 0.0072814900000000 ] - [ 0.0016364700000000, 0.0021386100000000, 0.0011647200000000 ] - [ -0.0016359500000000, 0.0037311100000000, 0.0015518600000000 ] - [ -0.0511991800000000, -0.0755507200000000, -0.0401674600000000 ] - [ -0.0094637400000000, -0.0094694600000000, 0.0016894900000000 ] - [ -0.0003808000000000, -0.0034667100000000, -0.0011937400000000 ] - [ -0.0011331700000000, -0.0065887600000000, -0.0027984000000000 ] - [ -0.0020444700000000, -0.0052826100000000, -0.0025503900000000 ] - [ -0.0011211300000000, -0.0035972200000000, -0.0019458100000000 ] - [ 0.0511991800000000, -0.0755507200000000, 0.0401674600000000 ] - [ 0.0003808000000000, -0.0034667100000000, 0.0011937400000000 ] - [ 0.0094637400000000, -0.0094694600000000, -0.0016894900000000 ] - [ 0.0011331700000000, -0.0065887600000000, 0.0027984000000000 ] - [ 0.0011211300000000, -0.0035972200000000, 0.0019458100000000 ] - [ 0.0020444700000000, -0.0052826100000000, 0.0025503900000000 ] - [ 0.0020853500000000, 0.0077262400000000, -0.0072814900000000 ] - [ 0.0016359500000000, 0.0037311100000000, -0.0015518600000000 ] - [ -0.0016364700000000, 0.0021386100000000, -0.0011647200000000 ] - [ -0.0079078000000000, 0.0049072400000000, 0.0080424600000000 ] - [ 0.0071008200000000, 0.0080087300000000, -0.0017309700000000 ] - [ -0.0004468200000000, 0.0024059300000000, -0.0011043000000000 ] - [ -0.0041762800000000, 0.0095582600000000, 0.0002400200000000 ] - [ -0.0012340800000000, 0.0018527100000000, -0.0008079800000000 ] - [ -0.0016984300000000, 0.0002651500000000, -0.0003622100000000 ] - [ -0.0022144300000000, 0.0028855400000000, 0.0000045000000000 ] - [ -0.0011189100000000, 0.0014432300000000, 0.0002437700000000 ] - [ -0.0009779400000000, -0.0002039800000000, -0.0006655000000000 ] - [ -0.0014645000000000, 0.0122456600000000, 0.0137845400000000 ] - [ -0.0007984600000000, 0.0012058200000000, 0.0011275100000000 ] - [ 0.0113295500000000, 0.0090473100000000, 0.0060465100000000 ] - [ -0.0015281800000000, 0.0046255900000000, -0.0071243400000000 ] - [ -0.0014340800000000, 0.0002657600000000, 0.0001609300000000 ] - [ 0.0016722400000000, 0.0017556600000000, 0.0002170800000000 ] - [ 0.0015281800000000, 0.0046255900000000, 0.0071243400000000 ] - [ -0.0016722400000000, 0.0017556600000000, -0.0002170800000000 ] - [ 0.0014340800000000, 0.0002657600000000, -0.0001609300000000 ] - [ 0.0014645000000000, 0.0122456600000000, -0.0137845400000000 ] - [ -0.0113295500000000, 0.0090473100000000, -0.0060465100000000 ] - [ 0.0007984600000000, 0.0012058200000000, -0.0011275100000000 ] - [ 0.0041762800000000, 0.0095582600000000, -0.0002400200000000 ] - [ 0.0016984300000000, 0.0002651500000000, 0.0003622100000000 ] - [ 0.0012340800000000, 0.0018527100000000, 0.0008079800000000 ] - [ 0.0022144300000000, 0.0028855400000000, -0.0000045000000000 ] - [ 0.0009779400000000, -0.0002039800000000, 0.0006655000000000 ] - [ 0.0011189100000000, 0.0014432300000000, -0.0002437700000000 ] - [ -0.0031591000000000, 0.0129199800000000, -0.0001953100000000 ] - [ -0.0011805300000000, 0.0015687100000000, 0.0001519800000000 ] - [ 0.0021930000000000, 0.0038039900000000, -0.0018399300000000 ] - [ -0.0028621700000000, 0.0038863900000000, 0.0024446400000000 ] - [ -0.0004920900000000, 0.0010090900000000, -0.0002772000000000 ] - [ 0.0007580500000000, 0.0021677000000000, -0.0001305900000000 ] - [ 0.0020668700000000, 0.0055650800000000, 0.0029559300000000 ] - [ -0.0004346200000000, 0.0010959700000000, 0.0005961100000000 ] - [ 0.0010245900000000, 0.0017880800000000, 0.0015891700000000 ] - [ 0.0016639200000000, 0.0054912500000000, 0.0020189700000000 ] - [ -0.0004165500000000, 0.0023708700000000, 0.0006580500000000 ] - [ 0.0003724000000000, 0.0007529100000000, 0.0010121600000000 ] - [ -0.0016639200000000, 0.0054912500000000, -0.0020189700000000 ] - [ -0.0003724000000000, 0.0007529100000000, -0.0010121600000000 ] - [ 0.0004165500000000, 0.0023708700000000, -0.0006580500000000 ] - [ -0.0020668700000000, 0.0055650800000000, -0.0029559300000000 ] - [ -0.0010245900000000, 0.0017880800000000, -0.0015891700000000 ] - [ 0.0004346200000000, 0.0010959700000000, -0.0005961100000000 ] - [ 0.0031591000000000, 0.0129199800000000, 0.0001953100000000 ] - [ -0.0021930000000000, 0.0038039900000000, 0.0018399300000000 ] - [ 0.0011805300000000, 0.0015687100000000, -0.0001519800000000 ] - [ 0.0028621700000000, 0.0038863900000000, -0.0024446400000000 ] - [ -0.0007580500000000, 0.0021677000000000, 0.0001305900000000 ] - [ 0.0004920900000000, 0.0010090900000000, 0.0002772000000000 ] - [ 0.0014904000000000, -0.0138846000000000, -0.0006786000000000 ] - [ 0.0005108700000000, -0.0038741100000000, 0.0008743500000000 ] - [ -0.0006733800000000, -0.0015421700000000, 0.0011659700000000 ] - [ 0.0136537700000000, -0.0199822700000000, -0.0165798000000000 ] - [ 0.0018687700000000, -0.0149418000000000, -0.0022107700000000 ] - [ 0.0005140300000000, -0.0021393200000000, 0.0001571500000000 ] - [ 0.0018169600000000, -0.0322575500000000, 0.0073973300000000 ] - [ 0.0001386700000000, -0.0014867300000000, -0.0011314500000000 ] - [ -0.0043264200000000, -0.0023488500000000, -0.0002995000000000 ] - [ -0.0001135800000000, -0.0020554100000000, -0.0021044200000000 ] - [ 0.0011760400000000, 0.0000847800000000, 0.0001968800000000 ] - [ -0.0081796700000000, -0.0041221700000000, -0.0097726100000000 ] - [ -0.0018169600000000, -0.0322575500000000, -0.0073973300000000 ] - [ 0.0043264200000000, -0.0023488500000000, 0.0002995000000000 ] - [ -0.0001386700000000, -0.0014867300000000, 0.0011314500000000 ] - [ 0.0001135800000000, -0.0020554100000000, 0.0021044200000000 ] - [ 0.0081796700000000, -0.0041221700000000, 0.0097726100000000 ] - [ -0.0011760400000000, 0.0000847800000000, -0.0001968800000000 ] - [ -0.0136537700000000, -0.0199822700000000, 0.0165798000000000 ] - [ -0.0005140300000000, -0.0021393200000000, -0.0001571500000000 ] - [ -0.0018687700000000, -0.0149418000000000, 0.0022107700000000 ] - [ -0.0014904000000000, -0.0138846000000000, 0.0006786000000000 ] - [ 0.0006733800000000, -0.0015421700000000, -0.0011659700000000 ] - [ -0.0005108700000000, -0.0038741100000000, -0.0008743500000000 ] - [ 0.0000000000000000, -0.0592017800000000, 0.0000000000000000 ] - [ -0.0041960700000000, -0.0016765100000000, 0.0022690200000000 ] - [ 0.0041960700000000, -0.0016765100000000, -0.0022690200000000 ] - [ 0.0000000000000000, -0.0018708700000000, 0.0000000000000000 ] - [ -0.0021243800000000, -0.0030204400000000, -0.0005052000000000 ] - [ 0.0021243800000000, -0.0030204400000000, 0.0005052000000000 ] - [ -0.0208348400000000, 0.0089893000000000, -0.0262815500000000 ] - [ 0.0063990900000000, 0.0070426700000000, -0.0081565500000000 ] - [ -0.0000646300000000, 0.0018170400000000, -0.0006155000000000 ] - [ -0.0063990900000000, 0.0070426700000000, 0.0081565500000000 ] - [ 0.0208348400000000, 0.0089893000000000, 0.0262815500000000 ] - [ 0.0000646300000000, 0.0018170400000000, 0.0006155000000000 ] - [ -0.0008361800000000, -0.0102990100000000, 0.0014084100000000 ] - [ -0.0009697400000000, -0.0027498100000000, -0.0000857900000000 ] - [ 0.0021513900000000, -0.0052270900000000, 0.0013032000000000 ] - [ 0.0008361800000000, -0.0102990100000000, -0.0014084100000000 ] - [ -0.0021513900000000, -0.0052270900000000, -0.0013032000000000 ] - [ 0.0009697400000000, -0.0027498100000000, 0.0000857900000000 ] - [ -0.0271246400000000, -0.0248304500000000, 0.0095302700000000 ] - [ 0.0271246400000000, -0.0248304500000000, -0.0095302700000000 ] - [ 0.0000000000000000, 0.0013921300000000, 0.0000000000000000 ] - [ -0.0032439900000000, 0.0028154500000000, -0.0019091000000000 ] - [ 0.0032439900000000, 0.0028154500000000, 0.0019091000000000 ] - [ 0.0000000000000000, 0.0018253500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.3258900900000000, 0.0000000000000000 ] - [ 0.0012833000000000, 0.0114391900000000, 0.0027634500000000 ] - [ -0.0012833000000000, 0.0114391900000000, -0.0027634500000000 ] - [ 0.0000000000000000, 0.0112600800000000, 0.0000000000000000 ] - [ -0.0027342200000000, 0.0068956700000000, -0.0014119800000000 ] - [ 0.0027342200000000, 0.0068956700000000, 0.0014119800000000 ] - [ 0.0392361200000000, 0.0062400400000000, 0.0447751900000000 ] - [ -0.0121581800000000, 0.0061458400000000, 0.0113960400000000 ] - [ 0.0006348700000000, 0.0012597600000000, -0.0014469300000000 ] - [ 0.0121581800000000, 0.0061458400000000, -0.0113960400000000 ] - [ -0.0392361200000000, 0.0062400400000000, -0.0447751900000000 ] - [ -0.0006348700000000, 0.0012597600000000, 0.0014469300000000 ] - [ -0.0017033100000000, -0.0221687400000000, -0.0128686100000000 ] - [ 0.0028032200000000, -0.0011037900000000, -0.0012044300000000 ] - [ -0.0057094700000000, -0.0045569300000000, -0.0025332600000000 ] - [ 0.0017033100000000, -0.0221687400000000, 0.0128686100000000 ] - [ 0.0057094700000000, -0.0045569300000000, 0.0025332600000000 ] - [ -0.0028032200000000, -0.0011037900000000, 0.0012044300000000 ] - [ -0.0020932000000000, -0.0166858700000000, -0.0008480400000000 ] - [ 0.0020932000000000, -0.0166858700000000, 0.0008480400000000 ] - [ 0.0000000000000000, -0.0045036700000000, 0.0000000000000000 ] - [ -0.0022215200000000, -0.0098200600000000, -0.0006836600000000 ] - [ 0.0022215200000000, -0.0098200600000000, 0.0006836600000000 ] - [ 0.0000000000000000, -0.0033616100000000, 0.0000000000000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002799000000000, 0.0088824600000000, 0.0044411000000000 ] - [ 0.0019339200000000, 0.0017427700000000, 0.0010803500000000 ] - [ -0.0058465400000000, 0.0064344400000000, 0.0030947900000000 ] - [ 0.0012665300000000, -0.0019227800000000, -0.0043272200000000 ] - [ -0.0006214700000000, 0.0018086400000000, 0.0005335500000000 ] - [ 0.0111064000000000, -0.0070009400000000, -0.0060310900000000 ] - [ 0.0370189100000000, 0.0392749500000000, 0.0369977000000000 ] - [ 0.0045823500000000, -0.0048979200000000, 0.0084177400000000 ] - [ 0.0008568000000000, -0.0010491400000000, 0.0004907500000000 ] - [ -0.0022976300000000, -0.0007873800000000, -0.0125663100000000 ] - [ -0.0021503200000000, -0.0025403700000000, -0.0045691300000000 ] - [ 0.0003310900000000, -0.0015252700000000, -0.0018934400000000 ] - [ 0.0377624300000000, -0.0439590200000000, 0.0390389300000000 ] - [ 0.0006129700000000, -0.0024504600000000, 0.0025664100000000 ] - [ 0.0043137200000000, 0.0014345100000000, 0.0105326500000000 ] - [ -0.0025695900000000, -0.0026848200000000, -0.0104918600000000 ] - [ 0.0000777300000000, -0.0019641500000000, 0.0001732900000000 ] - [ -0.0023836600000000, -0.0009632600000000, -0.0024990100000000 ] - [ 0.0010268800000000, 0.0054107700000000, -0.0064056200000000 ] - [ 0.0108616300000000, 0.0105110800000000, -0.0081119900000000 ] - [ -0.0008618500000000, 0.0017069600000000, -0.0015282200000000 ] - [ 0.0000535000000000, -0.0053720500000000, 0.0023665400000000 ] - [ -0.0061175200000000, -0.0029325700000000, 0.0010436200000000 ] - [ 0.0016870800000000, 0.0017719600000000, -0.0009755800000000 ] - [ -0.0021310900000000, 0.0025608000000000, 0.0020996600000000 ] - [ -0.0011330000000000, 0.0002392900000000, 0.0016738200000000 ] - [ -0.0011809600000000, -0.0010135200000000, 0.0000037000000000 ] - [ 0.0010793500000000, -0.0035374200000000, -0.0039249800000000 ] - [ 0.0000692700000000, -0.0021649600000000, -0.0032430100000000 ] - [ 0.0018508500000000, -0.0033218400000000, -0.0023653400000000 ] - [ 0.0014696600000000, -0.0079942800000000, 0.0043496100000000 ] - [ 0.0002802700000000, 0.0017965200000000, 0.0013320200000000 ] - [ -0.0065535900000000, -0.0030669200000000, -0.0009060700000000 ] - [ -0.0008743300000000, 0.0053080900000000, -0.0047971000000000 ] - [ -0.0008152400000000, 0.0012395700000000, 0.0004867700000000 ] - [ 0.0016808800000000, 0.0037035800000000, 0.0006303200000000 ] - [ -0.0006261300000000, -0.0017958000000000, -0.0068915100000000 ] - [ 0.0019255400000000, -0.0001910400000000, -0.0014417600000000 ] - [ -0.0005653100000000, 0.0022506400000000, -0.0015862900000000 ] - [ 0.0017231900000000, 0.0116138200000000, 0.0023194700000000 ] - [ -0.0062947400000000, 0.0065699700000000, -0.0029562900000000 ] - [ 0.0005330200000000, 0.0016873300000000, -0.0007333700000000 ] - [ -0.0018870500000000, -0.0060695900000000, 0.0041769500000000 ] - [ -0.0009347800000000, -0.0024978100000000, 0.0020615300000000 ] - [ -0.0008736900000000, -0.0037430700000000, 0.0037394300000000 ] - [ 0.0013249000000000, 0.0000410000000000, -0.0018554300000000 ] - [ 0.0020979900000000, -0.0001885500000000, -0.0003088900000000 ] - [ 0.0003328500000000, -0.0013377200000000, -0.0011776300000000 ] - [ -0.0015474600000000, 0.0061830900000000, 0.0015696000000000 ] - [ -0.0008587700000000, 0.0008705300000000, 0.0001939400000000 ] - [ -0.0003078400000000, 0.0015553600000000, 0.0010819800000000 ] - [ 0.0016097200000000, -0.0004231300000000, -0.0037603400000000 ] - [ 0.0003936200000000, 0.0001962000000000, -0.0013966500000000 ] - [ 0.0001739400000000, -0.0003558600000000, -0.0022307900000000 ] - [ -0.0014801900000000, -0.0016212800000000, -0.0014726300000000 ] - [ -0.0000403300000000, 0.0002594000000000, 0.0001621100000000 ] - [ -0.0008483000000000, -0.0013778300000000, -0.0002412900000000 ] - [ 0.0017936800000000, 0.0000657000000000, 0.0030730500000000 ] - [ -0.0001976100000000, -0.0005884500000000, 0.0011953100000000 ] - [ 0.0002990900000000, -0.0003627700000000, 0.0013331500000000 ] - [ 0.0018378900000000, -0.0011445600000000, 0.0015989600000000 ] - [ 0.0003282900000000, -0.0007196700000000, -0.0001341000000000 ] - [ -0.0001757900000000, -0.0004970400000000, -0.0002757700000000 ] - [ -0.0014366100000000, 0.0005389600000000, -0.0029385600000000 ] - [ -0.0008176000000000, 0.0002934700000000, -0.0017057800000000 ] - [ -0.0000153700000000, -0.0013421300000000, -0.0013052400000000 ] - [ -0.0015149100000000, -0.0051439800000000, 0.0030253500000000 ] - [ -0.0002884000000000, -0.0004737900000000, 0.0025470500000000 ] - [ -0.0008120700000000, 0.0002108300000000, 0.0016623500000000 ] - [ 0.0016400800000000, 0.0015152100000000, -0.0022971000000000 ] - [ 0.0001901300000000, 0.0014393200000000, -0.0007554000000000 ] - [ 0.0004421900000000, 0.0008871900000000, 0.0000717900000000 ] - [ 0.0007670900000000, 0.0005446500000000, -0.0148948800000000 ] - [ 0.0120392000000000, -0.0025554400000000, -0.0114630400000000 ] - [ 0.0010613900000000, -0.0015013200000000, -0.0011831500000000 ] - [ -0.0158400100000000, -0.0077238000000000, 0.0464438600000000 ] - [ -0.0101881100000000, -0.0008526000000000, 0.0053480800000000 ] - [ 0.0000358100000000, 0.0001952200000000, 0.0018465400000000 ] - [ -0.0011953300000000, 0.0042759900000000, 0.0072277100000000 ] - [ 0.0007369500000000, 0.0008752700000000, 0.0015369500000000 ] - [ 0.0100385100000000, -0.0014499300000000, 0.0093394200000000 ] - [ -0.0058460200000000, 0.0021224300000000, -0.0160168500000000 ] - [ 0.0008202800000000, 0.0002757100000000, -0.0019130300000000 ] - [ -0.0065098000000000, -0.0010601400000000, -0.0094766000000000 ] - [ -0.0013819100000000, -0.0030330000000000, 0.0087888400000000 ] - [ 0.0100365500000000, 0.0025285700000000, 0.0108228100000000 ] - [ 0.0006975100000000, 0.0002184500000000, 0.0029947400000000 ] - [ -0.0058386200000000, -0.0010930800000000, -0.0145024800000000 ] - [ -0.0065572200000000, 0.0021408300000000, -0.0080195100000000 ] - [ 0.0007939600000000, 0.0008064100000000, -0.0004420400000000 ] - [ -0.0128580500000000, 0.0071737100000000, 0.0415770200000000 ] - [ -0.0000010700000000, -0.0012757800000000, 0.0003666100000000 ] - [ -0.0102058300000000, -0.0002092800000000, 0.0038496100000000 ] - [ 0.0006370000000000, -0.0016793000000000, -0.0164666100000000 ] - [ 0.0010116100000000, 0.0004189400000000, -0.0026487100000000 ] - [ 0.0120019600000000, 0.0014609500000000, -0.0128948100000000 ] - [ -0.0098092800000000, 0.0001447000000000, -0.0264664800000000 ] - [ 0.0004847900000000, -0.0024463500000000, -0.0051056000000000 ] - [ 0.0004838800000000, 0.0027834400000000, -0.0051022700000000 ] - [ 0.0017054700000000, 0.0001871200000000, 0.0098734900000000 ] - [ -0.0013980600000000, 0.0016728200000000, 0.0056376700000000 ] - [ -0.0014027100000000, -0.0013235200000000, 0.0056305600000000 ] - [ 0.0196747900000000, 0.0051898600000000, 0.0190793300000000 ] - [ -0.0220779000000000, 0.0233451900000000, 0.0146944700000000 ] - [ -0.0002421100000000, -0.0004476800000000, -0.0002611800000000 ] - [ -0.0222811000000000, -0.0237947000000000, 0.0147714900000000 ] - [ 0.0197052700000000, -0.0055984600000000, 0.0189981100000000 ] - [ -0.0002423000000000, 0.0001080600000000, -0.0002698600000000 ] - [ 0.0005246800000000, -0.0054217400000000, 0.0013842300000000 ] - [ -0.0021241600000000, -0.0035201000000000, -0.0021081900000000 ] - [ 0.0014524100000000, -0.0021311600000000, 0.0012559300000000 ] - [ 0.0005188800000000, 0.0050829200000000, 0.0013800000000000 ] - [ 0.0014545100000000, 0.0017881000000000, 0.0012558300000000 ] - [ -0.0021222300000000, 0.0031699100000000, -0.0021108700000000 ] - [ 0.0085874900000000, 0.0101531600000000, -0.0150718700000000 ] - [ 0.0084931800000000, -0.0096777000000000, -0.0150272900000000 ] - [ -0.0001668500000000, 0.0001765900000000, -0.0007832600000000 ] - [ 0.0001795200000000, -0.0008156200000000, 0.0048885500000000 ] - [ 0.0002012700000000, 0.0011312600000000, 0.0048766900000000 ] - [ -0.0000001800000000, 0.0001724800000000, 0.0012364600000000 ] - [ -0.0341601500000000, -0.0000900900000000, -0.2569629600000000 ] - [ -0.0010938400000000, 0.0023037100000000, -0.0138310500000000 ] - [ -0.0010748400000000, -0.0032582000000000, -0.0138245600000000 ] - [ 0.0021382200000000, -0.0004616800000000, 0.0437323300000000 ] - [ -0.0022369300000000, -0.0018991300000000, 0.0114270600000000 ] - [ -0.0022646200000000, 0.0009370600000000, 0.0114101100000000 ] - [ 0.0297419100000000, -0.0108740400000000, 0.0263579700000000 ] - [ -0.0403007100000000, -0.0444781000000000, 0.0263454200000000 ] - [ -0.0015282700000000, 0.0019282200000000, -0.0001863300000000 ] - [ -0.0404131400000000, 0.0454432600000000, 0.0262937400000000 ] - [ 0.0298717000000000, 0.0119198500000000, 0.0262782900000000 ] - [ -0.0015255000000000, -0.0009803500000000, -0.0002019900000000 ] - [ -0.0003482400000000, 0.0133016100000000, 0.0053634000000000 ] - [ -0.0014950800000000, 0.0016829900000000, -0.0009087700000000 ] - [ 0.0033761100000000, 0.0030193800000000, 0.0017714100000000 ] - [ -0.0002861300000000, -0.0123647500000000, 0.0053380700000000 ] - [ 0.0033774800000000, -0.0020570900000000, 0.0017643900000000 ] - [ -0.0015065800000000, -0.0007258200000000, -0.0009167500000000 ] - [ 0.0022885600000000, 0.0003778600000000, -0.0076081000000000 ] - [ 0.0022909000000000, -0.0013202700000000, -0.0076037900000000 ] - [ 0.0008959300000000, -0.0004784000000000, -0.0022394600000000 ] - [ -0.0002962200000000, 0.0002023600000000, 0.0056999800000000 ] - [ -0.0002838600000000, -0.0011630100000000, 0.0056997900000000 ] - [ -0.0008102600000000, -0.0004787600000000, 0.0028608300000000 ]