# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/9e476ddb-ea71-4c75-8e6f-96f2d2b7abc4/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 Th2Cu(PO4)3 / C2/c (15) / materials id 6698](https://mdr.nims.go.jp/datasets/f0dc9512-09a0-49b6-99f3-da91bddcf6fc) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "C2/c" number: 15 Hall_symbol: "-C 2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 10.999930500000000, -3.365100000000000, -0.039135035000000 ] # a - [ 10.999930500000000, 3.365100000000000, -0.039135035000000 ] # b - [ -2.113595440000000, 0.000000000000000, 6.703018130000000 ] # c points: - symbol: O # 1 coordinates: [ 0.932095690000000, 0.962032010000000, 0.285189120000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.037967990000000, 0.067904310000000, 0.214810880000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.067904310000000, 0.037967990000000, 0.714810880000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.962032010000000, 0.932095690000000, 0.785189120000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.686434360000000, 0.243037040000000, 0.069582240000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.756962960000000, 0.313565640000000, 0.430417760000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.313565640000000, 0.756962960000000, 0.930417760000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.243037040000000, 0.686434360000000, 0.569582240000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.357723780000000, 0.984515900000000, 0.860938950000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.015484100000000, 0.642276220000000, 0.639061050000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.642276220000000, 0.015484100000000, 0.139061050000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.984515900000000, 0.357723780000000, 0.360938950000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.629748320000000, 0.661777680000000, 0.175147060000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.338222320000000, 0.370251680000000, 0.324852940000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.370251680000000, 0.338222320000000, 0.824852940000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.661777680000000, 0.629748320000000, 0.675147060000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.967386550000000, 0.337987790000000, 0.003560590000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.662012210000000, 0.032613450000000, 0.496439410000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.032613450000000, 0.662012210000000, 0.996439410000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.337987790000000, 0.967386550000000, 0.503560590000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.898475530000000, 0.606657990000000, 0.222718830000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.393342010000000, 0.101524470000000, 0.277281170000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.101524470000000, 0.393342010000000, 0.777281170000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.606657990000000, 0.898475530000000, 0.722718830000000 ] mass: 15.999400 - symbol: P # 25 coordinates: [ 0.857813770000000, 0.142186230000000, 0.250000000000000 ] mass: 30.973762 - symbol: P # 26 coordinates: [ 0.142186230000000, 0.857813770000000, 0.750000000000000 ] mass: 30.973762 - symbol: P # 27 coordinates: [ 0.500648220000000, 0.862824740000000, 0.692669580000000 ] mass: 30.973762 - symbol: P # 28 coordinates: [ 0.137175260000000, 0.499351780000000, 0.807330420000000 ] mass: 30.973762 - symbol: P # 29 coordinates: [ 0.499351780000000, 0.137175260000000, 0.307330420000000 ] mass: 30.973762 - symbol: P # 30 coordinates: [ 0.862824740000000, 0.500648220000000, 0.192669580000000 ] mass: 30.973762 - symbol: Cu # 31 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 63.546000 - symbol: Cu # 32 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 63.546000 - symbol: Th # 33 coordinates: [ 0.716621110000000, 0.004191130000000, 0.847147130000000 ] mass: 232.038060 - symbol: Th # 34 coordinates: [ 0.995808870000000, 0.283378890000000, 0.652852870000000 ] mass: 232.038060 - symbol: Th # 35 coordinates: [ 0.283378890000000, 0.995808870000000, 0.152852870000000 ] mass: 232.038060 - symbol: Th # 36 coordinates: [ 0.004191130000000, 0.716621110000000, 0.347147130000000 ] mass: 232.038060 reciprocal_lattice: # without 2pi - [ 0.045505882534728, -0.148583994532109, 0.014348913273576 ] # a* - [ 0.045505882534728, 0.148583994532109, 0.014348913273576 ] # b* - [ 0.000531364907916, 0.000000000000000, 0.149354077675208 ] # c*unit_cell: lattice: - [ 21.999860999999999, 0.000000000000000, -0.078270070000000 ] # a - [ 0.000000000000000, 6.730200000000000, 0.000000000000000 ] # b - [ -2.113595440000000, 0.000000000000000, 6.703018130000000 ] # c points: - symbol: O # 1 coordinates: [ 0.947063850000000, 0.014968160000000, 0.285189120000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.552936150000000, 0.514968160000000, 0.214810880000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.552936150000000, 0.485031840000000, 0.714810880000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.947063850000000, 0.985031840000000, 0.785189120000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.964735700000000, 0.278301340000000, 0.069582240000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.535264300000000, 0.778301340000000, 0.430417760000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.535264300000000, 0.221698660000000, 0.930417760000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.964735700000000, 0.721698660000000, 0.569582240000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.671119840000000, 0.313396060000000, 0.860938950000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.828880160000000, 0.813396060000000, 0.639061050000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.828880160000000, 0.186603940000000, 0.139061050000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.671119840000000, 0.686603940000000, 0.360938950000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.645763000000000, 0.016014680000000, 0.175147060000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.854237000000000, 0.516014680000000, 0.324852940000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.854237000000000, 0.483985320000000, 0.824852940000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.645763000000000, 0.983985320000000, 0.675147060000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.652687170000000, 0.685300620000000, 0.003560590000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.847312830000000, 0.185300620000000, 0.496439410000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.847312830000000, 0.814699380000000, 0.996439410000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.652687170000000, 0.314699380000000, 0.503560590000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.752566760000000, 0.854091230000000, 0.222718830000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.747433240000000, 0.354091230000000, 0.277281170000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.747433240000000, 0.645908770000000, 0.777281170000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.752566760000000, 0.145908770000000, 0.722718830000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.447063850000000, 0.514968160000000, 0.285189120000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 26 coordinates: [ 0.052936150000000, 0.014968160000000, 0.214810880000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 27 coordinates: [ 0.052936150000000, 0.985031840000000, 0.714810880000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 28 coordinates: [ 0.447063850000000, 0.485031840000000, 0.785189120000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 29 coordinates: [ 0.464735700000000, 0.778301340000000, 0.069582240000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 30 coordinates: [ 0.035264300000000, 0.278301340000000, 0.430417760000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 31 coordinates: [ 0.035264300000000, 0.721698660000000, 0.930417760000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 32 coordinates: [ 0.464735700000000, 0.221698660000000, 0.569582240000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 33 coordinates: [ 0.171119840000000, 0.813396060000000, 0.860938950000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 34 coordinates: [ 0.328880160000000, 0.313396060000000, 0.639061050000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 35 coordinates: [ 0.328880160000000, 0.686603940000000, 0.139061050000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 36 coordinates: [ 0.171119840000000, 0.186603940000000, 0.360938950000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 37 coordinates: [ 0.145763000000000, 0.516014680000000, 0.175147060000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 38 coordinates: [ 0.354237000000000, 0.016014680000000, 0.324852940000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 39 coordinates: [ 0.354237000000000, 0.983985320000000, 0.824852940000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 40 coordinates: [ 0.145763000000000, 0.483985320000000, 0.675147060000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 41 coordinates: [ 0.152687170000000, 0.185300620000000, 0.003560590000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 42 coordinates: [ 0.347312830000000, 0.685300620000000, 0.496439410000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 43 coordinates: [ 0.347312830000000, 0.314699380000000, 0.996439410000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 44 coordinates: [ 0.152687170000000, 0.814699380000000, 0.503560590000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 45 coordinates: [ 0.252566760000000, 0.354091230000000, 0.222718830000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 46 coordinates: [ 0.247433240000000, 0.854091230000000, 0.277281170000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 47 coordinates: [ 0.247433240000000, 0.145908770000000, 0.777281170000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 48 coordinates: [ 0.252566760000000, 0.645908770000000, 0.722718830000000 ] mass: 15.999400 reduced_to: 24 - symbol: P # 49 coordinates: [ 0.500000000000000, 0.642186230000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 49 - symbol: P # 50 coordinates: [ 0.500000000000000, 0.357813770000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 50 - symbol: P # 51 coordinates: [ 0.681736480000000, 0.181088260000000, 0.692669580000000 ] mass: 30.973762 reduced_to: 51 - symbol: P # 52 coordinates: [ 0.818263520000000, 0.681088260000000, 0.807330420000000 ] mass: 30.973762 reduced_to: 52 - symbol: P # 53 coordinates: [ 0.818263520000000, 0.318911740000000, 0.307330420000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 54 coordinates: [ 0.681736480000000, 0.818911740000000, 0.192669580000000 ] mass: 30.973762 reduced_to: 54 - symbol: P # 55 coordinates: [ 0.000000000000000, 0.142186230000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 49 - symbol: P # 56 coordinates: [ 0.000000000000000, 0.857813770000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 50 - symbol: P # 57 coordinates: [ 0.181736480000000, 0.681088260000000, 0.692669580000000 ] mass: 30.973762 reduced_to: 51 - symbol: P # 58 coordinates: [ 0.318263520000000, 0.181088260000000, 0.807330420000000 ] mass: 30.973762 reduced_to: 52 - symbol: P # 59 coordinates: [ 0.318263520000000, 0.818911740000000, 0.307330420000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 60 coordinates: [ 0.181736480000000, 0.318911740000000, 0.192669580000000 ] mass: 30.973762 reduced_to: 54 - symbol: Cu # 61 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 61 - symbol: Cu # 62 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 62 - symbol: Cu # 63 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 61 - symbol: Cu # 64 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 62 - symbol: Th # 65 coordinates: [ 0.860406120000000, 0.143785010000000, 0.847147130000000 ] mass: 232.038060 reduced_to: 65 - symbol: Th # 66 coordinates: [ 0.639593880000000, 0.643785010000000, 0.652852870000000 ] mass: 232.038060 reduced_to: 66 - symbol: Th # 67 coordinates: [ 0.639593880000000, 0.356214990000000, 0.152852870000000 ] mass: 232.038060 reduced_to: 67 - symbol: Th # 68 coordinates: [ 0.860406120000000, 0.856214990000000, 0.347147130000000 ] mass: 232.038060 reduced_to: 68 - symbol: Th # 69 coordinates: [ 0.360406120000000, 0.643785010000000, 0.847147130000000 ] mass: 232.038060 reduced_to: 65 - symbol: Th # 70 coordinates: [ 0.139593880000000, 0.143785010000000, 0.652852870000000 ] mass: 232.038060 reduced_to: 66 - symbol: Th # 71 coordinates: [ 0.139593880000000, 0.856214990000000, 0.152852870000000 ] mass: 232.038060 reduced_to: 67 - symbol: Th # 72 coordinates: [ 0.360406120000000, 0.356214990000000, 0.347147130000000 ] mass: 232.038060 reduced_to: 68supercell: lattice: - [ 21.999860999999999, 0.000000000000000, -0.078270070000000 ] # a - [ 0.000000000000000, 13.460400000000000, 0.000000000000000 ] # b - [ -2.113595440000000, 0.000000000000000, 6.703018130000000 ] # c points: - symbol: O # 1 coordinates: [ 0.947063850000000, 0.007484080000000, 0.285189120000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.947063850000000, 0.507484080000000, 0.285189120000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.552936150000000, 0.257484080000000, 0.214810880000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.552936150000000, 0.757484080000000, 0.214810880000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 5 coordinates: [ 0.552936150000000, 0.242515920000000, 0.714810880000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.552936150000000, 0.742515920000000, 0.714810880000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.947063850000000, 0.492515920000000, 0.785189120000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.947063850000000, 0.992515920000000, 0.785189120000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.964735700000000, 0.139150670000000, 0.069582240000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.964735700000000, 0.639150670000000, 0.069582240000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.535264300000000, 0.389150670000000, 0.430417760000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.535264300000000, 0.889150670000000, 0.430417760000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.535264300000000, 0.110849330000000, 0.930417760000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.535264300000000, 0.610849330000000, 0.930417760000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.964735700000000, 0.360849330000000, 0.569582240000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.964735700000000, 0.860849330000000, 0.569582240000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.671119840000000, 0.156698030000000, 0.860938950000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.671119840000000, 0.656698030000000, 0.860938950000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.828880160000000, 0.406698030000000, 0.639061050000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.828880160000000, 0.906698030000000, 0.639061050000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.828880160000000, 0.093301970000000, 0.139061050000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.828880160000000, 0.593301970000000, 0.139061050000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.671119840000000, 0.343301970000000, 0.360938950000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.671119840000000, 0.843301970000000, 0.360938950000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.645763000000000, 0.008007340000000, 0.175147060000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.645763000000000, 0.508007340000000, 0.175147060000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.854237000000000, 0.258007340000000, 0.324852940000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.854237000000000, 0.758007340000000, 0.324852940000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.854237000000000, 0.241992660000000, 0.824852940000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.854237000000000, 0.741992660000000, 0.824852940000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.645763000000000, 0.491992660000000, 0.675147060000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.645763000000000, 0.991992660000000, 0.675147060000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.652687170000000, 0.342650310000000, 0.003560590000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.652687170000000, 0.842650310000000, 0.003560590000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.847312830000000, 0.092650310000000, 0.496439410000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.847312830000000, 0.592650310000000, 0.496439410000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.847312830000000, 0.407349690000000, 0.996439410000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.847312830000000, 0.907349690000000, 0.996439410000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.652687170000000, 0.157349690000000, 0.503560590000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.652687170000000, 0.657349690000000, 0.503560590000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.752566760000000, 0.427045615000000, 0.222718830000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.752566760000000, 0.927045615000000, 0.222718830000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.747433240000000, 0.177045615000000, 0.277281170000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.747433240000000, 0.677045615000000, 0.277281170000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.747433240000000, 0.322954385000000, 0.777281170000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.747433240000000, 0.822954385000000, 0.777281170000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.752566760000000, 0.072954385000000, 0.722718830000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.752566760000000, 0.572954385000000, 0.722718830000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.447063850000000, 0.257484080000000, 0.285189120000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 50 coordinates: [ 0.447063850000000, 0.757484080000000, 0.285189120000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 51 coordinates: [ 0.052936150000000, 0.007484080000000, 0.214810880000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 52 coordinates: [ 0.052936150000000, 0.507484080000000, 0.214810880000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 53 coordinates: [ 0.052936150000000, 0.492515920000000, 0.714810880000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 54 coordinates: [ 0.052936150000000, 0.992515920000000, 0.714810880000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 55 coordinates: [ 0.447063850000000, 0.242515920000000, 0.785189120000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 56 coordinates: [ 0.447063850000000, 0.742515920000000, 0.785189120000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 57 coordinates: [ 0.464735700000000, 0.389150670000000, 0.069582240000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 58 coordinates: [ 0.464735700000000, 0.889150670000000, 0.069582240000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 59 coordinates: [ 0.035264300000000, 0.139150670000000, 0.430417760000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 60 coordinates: [ 0.035264300000000, 0.639150670000000, 0.430417760000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 61 coordinates: [ 0.035264300000000, 0.360849330000000, 0.930417760000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 62 coordinates: [ 0.035264300000000, 0.860849330000000, 0.930417760000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 63 coordinates: [ 0.464735700000000, 0.110849330000000, 0.569582240000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 64 coordinates: [ 0.464735700000000, 0.610849330000000, 0.569582240000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 65 coordinates: [ 0.171119840000000, 0.406698030000000, 0.860938950000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 66 coordinates: [ 0.171119840000000, 0.906698030000000, 0.860938950000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 67 coordinates: [ 0.328880160000000, 0.156698030000000, 0.639061050000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 68 coordinates: [ 0.328880160000000, 0.656698030000000, 0.639061050000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 69 coordinates: [ 0.328880160000000, 0.343301970000000, 0.139061050000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 70 coordinates: [ 0.328880160000000, 0.843301970000000, 0.139061050000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 71 coordinates: [ 0.171119840000000, 0.093301970000000, 0.360938950000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 72 coordinates: [ 0.171119840000000, 0.593301970000000, 0.360938950000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 73 coordinates: [ 0.145763000000000, 0.258007340000000, 0.175147060000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 74 coordinates: [ 0.145763000000000, 0.758007340000000, 0.175147060000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 75 coordinates: [ 0.354237000000000, 0.008007340000000, 0.324852940000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 76 coordinates: [ 0.354237000000000, 0.508007340000000, 0.324852940000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 77 coordinates: [ 0.354237000000000, 0.491992660000000, 0.824852940000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 78 coordinates: [ 0.354237000000000, 0.991992660000000, 0.824852940000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 79 coordinates: [ 0.145763000000000, 0.241992660000000, 0.675147060000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 80 coordinates: [ 0.145763000000000, 0.741992660000000, 0.675147060000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 81 coordinates: [ 0.152687170000000, 0.092650310000000, 0.003560590000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 82 coordinates: [ 0.152687170000000, 0.592650310000000, 0.003560590000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 83 coordinates: [ 0.347312830000000, 0.342650310000000, 0.496439410000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 84 coordinates: [ 0.347312830000000, 0.842650310000000, 0.496439410000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 85 coordinates: [ 0.347312830000000, 0.157349690000000, 0.996439410000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 86 coordinates: [ 0.347312830000000, 0.657349690000000, 0.996439410000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 87 coordinates: [ 0.152687170000000, 0.407349690000000, 0.503560590000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 88 coordinates: [ 0.152687170000000, 0.907349690000000, 0.503560590000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 89 coordinates: [ 0.252566760000000, 0.177045615000000, 0.222718830000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 90 coordinates: [ 0.252566760000000, 0.677045615000000, 0.222718830000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 91 coordinates: [ 0.247433240000000, 0.427045615000000, 0.277281170000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 92 coordinates: [ 0.247433240000000, 0.927045615000000, 0.277281170000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 93 coordinates: [ 0.247433240000000, 0.072954385000000, 0.777281170000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 94 coordinates: [ 0.247433240000000, 0.572954385000000, 0.777281170000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 95 coordinates: [ 0.252566760000000, 0.322954385000000, 0.722718830000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 96 coordinates: [ 0.252566760000000, 0.822954385000000, 0.722718830000000 ] mass: 15.999400 reduced_to: 47 - symbol: P # 97 coordinates: [ 0.500000000000000, 0.321093115000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 97 - symbol: P # 98 coordinates: [ 0.500000000000000, 0.821093115000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 97 - symbol: P # 99 coordinates: [ 0.500000000000000, 0.178906885000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 99 - symbol: P # 100 coordinates: [ 0.500000000000000, 0.678906885000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 99 - symbol: P # 101 coordinates: [ 0.681736480000000, 0.090544130000000, 0.692669580000000 ] mass: 30.973762 reduced_to: 101 - symbol: P # 102 coordinates: [ 0.681736480000000, 0.590544130000000, 0.692669580000000 ] mass: 30.973762 reduced_to: 101 - symbol: P # 103 coordinates: [ 0.818263520000000, 0.340544130000000, 0.807330420000000 ] mass: 30.973762 reduced_to: 103 - symbol: P # 104 coordinates: [ 0.818263520000000, 0.840544130000000, 0.807330420000000 ] mass: 30.973762 reduced_to: 103 - symbol: P # 105 coordinates: [ 0.818263520000000, 0.159455870000000, 0.307330420000000 ] mass: 30.973762 reduced_to: 105 - symbol: P # 106 coordinates: [ 0.818263520000000, 0.659455870000000, 0.307330420000000 ] mass: 30.973762 reduced_to: 105 - symbol: P # 107 coordinates: [ 0.681736480000000, 0.409455870000000, 0.192669580000000 ] mass: 30.973762 reduced_to: 107 - symbol: P # 108 coordinates: [ 0.681736480000000, 0.909455870000000, 0.192669580000000 ] mass: 30.973762 reduced_to: 107 - symbol: P # 109 coordinates: [ 0.000000000000000, 0.071093115000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 97 - symbol: P # 110 coordinates: [ 0.000000000000000, 0.571093115000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 97 - symbol: P # 111 coordinates: [ 0.000000000000000, 0.428906885000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 99 - symbol: P # 112 coordinates: [ 0.000000000000000, 0.928906885000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 99 - symbol: P # 113 coordinates: [ 0.181736480000000, 0.340544130000000, 0.692669580000000 ] mass: 30.973762 reduced_to: 101 - symbol: P # 114 coordinates: [ 0.181736480000000, 0.840544130000000, 0.692669580000000 ] mass: 30.973762 reduced_to: 101 - symbol: P # 115 coordinates: [ 0.318263520000000, 0.090544130000000, 0.807330420000000 ] mass: 30.973762 reduced_to: 103 - symbol: P # 116 coordinates: [ 0.318263520000000, 0.590544130000000, 0.807330420000000 ] mass: 30.973762 reduced_to: 103 - symbol: P # 117 coordinates: [ 0.318263520000000, 0.409455870000000, 0.307330420000000 ] mass: 30.973762 reduced_to: 105 - symbol: P # 118 coordinates: [ 0.318263520000000, 0.909455870000000, 0.307330420000000 ] mass: 30.973762 reduced_to: 105 - symbol: P # 119 coordinates: [ 0.181736480000000, 0.159455870000000, 0.192669580000000 ] mass: 30.973762 reduced_to: 107 - symbol: P # 120 coordinates: [ 0.181736480000000, 0.659455870000000, 0.192669580000000 ] mass: 30.973762 reduced_to: 107 - symbol: Cu # 121 coordinates: [ 0.000000000000000, 0.250000000000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 121 - symbol: Cu # 122 coordinates: [ 0.000000000000000, 0.750000000000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 121 - symbol: Cu # 123 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 123 - symbol: Cu # 124 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 123 - symbol: Cu # 125 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 121 - symbol: Cu # 126 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 63.546000 reduced_to: 121 - symbol: Cu # 127 coordinates: [ 0.000000000000000, 0.250000000000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 123 - symbol: Cu # 128 coordinates: [ 0.000000000000000, 0.750000000000000, 0.000000000000000 ] mass: 63.546000 reduced_to: 123 - symbol: Th # 129 coordinates: [ 0.860406120000000, 0.071892505000000, 0.847147130000000 ] mass: 232.038060 reduced_to: 129 - symbol: Th # 130 coordinates: [ 0.860406120000000, 0.571892505000000, 0.847147130000000 ] mass: 232.038060 reduced_to: 129 - symbol: Th # 131 coordinates: [ 0.639593880000000, 0.321892505000000, 0.652852870000000 ] mass: 232.038060 reduced_to: 131 - symbol: Th # 132 coordinates: [ 0.639593880000000, 0.821892505000000, 0.652852870000000 ] mass: 232.038060 reduced_to: 131 - symbol: Th # 133 coordinates: [ 0.639593880000000, 0.178107495000000, 0.152852870000000 ] mass: 232.038060 reduced_to: 133 - symbol: Th # 134 coordinates: [ 0.639593880000000, 0.678107495000000, 0.152852870000000 ] mass: 232.038060 reduced_to: 133 - symbol: Th # 135 coordinates: [ 0.860406120000000, 0.428107495000000, 0.347147130000000 ] mass: 232.038060 reduced_to: 135 - symbol: Th # 136 coordinates: [ 0.860406120000000, 0.928107495000000, 0.347147130000000 ] mass: 232.038060 reduced_to: 135 - symbol: Th # 137 coordinates: [ 0.360406120000000, 0.321892505000000, 0.847147130000000 ] mass: 232.038060 reduced_to: 129 - symbol: Th # 138 coordinates: [ 0.360406120000000, 0.821892505000000, 0.847147130000000 ] mass: 232.038060 reduced_to: 129 - symbol: Th # 139 coordinates: [ 0.139593880000000, 0.071892505000000, 0.652852870000000 ] mass: 232.038060 reduced_to: 131 - symbol: Th # 140 coordinates: [ 0.139593880000000, 0.571892505000000, 0.652852870000000 ] mass: 232.038060 reduced_to: 131 - symbol: Th # 141 coordinates: [ 0.139593880000000, 0.428107495000000, 0.152852870000000 ] mass: 232.038060 reduced_to: 133 - symbol: Th # 142 coordinates: [ 0.139593880000000, 0.928107495000000, 0.152852870000000 ] mass: 232.038060 reduced_to: 133 - symbol: Th # 143 coordinates: [ 0.360406120000000, 0.178107495000000, 0.347147130000000 ] mass: 232.038060 reduced_to: 135 - symbol: Th # 144 coordinates: [ 0.360406120000000, 0.678107495000000, 0.347147130000000 ] mass: 232.038060 reduced_to: 135displacements:- atom: 1 displacement: [ 0.0099999367125711, 0.0000000000000000, -0.0000355773041697 ] forces: - [ -0.3526028600000000, -0.1944947100000000, 0.0578726500000000 ] - [ -0.0027736100000000, -0.0005454700000000, -0.0009942700000000 ] - [ 0.0025134300000000, -0.0013988100000000, 0.0007184900000000 ] - [ 0.0025132900000000, -0.0010104000000000, 0.0008939700000000 ] - [ 0.0020711000000000, 0.0008532500000000, 0.0009482700000000 ] - [ 0.0027187200000000, 0.0015239700000000, 0.0008161200000000 ] - [ -0.0040515400000000, 0.0029093800000000, -0.0006421600000000 ] - [ -0.0067225700000000, 0.0006779700000000, -0.0049538100000000 ] - [ -0.0017056800000000, 0.0169832700000000, -0.0151483800000000 ] - [ -0.0019140700000000, -0.0001163000000000, -0.0001176400000000 ] - [ 0.0011944600000000, -0.0005408000000000, -0.0002842700000000 ] - [ 0.0015971800000000, -0.0005317100000000, 0.0000521300000000 ] - [ 0.0015108600000000, 0.0003045400000000, 0.0001638000000000 ] - [ 0.0013739800000000, 0.0007103600000000, -0.0001989000000000 ] - [ -0.0028186800000000, 0.0024767000000000, 0.0000526600000000 ] - [ -0.0084627300000000, 0.0020950100000000, -0.0080832400000000 ] - [ -0.0005926600000000, -0.0005428200000000, 0.0047671200000000 ] - [ -0.0012857200000000, 0.0010329100000000, 0.0047983800000000 ] - [ 0.0009680900000000, 0.0002929000000000, -0.0046437300000000 ] - [ 0.0052177300000000, 0.0017188800000000, -0.0117593500000000 ] - [ 0.0141072300000000, -0.0138462500000000, 0.0004318600000000 ] - [ 0.0007878200000000, 0.0025124900000000, -0.0033046600000000 ] - [ -0.0012598400000000, -0.0007537000000000, 0.0044430700000000 ] - [ 0.0008360300000000, 0.0010338200000000, 0.0039099900000000 ] - [ 0.0041222600000000, -0.0057656400000000, 0.0012822400000000 ] - [ 0.0014919400000000, -0.0032391700000000, 0.0008742500000000 ] - [ -0.0037863900000000, -0.0096684600000000, -0.0018145400000000 ] - [ -0.0004708400000000, 0.0101441700000000, -0.0001487100000000 ] - [ -0.0030801400000000, 0.0017691800000000, -0.0015589500000000 ] - [ -0.0027736600000000, 0.0089140100000000, -0.0009941900000000 ] - [ 0.0016381600000000, 0.0042475700000000, 0.0009151100000000 ] - [ 0.0022342100000000, 0.0036140600000000, 0.0011332300000000 ] - [ 0.0020230000000000, -0.0000129700000000, -0.0037034600000000 ] - [ 0.0038502800000000, 0.0021075000000000, -0.0023775600000000 ] - [ 0.0017780400000000, -0.0065475700000000, -0.0002885800000000 ] - [ -0.0020976000000000, 0.0033018800000000, 0.0024349500000000 ] - [ -0.0025455600000000, -0.0003818400000000, 0.0036099200000000 ] - [ -0.0005883300000000, 0.0043051200000000, 0.0149226700000000 ] - [ 0.0027496000000000, -0.0013538300000000, -0.0035682700000000 ] - [ 0.0021926700000000, 0.0002669500000000, -0.0039266500000000 ] - [ -0.0003075800000000, 0.0007548000000000, -0.0005888400000000 ] - [ 0.0139155900000000, 0.0009554700000000, 0.0043807000000000 ] - [ 0.0041476700000000, -0.0017503600000000, 0.0003643300000000 ] - [ 0.0017794200000000, 0.0022646900000000, 0.0008893500000000 ] - [ -0.0008563800000000, -0.0010734100000000, 0.0003605400000000 ] - [ 0.0038298300000000, 0.0013171700000000, 0.0020695800000000 ] - [ 0.0018786300000000, -0.0015136400000000, 0.0001922300000000 ] - [ -0.0000299900000000, -0.0003126200000000, -0.0004789100000000 ] - [ 0.0021410800000000, 0.0004627500000000, -0.0006920800000000 ] - [ 0.0021413900000000, 0.0003890900000000, -0.0006271800000000 ] - [ 0.0549980400000000, 0.0018300700000000, -0.0120311500000000 ] - [ -0.0022484000000000, 0.0011754300000000, 0.0009169600000000 ] - [ -0.0007815400000000, 0.0011242900000000, 0.0003191000000000 ] - [ -0.0055010700000000, -0.0037678500000000, 0.0022333300000000 ] - [ 0.0020850000000000, -0.0004241400000000, -0.0005986000000000 ] - [ 0.0021438500000000, -0.0004294300000000, -0.0006616300000000 ] - [ 0.0010773300000000, -0.0003628700000000, 0.0016605300000000 ] - [ 0.0012827900000000, -0.0003989400000000, 0.0018827400000000 ] - [ 0.0118491100000000, 0.0180986600000000, 0.0074179300000000 ] - [ -0.0013232700000000, 0.0000883400000000, -0.0015444500000000 ] - [ -0.0001596900000000, 0.0025264700000000, -0.0020371700000000 ] - [ -0.0037544400000000, -0.0020365200000000, -0.0055997800000000 ] - [ 0.0012623000000000, 0.0002767100000000, 0.0018713800000000 ] - [ 0.0010975800000000, 0.0004931600000000, 0.0017353200000000 ] - [ -0.0015296200000000, 0.0015449100000000, 0.0048573700000000 ] - [ -0.0003510500000000, -0.0012874400000000, 0.0035379200000000 ] - [ 0.0029592400000000, 0.0009503000000000, -0.0045831500000000 ] - [ 0.0023548600000000, 0.0004461300000000, -0.0045688200000000 ] - [ 0.0024387500000000, -0.0003226700000000, -0.0045351800000000 ] - [ 0.0030199400000000, -0.0011380700000000, -0.0047752600000000 ] - [ 0.0020775100000000, 0.0019310600000000, 0.0047266600000000 ] - [ -0.0016586900000000, -0.0008329300000000, 0.0049080600000000 ] - [ 0.0017539600000000, -0.0009492700000000, 0.0005205200000000 ] - [ 0.0015670500000000, -0.0076697100000000, 0.0008695500000000 ] - [ 0.0004015000000000, -0.0029930500000000, -0.0003784600000000 ] - [ -0.0002685700000000, -0.0030137300000000, -0.0004945600000000 ] - [ -0.0003874300000000, 0.0034358000000000, -0.0005228500000000 ] - [ 0.0003455400000000, 0.0026672600000000, -0.0003468100000000 ] - [ 0.0031008400000000, 0.0071083500000000, 0.0017847300000000 ] - [ 0.0004774900000000, 0.0014047300000000, 0.0006878100000000 ] - [ 0.0035341800000000, 0.0018984100000000, -0.0040334000000000 ] - [ 0.0020004800000000, 0.0000514800000000, -0.0043156900000000 ] - [ -0.0011943300000000, 0.0003820500000000, 0.0044442000000000 ] - [ -0.0007364300000000, -0.0004847600000000, 0.0048522000000000 ] - [ -0.0007424900000000, 0.0002835100000000, 0.0047240600000000 ] - [ -0.0012711100000000, -0.0002774700000000, 0.0044248300000000 ] - [ 0.0020890100000000, 0.0008688700000000, -0.0041833500000000 ] - [ 0.0031022800000000, -0.0030388100000000, -0.0012189300000000 ] - [ 0.0041945600000000, 0.0017351700000000, 0.0004061700000000 ] - [ 0.0019564000000000, 0.0004847600000000, 0.0001219000000000 ] - [ 0.0013904800000000, 0.0009300300000000, 0.0007987200000000 ] - [ 0.0048382200000000, 0.0003005100000000, 0.0018503500000000 ] - [ 0.0040624600000000, -0.0005432100000000, 0.0016451100000000 ] - [ 0.0009996900000000, -0.0006989600000000, 0.0006879000000000 ] - [ 0.0027006200000000, -0.0002309900000000, 0.0002704400000000 ] - [ 0.0030392100000000, -0.0018547500000000, 0.0006534200000000 ] - [ -0.0030988800000000, -0.0004418000000000, -0.0006559100000000 ] - [ -0.0034049600000000, -0.0005588600000000, -0.0010206600000000 ] - [ -0.0031022700000000, 0.0008615300000000, -0.0011243900000000 ] - [ -0.0033004600000000, 0.0002308800000000, -0.0007342200000000 ] - [ -0.0042288600000000, -0.0001095400000000, -0.0023619900000000 ] - [ -0.0015576300000000, -0.0027614400000000, -0.0015472300000000 ] - [ 0.0025274300000000, -0.0007703500000000, 0.0016537700000000 ] - [ -0.0001713600000000, -0.0109300600000000, -0.0012277200000000 ] - [ -0.0021311700000000, 0.0148162700000000, 0.0059182700000000 ] - [ -0.0020358400000000, -0.0074088000000000, 0.0011025000000000 ] - [ -0.0012375200000000, 0.0016574900000000, -0.0014308100000000 ] - [ -0.0106597200000000, -0.0003245600000000, -0.0026886700000000 ] - [ 0.2394828600000000, 0.1310884000000000, -0.0369924800000000 ] - [ 0.0036494600000000, -0.0018714800000000, 0.0007942000000000 ] - [ 0.0034830500000000, -0.0035893700000000, 0.0012266900000000 ] - [ 0.0128702200000000, 0.0063682800000000, 0.0088517100000000 ] - [ -0.0038204400000000, -0.0051499500000000, -0.0018121600000000 ] - [ -0.0028470000000000, 0.0035096500000000, -0.0029230600000000 ] - [ -0.0032858500000000, -0.0016613300000000, 0.0002978600000000 ] - [ -0.0007301100000000, -0.0013533100000000, 0.0008482000000000 ] - [ -0.0010842900000000, 0.0009075200000000, 0.0007713300000000 ] - [ -0.0035925800000000, 0.0023240100000000, 0.0004133400000000 ] - [ -0.0058494900000000, -0.0031344900000000, -0.0006425400000000 ] - [ -0.0028376600000000, 0.0035037800000000, -0.0016328200000000 ] - [ 0.0036273800000000, -0.0029209300000000, -0.0009831900000000 ] - [ 0.0015434500000000, -0.0005275800000000, -0.0001242800000000 ] - [ -0.0006754000000000, -0.0000789600000000, -0.0001634700000000 ] - [ -0.0004582900000000, -0.0001585000000000, -0.0000524100000000 ] - [ -0.0006449500000000, 0.0001817200000000, -0.0000982700000000 ] - [ -0.0004233700000000, 0.0000625500000000, -0.0000943900000000 ] - [ -0.0013077900000000, -0.0021935100000000, 0.0005389700000000 ] - [ 0.0012534800000000, 0.0006693700000000, 0.0001272400000000 ] - [ 0.0138237500000000, 0.0108233500000000, 0.0000463300000000 ] - [ 0.0041850200000000, -0.0040662900000000, 0.0018896500000000 ] - [ -0.0013615700000000, 0.0010930900000000, -0.0014055100000000 ] - [ -0.0048820100000000, -0.0011513000000000, -0.0025891100000000 ] - [ -0.0045258300000000, 0.0024717100000000, -0.0023991500000000 ] - [ -0.0030589300000000, -0.0021947000000000, -0.0019256900000000 ] - [ 0.0047691300000000, -0.0002531600000000, 0.0028104700000000 ] - [ 0.0271649100000000, 0.0092080100000000, -0.0009932700000000 ] - [ -0.0050093400000000, -0.0002854000000000, -0.0005392800000000 ] - [ -0.0055439200000000, 0.0011773900000000, -0.0007660100000000 ] - [ -0.0060827400000000, 0.0016366400000000, -0.0097553000000000 ] - [ 0.0020064800000000, -0.0001667400000000, -0.0001278100000000 ] - [ 0.0009877000000000, -0.0034696800000000, -0.0010289600000000 ] - [ -0.0145569100000000, 0.0120732000000000, 0.0031102300000000 ] - [ -0.0061321800000000, -0.0009947200000000, -0.0009421000000000 ] - [ -0.0046244300000000, 0.0000416500000000, -0.0003971500000000 ]- atom: 1 displacement: [ -0.0099999367125711, 0.0000000000000000, 0.0000355773041697 ] forces: - [ 0.3413712500000000, 0.1840609600000000, -0.0564664000000000 ] - [ 0.0024491500000000, -0.0002329700000000, -0.0004881800000000 ] - [ -0.0021743800000000, 0.0006178200000000, 0.0007636700000000 ] - [ -0.0021739600000000, 0.0002289100000000, 0.0005819600000000 ] - [ -0.0017285100000000, -0.0000739300000000, 0.0005374200000000 ] - [ -0.0023862200000000, -0.0007520100000000, 0.0006686700000000 ] - [ 0.0037335900000000, -0.0021468000000000, -0.0008410500000000 ] - [ 0.0063936200000000, 0.0001172200000000, 0.0035074200000000 ] - [ 0.0011997900000000, -0.0180485000000000, 0.0171240100000000 ] - [ 0.0016749200000000, -0.0007943300000000, 0.0019689700000000 ] - [ -0.0009481900000000, -0.0003609100000000, -0.0015568500000000 ] - [ -0.0013533700000000, -0.0003683800000000, -0.0018963600000000 ] - [ -0.0012733400000000, 0.0006089400000000, -0.0020211900000000 ] - [ -0.0011133300000000, 0.0002104600000000, -0.0016521500000000 ] - [ 0.0025840300000000, -0.0015809400000000, 0.0017962800000000 ] - [ 0.0082820200000000, -0.0011130500000000, 0.0099032100000000 ] - [ -0.0027200900000000, 0.0013634800000000, 0.0043584500000000 ] - [ -0.0020243900000000, -0.0002204600000000, 0.0043256900000000 ] - [ 0.0023502800000000, 0.0005232500000000, -0.0044794600000000 ] - [ -0.0019584800000000, -0.0009064100000000, 0.0027432000000000 ] - [ -0.0109610600000000, 0.0132433100000000, -0.0096923300000000 ] - [ 0.0025339200000000, -0.0033588200000000, -0.0058389300000000 ] - [ -0.0020514100000000, -0.0000641200000000, 0.0046856400000000 ] - [ -0.0041669300000000, -0.0018644800000000, 0.0052248400000000 ] - [ -0.0018834600000000, -0.0013766700000000, 0.0002032200000000 ] - [ 0.0007747800000000, -0.0039238400000000, 0.0006156400000000 ] - [ 0.0015508000000000, 0.0025337900000000, 0.0003301500000000 ] - [ -0.0017995100000000, -0.0174682500000000, -0.0013501800000000 ] - [ 0.0008328000000000, 0.0053765900000000, 0.0000784900000000 ] - [ 0.0005215600000000, -0.0017850500000000, -0.0004868800000000 ] - [ 0.0006287400000000, 0.0029148400000000, 0.0005744400000000 ] - [ 0.0000352400000000, 0.0035566100000000, 0.0003558500000000 ] - [ 0.0016413200000000, 0.0007134200000000, -0.0043377500000000 ] - [ -0.0002044300000000, -0.0014219800000000, -0.0056759600000000 ] - [ -0.0054790300000000, 0.0073398800000000, 0.0083921100000000 ] - [ -0.0015629000000000, -0.0026308600000000, 0.0056246000000000 ] - [ -0.0011077500000000, -0.0003210700000000, 0.0044327900000000 ] - [ -0.0030249800000000, -0.0050134900000000, -0.0069762800000000 ] - [ 0.0009112000000000, 0.0006566500000000, -0.0044713800000000 ] - [ 0.0014701400000000, -0.0009720000000000, -0.0041105200000000 ] - [ 0.0006758900000000, 0.0008236200000000, -0.0001884900000000 ] - [ -0.0136994600000000, 0.0006277000000000, -0.0052148500000000 ] - [ -0.0045171800000000, 0.0033406700000000, 0.0004214500000000 ] - [ -0.0021489100000000, -0.0006986500000000, -0.0001104900000000 ] - [ 0.0005158000000000, -0.0005061300000000, 0.0004242800000000 ] - [ -0.0041938500000000, -0.0029063900000000, -0.0012849800000000 ] - [ -0.0015007800000000, -0.0000625300000000, -0.0009666000000000 ] - [ 0.0003953500000000, -0.0012683700000000, -0.0002991900000000 ] - [ -0.0024959300000000, -0.0012434800000000, -0.0007934200000000 ] - [ -0.0024997200000000, -0.0011736900000000, -0.0008594100000000 ] - [ -0.0535583900000000, -0.0025451000000000, 0.0132141600000000 ] - [ 0.0025970900000000, -0.0019611800000000, 0.0005641800000000 ] - [ 0.0011182100000000, -0.0003566700000000, 0.0011680200000000 ] - [ 0.0058225500000000, 0.0045628300000000, -0.0007806900000000 ] - [ -0.0024449900000000, 0.0012120000000000, -0.0008784700000000 ] - [ -0.0025017100000000, 0.0012181600000000, -0.0008200100000000 ] - [ -0.0013497700000000, -0.0005599000000000, 0.0001829400000000 ] - [ -0.0015325000000000, -0.0005125300000000, -0.0000367400000000 ] - [ -0.0116532200000000, -0.0187688900000000, -0.0092067400000000 ] - [ 0.0015878500000000, -0.0010095000000000, -0.0003004200000000 ] - [ 0.0004043700000000, -0.0016585000000000, 0.0002077900000000 ] - [ 0.0039899500000000, 0.0029475500000000, 0.0037416000000000 ] - [ -0.0015170700000000, 0.0006264700000000, -0.0000312800000000 ] - [ -0.0013516100000000, 0.0004078800000000, 0.0001010400000000 ] - [ -0.0017868900000000, -0.0007321400000000, 0.0042696800000000 ] - [ -0.0029645400000000, 0.0021120000000000, 0.0055812700000000 ] - [ 0.0003453600000000, -0.0001305000000000, -0.0045422200000000 ] - [ 0.0009504100000000, 0.0003691600000000, -0.0045575100000000 ] - [ 0.0008659500000000, -0.0004924700000000, -0.0045931300000000 ] - [ 0.0002902800000000, 0.0003193800000000, -0.0043542900000000 ] - [ -0.0053943200000000, -0.0027320100000000, 0.0044091600000000 ] - [ -0.0016582500000000, 0.0000060400000000, 0.0042200600000000 ] - [ 0.0005013300000000, -0.0062019200000000, 0.0009664100000000 ] - [ 0.0006945200000000, 0.0004865000000000, 0.0006194400000000 ] - [ -0.0026720200000000, -0.0041677400000000, -0.0011118200000000 ] - [ -0.0020059800000000, -0.0041594700000000, -0.0009971600000000 ] - [ -0.0018843500000000, 0.0037224500000000, -0.0009681700000000 ] - [ -0.0026154600000000, 0.0045004100000000, -0.0011439500000000 ] - [ -0.0008462900000000, 0.0000553400000000, -0.0002993300000000 ] - [ 0.0017852200000000, 0.0057506300000000, 0.0008003900000000 ] - [ 0.0001292100000000, -0.0011832100000000, -0.0040191400000000 ] - [ 0.0016571400000000, 0.0006387700000000, -0.0037278800000000 ] - [ -0.0024744000000000, 0.0003207800000000, 0.0035931000000000 ] - [ -0.0029271500000000, 0.0011835000000000, 0.0031901900000000 ] - [ -0.0029244400000000, -0.0009831800000000, 0.0033103400000000 ] - [ -0.0023965000000000, -0.0004254400000000, 0.0036116000000000 ] - [ 0.0015689200000000, -0.0015740900000000, -0.0038595600000000 ] - [ 0.0005549700000000, 0.0023414800000000, -0.0068103900000000 ] - [ -0.0038558800000000, -0.0001519300000000, -0.0011929500000000 ] - [ -0.0016160300000000, 0.0010899300000000, -0.0009075700000000 ] - [ -0.0017647100000000, 0.0006484400000000, -0.0000227300000000 ] - [ -0.0051915800000000, 0.0012804200000000, -0.0010670300000000 ] - [ -0.0044363600000000, -0.0010334500000000, -0.0008684400000000 ] - [ -0.0013697100000000, -0.0008836500000000, 0.0000899800000000 ] - [ -0.0023670800000000, -0.0013487000000000, -0.0010575800000000 ] - [ -0.0026902100000000, 0.0002742900000000, -0.0014357000000000 ] - [ 0.0031067300000000, -0.0005995700000000, 0.0006564900000000 ] - [ 0.0034224900000000, -0.0004797500000000, 0.0010242500000000 ] - [ 0.0031114000000000, 0.0001727600000000, 0.0011296100000000 ] - [ 0.0033211000000000, 0.0008124900000000, 0.0007396600000000 ] - [ 0.0022610200000000, -0.0026541600000000, -0.0002189900000000 ] - [ -0.0004140500000000, 0.0000194200000000, -0.0010374700000000 ] - [ -0.0005917900000000, -0.0019689600000000, 0.0009229400000000 ] - [ 0.0021350700000000, 0.0082277600000000, 0.0037748200000000 ] - [ 0.0040584900000000, -0.0121285500000000, -0.0033516500000000 ] - [ 0.0040259400000000, 0.0102507700000000, 0.0014833400000000 ] - [ -0.0007343500000000, 0.0010973400000000, -0.0011543600000000 ] - [ 0.0087824900000000, 0.0030860200000000, 0.0001188900000000 ] - [ -0.2272518600000000, -0.1217894000000000, 0.0341176900000000 ] - [ -0.0036665100000000, 0.0008302800000000, -0.0007952500000000 ] - [ -0.0035011900000000, 0.0046741500000000, -0.0012347300000000 ] - [ -0.0128651800000000, -0.0053829800000000, -0.0088063300000000 ] - [ 0.0018765500000000, 0.0024041900000000, -0.0007670100000000 ] - [ 0.0008951500000000, -0.0062629500000000, 0.0003378400000000 ] - [ 0.0052682900000000, -0.0010924700000000, 0.0022901800000000 ] - [ 0.0027095400000000, -0.0013948700000000, 0.0017396200000000 ] - [ 0.0030703200000000, 0.0018474300000000, 0.0018178000000000 ] - [ 0.0055603500000000, 0.0004323400000000, 0.0021717500000000 ] - [ 0.0039035800000000, 0.0058695100000000, -0.0019388800000000 ] - [ 0.0008837400000000, -0.0007341200000000, -0.0009477700000000 ] - [ -0.0036216000000000, 0.0029151300000000, 0.0009850700000000 ] - [ -0.0015473200000000, 0.0005241600000000, 0.0001224700000000 ] - [ 0.0006781100000000, 0.0000790000000000, 0.0001654400000000 ] - [ 0.0004604900000000, 0.0001589000000000, 0.0000517200000000 ] - [ 0.0006465700000000, -0.0001822500000000, 0.0000968200000000 ] - [ 0.0004256600000000, -0.0000631400000000, 0.0000950000000000 ] - [ 0.0013113700000000, 0.0022283900000000, -0.0005434000000000 ] - [ -0.0012542400000000, -0.0006714600000000, -0.0001282700000000 ] - [ -0.0157451600000000, -0.0104185300000000, 0.0011932600000000 ] - [ -0.0059220600000000, 0.0045113000000000, -0.0004207100000000 ] - [ 0.0030525900000000, -0.0006845300000000, -0.0000793900000000 ] - [ 0.0065913300000000, 0.0015704200000000, 0.0011142000000000 ] - [ 0.0062296300000000, -0.0029067500000000, 0.0009202700000000 ] - [ 0.0047675800000000, 0.0018032300000000, 0.0004479300000000 ] - [ -0.0065074600000000, -0.0001398300000000, -0.0013475500000000 ] - [ -0.0305281000000000, -0.0106918900000000, 0.0028796500000000 ] - [ 0.0033448800000000, 0.0006951600000000, 0.0020303400000000 ] - [ 0.0038724200000000, -0.0007641400000000, 0.0022548500000000 ] - [ 0.0078469700000000, -0.0012520800000000, 0.0082920400000000 ] - [ -0.0002990800000000, 0.0005950400000000, -0.0013506700000000 ] - [ 0.0007273800000000, 0.0030742400000000, -0.0004411300000000 ] - [ 0.0161970500000000, -0.0124503200000000, -0.0045608900000000 ] - [ 0.0044662500000000, 0.0005793300000000, 0.0024312400000000 ] - [ 0.0029529200000000, -0.0004478800000000, 0.0018857500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.1922981700000000, -0.1922429900000000, 0.0505313200000000 ] - [ -0.0003219900000000, 0.0009697100000000, -0.0011355800000000 ] - [ 0.0007876900000000, -0.0006524200000000, 0.0007366100000000 ] - [ 0.0011755700000000, -0.0006510200000000, 0.0008049500000000 ] - [ 0.0006312500000000, 0.0004521700000000, 0.0008110900000000 ] - [ 0.0013029000000000, 0.0009459200000000, 0.0007674800000000 ] - [ -0.0026925400000000, 0.0029133400000000, -0.0004022500000000 ] - [ -0.0004515600000000, -0.0037526700000000, -0.0027550200000000 ] - [ 0.0195601900000000, 0.0254961400000000, -0.0278761600000000 ] - [ -0.0005155800000000, 0.0010335300000000, 0.0002792500000000 ] - [ 0.0004101900000000, -0.0003940700000000, -0.0007194000000000 ] - [ 0.0007570600000000, -0.0005807800000000, -0.0005390600000000 ] - [ 0.0005038700000000, 0.0002591500000000, -0.0005651100000000 ] - [ 0.0006492800000000, 0.0006777600000000, -0.0006640500000000 ] - [ -0.0015848400000000, 0.0029268000000000, 0.0008951000000000 ] - [ -0.0021016200000000, 0.0048687700000000, -0.0130183200000000 ] - [ -0.0015349300000000, -0.0000637800000000, 0.0044882800000000 ] - [ -0.0014830400000000, 0.0009126400000000, 0.0047477800000000 ] - [ 0.0013019300000000, 0.0012542100000000, -0.0047026500000000 ] - [ 0.0039987400000000, 0.0003374300000000, -0.0085953300000000 ] - [ -0.0040147300000000, -0.0028719200000000, -0.0049626400000000 ] - [ 0.0012357500000000, 0.0018438100000000, -0.0038354600000000 ] - [ -0.0016833100000000, -0.0003408300000000, 0.0044573800000000 ] - [ -0.0003442800000000, 0.0001643100000000, 0.0043104100000000 ] - [ 0.0027450200000000, -0.0054562300000000, 0.0010139500000000 ] - [ 0.0010727400000000, -0.0028060500000000, 0.0007433800000000 ] - [ -0.0029431000000000, -0.0045786500000000, -0.0008210800000000 ] - [ 0.0001527000000000, 0.0041775700000000, -0.0003052800000000 ] - [ -0.0030500100000000, 0.0039229200000000, -0.0016082200000000 ] - [ -0.0015160600000000, 0.0069409400000000, -0.0006257700000000 ] - [ 0.0013999900000000, 0.0043947300000000, 0.0008288000000000 ] - [ 0.0012485500000000, 0.0027255000000000, 0.0008323400000000 ] - [ 0.0017496800000000, 0.0003704000000000, -0.0039477800000000 ] - [ 0.0029910600000000, 0.0011464200000000, -0.0031821400000000 ] - [ -0.0024123500000000, -0.0043606100000000, 0.0032730200000000 ] - [ -0.0019163400000000, 0.0028037500000000, 0.0031644000000000 ] - [ -0.0022276400000000, 0.0007027500000000, 0.0038678200000000 ] - [ 0.0014271500000000, 0.0014511800000000, 0.0131147000000000 ] - [ 0.0019195700000000, -0.0008187700000000, -0.0039121300000000 ] - [ 0.0020216800000000, 0.0001363100000000, -0.0040261200000000 ] - [ -0.0005104500000000, 0.0010827600000000, -0.0006124000000000 ] - [ 0.0087192100000000, 0.0004776600000000, 0.0026885000000000 ] - [ -0.0010436500000000, 0.0003277400000000, 0.0005800500000000 ] - [ 0.0013682300000000, 0.0018535700000000, 0.0007693500000000 ] - [ -0.0014106200000000, -0.0005418400000000, 0.0001199500000000 ] - [ 0.0030157700000000, 0.0005964800000000, 0.0018680000000000 ] - [ -0.0003631500000000, -0.0015461300000000, -0.0006921100000000 ] - [ 0.0001700800000000, -0.0002955400000000, -0.0003979500000000 ] - [ 0.0006106700000000, -0.0000983700000000, -0.0007161300000000 ] - [ 0.0006845900000000, -0.0000973300000000, -0.0007037000000000 ] - [ -0.0021599600000000, -0.0101294500000000, 0.0009147900000000 ] - [ -0.0013961400000000, 0.0015024900000000, 0.0011424300000000 ] - [ 0.0009085700000000, 0.0022249800000000, 0.0002479500000000 ] - [ -0.0039962000000000, -0.0042173800000000, 0.0008014400000000 ] - [ 0.0006473200000000, 0.0000493100000000, -0.0007033400000000 ] - [ 0.0006531000000000, 0.0001522200000000, -0.0007073800000000 ] - [ 0.0003059300000000, -0.0003492200000000, 0.0011632400000000 ] - [ 0.0003789500000000, -0.0005072900000000, 0.0012997300000000 ] - [ 0.0236013500000000, 0.0090724100000000, 0.0078844800000000 ] - [ -0.0008432600000000, 0.0011845400000000, -0.0008215500000000 ] - [ 0.0007054900000000, 0.0033995000000000, -0.0013671500000000 ] - [ -0.0023648500000000, -0.0015023900000000, -0.0031942200000000 ] - [ 0.0003539500000000, 0.0002835900000000, 0.0012011500000000 ] - [ 0.0003226100000000, 0.0005816900000000, 0.0012619400000000 ] - [ -0.0014528700000000, 0.0013337300000000, 0.0047568600000000 ] - [ -0.0016403000000000, -0.0006091600000000, 0.0046408300000000 ] - [ 0.0021815900000000, 0.0005001300000000, -0.0045793700000000 ] - [ 0.0019185900000000, 0.0005637700000000, -0.0046169400000000 ] - [ 0.0020068000000000, -0.0003624900000000, -0.0045071300000000 ] - [ 0.0019889600000000, -0.0006371200000000, -0.0046261700000000 ] - [ -0.0007042600000000, -0.0009783800000000, 0.0039995600000000 ] - [ -0.0016287400000000, 0.0000699200000000, 0.0045757200000000 ] - [ 0.0023355000000000, -0.0031624600000000, 0.0008429300000000 ] - [ 0.0006949100000000, -0.0037937200000000, 0.0006068000000000 ] - [ -0.0008014600000000, -0.0037496500000000, -0.0006514000000000 ] - [ -0.0007107500000000, -0.0030744200000000, -0.0006269300000000 ] - [ -0.0008920000000000, 0.0037964600000000, -0.0006724400000000 ] - [ -0.0005074700000000, 0.0029399700000000, -0.0005886400000000 ] - [ 0.0030101700000000, 0.0053500300000000, 0.0017140300000000 ] - [ 0.0004768400000000, 0.0032996600000000, 0.0006007400000000 ] - [ 0.0020791700000000, -0.0003113200000000, -0.0035928000000000 ] - [ 0.0018828500000000, 0.0009961700000000, -0.0040046900000000 ] - [ -0.0015146200000000, 0.0003621700000000, 0.0041800300000000 ] - [ -0.0015788800000000, 0.0001084900000000, 0.0042376600000000 ] - [ -0.0013860300000000, -0.0002149700000000, 0.0043071800000000 ] - [ -0.0016373100000000, -0.0001855400000000, 0.0042029600000000 ] - [ 0.0021104700000000, 0.0007192300000000, -0.0040497700000000 ] - [ 0.0019661900000000, -0.0016629300000000, -0.0038704400000000 ] - [ 0.0018439300000000, 0.0008054300000000, -0.0000090800000000 ] - [ 0.0004867400000000, 0.0009252800000000, -0.0002751900000000 ] - [ 0.0008016900000000, 0.0009488500000000, 0.0006603500000000 ] - [ 0.0005377300000000, 0.0005150800000000, 0.0005753800000000 ] - [ 0.0018878900000000, -0.0008587200000000, 0.0009879800000000 ] - [ 0.0002373800000000, -0.0005811100000000, 0.0004925800000000 ] - [ 0.0018699500000000, -0.0004212000000000, 0.0000086900000000 ] - [ 0.0006113400000000, -0.0010864300000000, -0.0002173100000000 ] - [ -0.0009505600000000, -0.0006119200000000, -0.0002175100000000 ] - [ -0.0013531700000000, -0.0004355400000000, -0.0003940800000000 ] - [ -0.0009575000000000, 0.0008401600000000, -0.0003605800000000 ] - [ -0.0013170600000000, 0.0002063700000000, -0.0002792400000000 ] - [ -0.0011849000000000, -0.0001100600000000, -0.0013730200000000 ] - [ -0.0013393500000000, -0.0026463300000000, -0.0014386100000000 ] - [ 0.0028594000000000, -0.0033640000000000, 0.0017256700000000 ] - [ -0.0005174500000000, -0.0071998100000000, -0.0019711100000000 ] - [ 0.0037649000000000, 0.0042988000000000, -0.0005241600000000 ] - [ -0.0013963000000000, -0.0050865200000000, 0.0010074000000000 ] - [ -0.0005139800000000, 0.0008065500000000, -0.0012024100000000 ] - [ -0.0063385800000000, 0.0012765000000000, -0.0019874700000000 ] - [ 0.1355177400000000, 0.1409876700000000, -0.0244826500000000 ] - [ 0.0013011900000000, -0.0041446900000000, 0.0001848300000000 ] - [ 0.0013196300000000, -0.0047654200000000, 0.0005574200000000 ] - [ 0.0056396900000000, 0.0102570300000000, 0.0075573000000000 ] - [ -0.0031735300000000, -0.0040559200000000, -0.0016854500000000 ] - [ -0.0009107800000000, 0.0001455300000000, -0.0014079400000000 ] - [ -0.0007975100000000, -0.0011313800000000, 0.0009178700000000 ] - [ 0.0003816800000000, -0.0017497700000000, 0.0011430600000000 ] - [ -0.0001225400000000, 0.0009890200000000, 0.0010270400000000 ] - [ 0.0000762300000000, 0.0018424800000000, 0.0010873500000000 ] - [ -0.0033424200000000, 0.0017197900000000, -0.0012730100000000 ] - [ -0.0010096000000000, 0.0006673500000000, -0.0013325200000000 ] - [ 0.0019003500000000, -0.0024466200000000, -0.0009837000000000 ] - [ 0.0012311900000000, -0.0013436100000000, -0.0004421600000000 ] - [ -0.0002345900000000, 0.0000404900000000, -0.0000942300000000 ] - [ -0.0001806100000000, -0.0001182200000000, 0.0000091900000000 ] - [ -0.0002386600000000, 0.0001314300000000, -0.0000019600000000 ] - [ -0.0001316800000000, -0.0000392500000000, -0.0000602100000000 ] - [ -0.0014730800000000, -0.0043753400000000, -0.0005058600000000 ] - [ 0.0005133600000000, -0.0003117000000000, 0.0002856700000000 ] - [ 0.0075676400000000, 0.0131516400000000, 0.0071347800000000 ] - [ 0.0011291200000000, -0.0045856300000000, 0.0008339200000000 ] - [ 0.0008822700000000, 0.0001141800000000, -0.0007086600000000 ] - [ -0.0023794400000000, 0.0000130000000000, -0.0018194600000000 ] - [ 0.0003637800000000, 0.0013754800000000, -0.0008858400000000 ] - [ -0.0011839400000000, -0.0016112800000000, -0.0013587100000000 ] - [ 0.0020657500000000, -0.0037858000000000, 0.0020971700000000 ] - [ 0.0059797700000000, 0.0115691500000000, -0.0003306000000000 ] - [ -0.0027607500000000, -0.0000510600000000, 0.0001405500000000 ] - [ -0.0021771000000000, 0.0006315100000000, 0.0003194600000000 ] - [ -0.0043284500000000, 0.0063557200000000, -0.0062633800000000 ] - [ 0.0013475400000000, -0.0021963300000000, -0.0001028300000000 ] - [ -0.0002721800000000, -0.0033309600000000, -0.0016147000000000 ] - [ 0.0008478400000000, 0.0033609100000000, 0.0005937300000000 ] - [ -0.0028540600000000, -0.0001209500000000, 0.0000904900000000 ] - [ -0.0020312800000000, -0.0004688000000000, 0.0003916000000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.1857887000000000, 0.1890191500000000, -0.0506135700000000 ] - [ 0.0000015000000000, -0.0017475800000000, -0.0003487300000000 ] - [ -0.0004637400000000, -0.0001287300000000, 0.0007471500000000 ] - [ -0.0008543700000000, -0.0001273100000000, 0.0006757000000000 ] - [ -0.0003107800000000, 0.0003231300000000, 0.0006761500000000 ] - [ -0.0009823600000000, -0.0001687100000000, 0.0007177300000000 ] - [ 0.0023689500000000, -0.0021362100000000, -0.0010830700000000 ] - [ 0.0001307600000000, 0.0045393100000000, 0.0012780400000000 ] - [ -0.0194475300000000, -0.0260360000000000, 0.0291318100000000 ] - [ 0.0002804700000000, -0.0019439600000000, 0.0015717300000000 ] - [ -0.0001657500000000, -0.0005265800000000, -0.0011306900000000 ] - [ -0.0005232200000000, -0.0003276400000000, -0.0013115600000000 ] - [ -0.0002635600000000, 0.0006575800000000, -0.0012867100000000 ] - [ -0.0004080300000000, 0.0002410600000000, -0.0011900500000000 ] - [ 0.0013471100000000, -0.0020114900000000, 0.0009553000000000 ] - [ 0.0018597000000000, -0.0040171300000000, 0.0150514100000000 ] - [ -0.0017890200000000, 0.0008886900000000, 0.0046470000000000 ] - [ -0.0018423400000000, -0.0000878000000000, 0.0043859500000000 ] - [ 0.0020218900000000, -0.0004286000000000, -0.0044303800000000 ] - [ -0.0006849100000000, 0.0004888300000000, -0.0005167500000000 ] - [ 0.0073683600000000, 0.0020063800000000, -0.0041678700000000 ] - [ 0.0020883300000000, -0.0026769800000000, -0.0053030100000000 ] - [ -0.0016416700000000, -0.0004880900000000, 0.0046773400000000 ] - [ -0.0029838100000000, -0.0009926300000000, 0.0048238100000000 ] - [ -0.0004893800000000, -0.0017000300000000, 0.0004714300000000 ] - [ 0.0011892000000000, -0.0043541700000000, 0.0007436300000000 ] - [ 0.0006826000000000, -0.0025963700000000, -0.0006692800000000 ] - [ -0.0024227500000000, -0.0113747400000000, -0.0011820200000000 ] - [ 0.0007843100000000, 0.0032346600000000, 0.0001210300000000 ] - [ -0.0007464100000000, 0.0002111300000000, -0.0008611800000000 ] - [ 0.0008607500000000, 0.0027689900000000, 0.0006573300000000 ] - [ 0.0010160600000000, 0.0044411700000000, 0.0006552100000000 ] - [ 0.0018997700000000, 0.0003217100000000, -0.0041069200000000 ] - [ 0.0006536600000000, -0.0004546000000000, -0.0048743800000000 ] - [ -0.0012197200000000, 0.0050683600000000, 0.0047741700000000 ] - [ -0.0017364200000000, -0.0021172000000000, 0.0048934000000000 ] - [ -0.0014225500000000, -0.0013979300000000, 0.0041853700000000 ] - [ -0.0051035600000000, -0.0021442400000000, -0.0051261700000000 ] - [ 0.0017308600000000, 0.0001237800000000, -0.0041421400000000 ] - [ 0.0016271700000000, -0.0008316800000000, -0.0040279700000000 ] - [ 0.0008755600000000, 0.0004963700000000, -0.0001663400000000 ] - [ -0.0083880500000000, 0.0011065900000000, -0.0034839800000000 ] - [ 0.0006928600000000, 0.0012474000000000, 0.0001959100000000 ] - [ -0.0017450500000000, -0.0002767400000000, 0.0000063400000000 ] - [ 0.0010418700000000, -0.0010398200000000, 0.0006584500000000 ] - [ -0.0033916000000000, -0.0021829700000000, -0.0010932000000000 ] - [ 0.0007318600000000, -0.0000324400000000, -0.0000847300000000 ] - [ 0.0001933100000000, -0.0012851200000000, -0.0003809200000000 ] - [ -0.0009399500000000, -0.0006825100000000, -0.0007691400000000 ] - [ -0.0010109300000000, -0.0006807800000000, -0.0007835300000000 ] - [ 0.0022066100000000, 0.0093048800000000, 0.0006182000000000 ] - [ 0.0017304200000000, -0.0022845600000000, 0.0003421300000000 ] - [ -0.0005774300000000, -0.0014461300000000, 0.0012364100000000 ] - [ 0.0043251500000000, 0.0050054800000000, 0.0006749400000000 ] - [ -0.0009754300000000, 0.0007307500000000, -0.0007777000000000 ] - [ -0.0009828500000000, 0.0006307700000000, -0.0007767000000000 ] - [ -0.0005517000000000, -0.0005699800000000, 0.0006874600000000 ] - [ -0.0006231800000000, -0.0004094300000000, 0.0005482600000000 ] - [ -0.0230039500000000, -0.0098469400000000, -0.0095520300000000 ] - [ 0.0011003700000000, -0.0021159000000000, -0.0010323500000000 ] - [ -0.0004618300000000, -0.0024878500000000, -0.0004793600000000 ] - [ 0.0026218300000000, 0.0024260000000000, 0.0013710300000000 ] - [ -0.0005924900000000, 0.0006259600000000, 0.0006477000000000 ] - [ -0.0005699600000000, 0.0003392200000000, 0.0005867000000000 ] - [ -0.0018697400000000, -0.0005116400000000, 0.0043767700000000 ] - [ -0.0016885400000000, 0.0014372700000000, 0.0044996900000000 ] - [ 0.0011396600000000, 0.0003259500000000, -0.0045540200000000 ] - [ 0.0014038000000000, 0.0002627700000000, -0.0045166000000000 ] - [ 0.0013151000000000, -0.0004625400000000, -0.0046270600000000 ] - [ 0.0013324900000000, -0.0001868600000000, -0.0045084000000000 ] - [ -0.0026333300000000, 0.0001403100000000, 0.0051276900000000 ] - [ -0.0016933700000000, -0.0008934200000000, 0.0045551200000000 ] - [ -0.0000682800000000, -0.0040065000000000, 0.0006465400000000 ] - [ 0.0015661300000000, -0.0033515600000000, 0.0008800000000000 ] - [ -0.0014667200000000, -0.0034148000000000, -0.0008368500000000 ] - [ -0.0015534500000000, -0.0040924200000000, -0.0008601300000000 ] - [ -0.0013725600000000, 0.0033638700000000, -0.0008152700000000 ] - [ -0.0017565300000000, 0.0042231800000000, -0.0008982900000000 ] - [ -0.0007475000000000, 0.0018124800000000, -0.0002260600000000 ] - [ 0.0017887300000000, 0.0038688400000000, 0.0008860100000000 ] - [ 0.0015648800000000, 0.0009991600000000, -0.0044549700000000 ] - [ 0.0017675400000000, -0.0002998900000000, -0.0040453300000000 ] - [ -0.0021372200000000, 0.0003330400000000, 0.0038725000000000 ] - [ -0.0020742000000000, 0.0005879700000000, 0.0038155500000000 ] - [ -0.0022647300000000, -0.0004803200000000, 0.0037451400000000 ] - [ -0.0020139600000000, -0.0005084300000000, 0.0038495200000000 ] - [ 0.0015412800000000, -0.0014172400000000, -0.0040026100000000 ] - [ 0.0016810900000000, 0.0009756900000000, -0.0041965100000000 ] - [ -0.0014889400000000, 0.0007725300000000, -0.0007712700000000 ] - [ -0.0001269800000000, 0.0006566200000000, -0.0005050500000000 ] - [ -0.0011689800000000, 0.0006314300000000, 0.0001176000000000 ] - [ -0.0009210900000000, 0.0010665400000000, 0.0001981400000000 ] - [ -0.0022573400000000, -0.0007217000000000, -0.0002102800000000 ] - [ -0.0006028400000000, -0.0009999900000000, 0.0002863300000000 ] - [ -0.0015084600000000, -0.0011603200000000, -0.0007884400000000 ] - [ -0.0002503800000000, -0.0004909900000000, -0.0005638200000000 ] - [ 0.0009522500000000, -0.0004313500000000, 0.0002175600000000 ] - [ 0.0013616900000000, -0.0006067000000000, 0.0003968200000000 ] - [ 0.0009585100000000, 0.0002010600000000, 0.0003609400000000 ] - [ 0.0013264200000000, 0.0008374200000000, 0.0002812500000000 ] - [ -0.0007753300000000, -0.0026485300000000, -0.0012080700000000 ] - [ -0.0006158500000000, -0.0001035300000000, -0.0011404500000000 ] - [ -0.0009008100000000, 0.0006142200000000, 0.0008542200000000 ] - [ 0.0024795800000000, 0.0044655200000000, 0.0045563500000000 ] - [ -0.0018291600000000, -0.0015128200000000, 0.0031357700000000 ] - [ 0.0033710100000000, 0.0078726100000000, 0.0015757500000000 ] - [ -0.0014412000000000, 0.0019500000000000, -0.0013771100000000 ] - [ 0.0044004900000000, 0.0014716900000000, -0.0005890600000000 ] - [ -0.1293283700000000, -0.1397830400000000, 0.0233107900000000 ] - [ -0.0013068200000000, 0.0031026800000000, -0.0001835700000000 ] - [ -0.0013247600000000, 0.0058129600000000, -0.0005509900000000 ] - [ -0.0056752100000000, -0.0092737500000000, -0.0075808300000000 ] - [ 0.0012151900000000, 0.0013048400000000, -0.0008945400000000 ] - [ -0.0010434500000000, -0.0029186800000000, -0.0011664900000000 ] - [ 0.0027620500000000, -0.0016184900000000, 0.0016648500000000 ] - [ 0.0015773000000000, -0.0010038400000000, 0.0014379800000000 ] - [ 0.0020850200000000, 0.0017650100000000, 0.0015541900000000 ] - [ 0.0018936800000000, 0.0009102200000000, 0.0014942300000000 ] - [ 0.0013961300000000, 0.0010542200000000, -0.0013125200000000 ] - [ -0.0009428100000000, 0.0020767500000000, -0.0012471000000000 ] - [ -0.0018935800000000, 0.0024304300000000, 0.0009809800000000 ] - [ -0.0012354700000000, 0.0013464500000000, 0.0004429200000000 ] - [ 0.0002346000000000, -0.0000405800000000, 0.0000957100000000 ] - [ 0.0001821600000000, 0.0001178100000000, -0.0000091200000000 ] - [ 0.0002387900000000, -0.0001306800000000, 0.0000008000000000 ] - [ 0.0001336900000000, 0.0000382900000000, 0.0000602000000000 ] - [ 0.0014612600000000, 0.0043477000000000, 0.0004943900000000 ] - [ -0.0005188800000000, 0.0003129400000000, -0.0002856000000000 ] - [ -0.0093006400000000, -0.0127263000000000, -0.0057256400000000 ] - [ -0.0028589300000000, 0.0050096600000000, 0.0006329000000000 ] - [ 0.0008444900000000, 0.0002999700000000, -0.0007635400000000 ] - [ 0.0041079700000000, 0.0003985500000000, 0.0003532500000000 ] - [ 0.0013497600000000, -0.0017919300000000, -0.0005893900000000 ] - [ 0.0029179800000000, 0.0012058300000000, -0.0001103800000000 ] - [ -0.0037916900000000, 0.0033887700000000, -0.0006300000000000 ] - [ -0.0081325400000000, -0.0120902800000000, 0.0018757200000000 ] - [ 0.0010434000000000, 0.0004623200000000, 0.0013326200000000 ] - [ 0.0004667600000000, -0.0002205300000000, 0.0011570100000000 ] - [ 0.0060512600000000, -0.0059160700000000, 0.0048054000000000 ] - [ 0.0003657100000000, 0.0026073400000000, -0.0013706500000000 ] - [ 0.0019843800000000, 0.0029232000000000, 0.0001420600000000 ] - [ 0.0009529700000000, -0.0038277000000000, -0.0020807800000000 ] - [ 0.0011459900000000, -0.0002873600000000, 0.0013822000000000 ] - [ 0.0003157800000000, 0.0000549100000000, 0.0010815700000000 ]- atom: 1 displacement: [ -0.0030072416887981, 0.0000000000000000, 0.0095371115871188 ] forces: - [ 0.1573904800000000, 0.1037568100000000, -0.0800548600000000 ] - [ 0.0003725800000000, -0.0007266500000000, -0.0007282200000000 ] - [ -0.0003813800000000, -0.0001600600000000, 0.0007657900000000 ] - [ -0.0005518900000000, -0.0002083100000000, 0.0007093000000000 ] - [ -0.0002006500000000, 0.0003241900000000, 0.0006747500000000 ] - [ -0.0005261000000000, 0.0000772200000000, 0.0006892300000000 ] - [ 0.0010969300000000, -0.0006897200000000, -0.0005736900000000 ] - [ -0.0022041800000000, 0.0022300400000000, 0.0055951500000000 ] - [ -0.0169333500000000, -0.0358698000000000, 0.0178472800000000 ] - [ 0.0002804400000000, -0.0008135300000000, 0.0011000100000000 ] - [ -0.0001063300000000, -0.0004532500000000, -0.0010503200000000 ] - [ -0.0002755500000000, -0.0003892300000000, -0.0011356800000000 ] - [ -0.0002226000000000, 0.0005511200000000, -0.0012397500000000 ] - [ -0.0002324800000000, 0.0003653500000000, -0.0011419900000000 ] - [ 0.0004556500000000, -0.0001634000000000, 0.0016375700000000 ] - [ 0.0016675900000000, -0.0070324200000000, 0.0115363400000000 ] - [ -0.0016861200000000, 0.0006140800000000, 0.0044124800000000 ] - [ -0.0017123000000000, 0.0001799800000000, 0.0043897200000000 ] - [ 0.0017523100000000, -0.0001371900000000, -0.0042084400000000 ] - [ -0.0006739500000000, 0.0002309500000000, 0.0002205200000000 ] - [ 0.0040388700000000, 0.0009745200000000, -0.0089025700000000 ] - [ 0.0019760000000000, -0.0018768700000000, -0.0053139000000000 ] - [ -0.0017426800000000, -0.0003906500000000, 0.0046731000000000 ] - [ -0.0027312300000000, -0.0009798700000000, 0.0049952000000000 ] - [ -0.0002237400000000, -0.0024017800000000, 0.0005310100000000 ] - [ 0.0010675900000000, -0.0039022700000000, 0.0007225600000000 ] - [ -0.0003953600000000, -0.0019176700000000, -0.0010502700000000 ] - [ -0.0017547500000000, -0.0107642900000000, -0.0012709700000000 ] - [ 0.0003865200000000, 0.0023894100000000, 0.0000970700000000 ] - [ -0.0010090600000000, 0.0025559500000000, -0.0002542700000000 ] - [ 0.0009844500000000, 0.0032050700000000, 0.0006945300000000 ] - [ 0.0011329500000000, 0.0039152800000000, 0.0006852300000000 ] - [ 0.0018236100000000, 0.0003976900000000, -0.0041492700000000 ] - [ 0.0009935700000000, -0.0003669900000000, -0.0048287800000000 ] - [ -0.0057227300000000, 0.0044604200000000, 0.0064641700000000 ] - [ -0.0018911500000000, -0.0011625800000000, 0.0048205900000000 ] - [ -0.0014683100000000, -0.0009867300000000, 0.0038839200000000 ] - [ 0.0020383400000000, 0.0030197300000000, 0.0042236500000000 ] - [ 0.0017597100000000, -0.0001502600000000, -0.0039441500000000 ] - [ 0.0017104800000000, -0.0005676600000000, -0.0039533100000000 ] - [ 0.0003422700000000, 0.0006971200000000, -0.0003258800000000 ] - [ -0.0072450700000000, 0.0009174400000000, -0.0030321100000000 ] - [ -0.0007642300000000, 0.0013848500000000, -0.0003518200000000 ] - [ -0.0013339200000000, 0.0000728700000000, 0.0001268200000000 ] - [ 0.0006837900000000, -0.0009994300000000, 0.0005507800000000 ] - [ -0.0005134400000000, -0.0008714700000000, 0.0008432300000000 ] - [ 0.0013100700000000, -0.0005744000000000, 0.0001065000000000 ] - [ 0.0002327200000000, -0.0010003900000000, -0.0003702200000000 ] - [ -0.0007653600000000, -0.0006179800000000, -0.0007427400000000 ] - [ -0.0008296400000000, -0.0006105700000000, -0.0007633700000000 ] - [ -0.0281309200000000, -0.0012014400000000, -0.0031824700000000 ] - [ 0.0010743000000000, -0.0012532500000000, 0.0004575600000000 ] - [ 0.0000582400000000, -0.0002977400000000, 0.0012363900000000 ] - [ 0.0033569100000000, 0.0017210200000000, 0.0039286600000000 ] - [ -0.0007282800000000, 0.0006120900000000, -0.0007837500000000 ] - [ -0.0008039600000000, 0.0006193100000000, -0.0007699400000000 ] - [ -0.0004348400000000, -0.0005042200000000, 0.0007555900000000 ] - [ -0.0005044700000000, -0.0004568100000000, 0.0006715400000000 ] - [ 0.0096894300000000, 0.0065600900000000, -0.0044899200000000 ] - [ 0.0007594300000000, -0.0011666200000000, -0.0010684900000000 ] - [ -0.0003759300000000, -0.0012311400000000, 0.0000018600000000 ] - [ 0.0015311700000000, 0.0011126100000000, 0.0026638600000000 ] - [ -0.0004771500000000, 0.0005113500000000, 0.0006669900000000 ] - [ -0.0004597000000000, 0.0004173500000000, 0.0006792100000000 ] - [ -0.0018197400000000, 0.0002586000000000, 0.0046743400000000 ] - [ -0.0018096900000000, 0.0005964000000000, 0.0052113400000000 ] - [ 0.0013744300000000, 0.0003021100000000, -0.0046151900000000 ] - [ 0.0014792000000000, 0.0003904800000000, -0.0045687600000000 ] - [ 0.0014207900000000, -0.0004283800000000, -0.0045394100000000 ] - [ 0.0012486400000000, -0.0001806000000000, -0.0044617700000000 ] - [ -0.0030696200000000, -0.0015620800000000, 0.0039292400000000 ] - [ -0.0016201000000000, -0.0003296500000000, 0.0043831900000000 ] - [ 0.0005434500000000, -0.0042599700000000, 0.0006404000000000 ] - [ 0.0010528200000000, -0.0021438600000000, 0.0007045500000000 ] - [ -0.0015829600000000, -0.0037361700000000, -0.0008405400000000 ] - [ -0.0013831600000000, -0.0037666000000000, -0.0008146300000000 ] - [ -0.0013114600000000, 0.0036024300000000, -0.0007992600000000 ] - [ -0.0014572700000000, 0.0037969800000000, -0.0008469200000000 ] - [ 0.0010655300000000, 0.0033972000000000, 0.0008746600000000 ] - [ 0.0015342000000000, 0.0041158400000000, 0.0007686100000000 ] - [ 0.0011690400000000, 0.0000948500000000, -0.0033017500000000 ] - [ 0.0017527400000000, 0.0003544200000000, -0.0038696000000000 ] - [ -0.0020042400000000, 0.0003468400000000, 0.0038767600000000 ] - [ -0.0021439300000000, 0.0006125900000000, 0.0037544400000000 ] - [ -0.0020790000000000, -0.0004754800000000, 0.0038971700000000 ] - [ -0.0019740300000000, -0.0003781900000000, 0.0039225500000000 ] - [ 0.0018066700000000, -0.0005521400000000, -0.0041453100000000 ] - [ 0.0015815100000000, 0.0004444700000000, -0.0054105400000000 ] - [ -0.0011716300000000, 0.0005845900000000, -0.0005488500000000 ] - [ -0.0003189800000000, 0.0008713200000000, -0.0005329500000000 ] - [ -0.0007305300000000, 0.0007343700000000, 0.0002404600000000 ] - [ -0.0018269400000000, 0.0009363500000000, -0.0001099400000000 ] - [ -0.0008098100000000, -0.0008215500000000, 0.0001929100000000 ] - [ -0.0004384700000000, -0.0008244900000000, 0.0003257000000000 ] - [ -0.0002971000000000, -0.0008252600000000, -0.0005410100000000 ] - [ -0.0004563300000000, -0.0004685500000000, -0.0007197000000000 ] - [ 0.0007462000000000, -0.0005128000000000, 0.0001388300000000 ] - [ 0.0009939100000000, -0.0005623200000000, 0.0002417000000000 ] - [ 0.0007181800000000, 0.0003661200000000, 0.0003223900000000 ] - [ 0.0009265500000000, 0.0006330700000000, 0.0002204400000000 ] - [ -0.0010408900000000, -0.0017476100000000, -0.0011932000000000 ] - [ -0.0008366000000000, -0.0007875300000000, -0.0012112000000000 ] - [ -0.0004224500000000, 0.0003149400000000, 0.0009303900000000 ] - [ 0.0022351600000000, -0.0000064100000000, -0.0015227200000000 ] - [ 0.0018753000000000, -0.0024234400000000, 0.0049790200000000 ] - [ 0.0029553500000000, 0.0058705400000000, 0.0015507500000000 ] - [ -0.0009915500000000, 0.0015653600000000, -0.0012956200000000 ] - [ 0.0033007300000000, 0.0020839400000000, -0.0007431200000000 ] - [ -0.1065944200000000, -0.0627636900000000, 0.0654291800000000 ] - [ -0.0010154000000000, 0.0007498600000000, 0.0002326700000000 ] - [ -0.0011079300000000, 0.0027071400000000, -0.0017916700000000 ] - [ -0.0015890100000000, -0.0022574400000000, -0.0116849200000000 ] - [ -0.0005214300000000, -0.0011643300000000, -0.0012222100000000 ] - [ -0.0009069200000000, -0.0028063300000000, -0.0005574500000000 ] - [ 0.0018779000000000, -0.0013816900000000, 0.0015518700000000 ] - [ 0.0014000600000000, -0.0013698900000000, 0.0014060000000000 ] - [ 0.0016263900000000, 0.0015065700000000, 0.0014435700000000 ] - [ 0.0023864000000000, 0.0010415200000000, 0.0015252400000000 ] - [ 0.0008502000000000, 0.0023503200000000, -0.0017509500000000 ] - [ -0.0004649600000000, 0.0007723700000000, -0.0011902100000000 ] - [ 0.0002008100000000, -0.0003148300000000, -0.0000976200000000 ] - [ -0.0011942700000000, 0.0010542600000000, 0.0006771500000000 ] - [ 0.0001912000000000, 0.0000027600000000, 0.0000585000000000 ] - [ 0.0001244900000000, 0.0000563800000000, 0.0000053900000000 ] - [ 0.0001660700000000, -0.0000635600000000, 0.0000165600000000 ] - [ 0.0001034800000000, -0.0000005800000000, 0.0000317500000000 ] - [ 0.0024713700000000, 0.0030348400000000, -0.0006440000000000 ] - [ -0.0002655700000000, -0.0001552600000000, -0.0001889900000000 ] - [ -0.0119222200000000, -0.0015243100000000, -0.0146904500000000 ] - [ -0.0022365900000000, 0.0020706400000000, 0.0004975300000000 ] - [ 0.0009722100000000, 0.0001522900000000, -0.0007192600000000 ] - [ 0.0021636700000000, 0.0003744900000000, -0.0003312300000000 ] - [ 0.0019399100000000, -0.0013170100000000, -0.0003922400000000 ] - [ 0.0022720700000000, 0.0006245600000000, -0.0003008300000000 ] - [ -0.0023156200000000, 0.0005556700000000, 0.0002274300000000 ] - [ -0.0103961100000000, -0.0053763400000000, 0.0081316100000000 ] - [ 0.0001630800000000, 0.0003349800000000, 0.0010500000000000 ] - [ 0.0003672000000000, -0.0000299400000000, 0.0011346800000000 ] - [ -0.0012964200000000, 0.0003347800000000, 0.0012045600000000 ] - [ 0.0004250900000000, 0.0007658400000000, -0.0010920600000000 ] - [ 0.0014159200000000, 0.0013322400000000, -0.0002230400000000 ] - [ 0.0077315300000000, -0.0055064300000000, -0.0035424300000000 ] - [ 0.0006507400000000, 0.0000035500000000, 0.0012197900000000 ] - [ 0.0001895200000000, -0.0002514300000000, 0.0010512100000000 ]- atom: 1 displacement: [ 0.0030072416887981, 0.0000000000000000, -0.0095371115871188 ] forces: - [ -0.1596713600000000, -0.1063641700000000, 0.0775668000000000 ] - [ -0.0006982600000000, -0.0000603000000000, -0.0007533000000000 ] - [ 0.0007125200000000, -0.0006295600000000, 0.0007153100000000 ] - [ 0.0008822600000000, -0.0005790300000000, 0.0007689400000000 ] - [ 0.0005299700000000, 0.0004617400000000, 0.0008096000000000 ] - [ 0.0008526800000000, 0.0007061500000000, 0.0007935000000000 ] - [ -0.0014192700000000, 0.0014704000000000, -0.0009100400000000 ] - [ 0.0018944800000000, -0.0014528100000000, -0.0070556700000000 ] - [ 0.0168676000000000, 0.0355499300000000, -0.0161566000000000 ] - [ -0.0005245600000000, -0.0001016100000000, 0.0007449100000000 ] - [ 0.0003528500000000, -0.0004567800000000, -0.0007903300000000 ] - [ 0.0005192400000000, -0.0005171600000000, -0.0007061500000000 ] - [ 0.0004549000000000, 0.0003610900000000, -0.0006138300000000 ] - [ 0.0004850800000000, 0.0005521500000000, -0.0007044800000000 ] - [ -0.0006915900000000, 0.0010680500000000, 0.0002051100000000 ] - [ -0.0018882500000000, 0.0077856000000000, -0.0096051200000000 ] - [ -0.0016390400000000, 0.0002076600000000, 0.0047160200000000 ] - [ -0.0016078600000000, 0.0006384900000000, 0.0047357400000000 ] - [ 0.0015707900000000, 0.0009636100000000, -0.0049188800000000 ] - [ 0.0039793000000000, 0.0005749800000000, -0.0093287100000000 ] - [ -0.0006698800000000, -0.0018109900000000, -0.0002165200000000 ] - [ 0.0013460500000000, 0.0010521300000000, -0.0038156200000000 ] - [ -0.0015781000000000, -0.0004294800000000, 0.0044529400000000 ] - [ -0.0005932400000000, 0.0001561900000000, 0.0041313400000000 ] - [ 0.0024719100000000, -0.0047524600000000, 0.0009533000000000 ] - [ 0.0011874600000000, -0.0032496000000000, 0.0007635000000000 ] - [ -0.0018503800000000, -0.0052308700000000, -0.0004380800000000 ] - [ -0.0005091800000000, 0.0035688100000000, -0.0002170000000000 ] - [ -0.0026424400000000, 0.0047875800000000, -0.0015804100000000 ] - [ -0.0012454000000000, 0.0045900900000000, -0.0012277000000000 ] - [ 0.0012705600000000, 0.0039554400000000, 0.0007910700000000 ] - [ 0.0011201000000000, 0.0032407500000000, 0.0008003500000000 ] - [ 0.0018252000000000, 0.0003025700000000, -0.0038965000000000 ] - [ 0.0026510200000000, 0.0010641500000000, -0.0032179200000000 ] - [ 0.0020315900000000, -0.0037186400000000, 0.0015753100000000 ] - [ -0.0017593000000000, 0.0018575300000000, 0.0032277600000000 ] - [ -0.0021799900000000, 0.0002934600000000, 0.0041648500000000 ] - [ -0.0056903600000000, -0.0037245400000000, 0.0038388700000000 ] - [ 0.0018860200000000, -0.0005476400000000, -0.0041042800000000 ] - [ 0.0019387600000000, -0.0001334300000000, -0.0040910700000000 ] - [ 0.0000153300000000, 0.0008825300000000, -0.0004529600000000 ] - [ 0.0075654900000000, 0.0006620200000000, 0.0022394700000000 ] - [ 0.0004059300000000, 0.0001983400000000, 0.0011205600000000 ] - [ 0.0009723500000000, 0.0015030300000000, 0.0006514100000000 ] - [ -0.0010451400000000, -0.0005775300000000, 0.0002280600000000 ] - [ 0.0001568800000000, -0.0007094300000000, -0.0000596300000000 ] - [ -0.0009786500000000, -0.0010041300000000, -0.0008897000000000 ] - [ 0.0001235900000000, -0.0005779800000000, -0.0004086000000000 ] - [ 0.0004245900000000, -0.0001717700000000, -0.0007396100000000 ] - [ 0.0004899400000000, -0.0001788700000000, -0.0007213200000000 ] - [ 0.0285967600000000, 0.0004058500000000, 0.0048455100000000 ] - [ -0.0007335600000000, 0.0004611100000000, 0.0010233300000000 ] - [ 0.0002778300000000, 0.0010817100000000, 0.0002462500000000 ] - [ -0.0029635700000000, -0.0009151800000000, -0.0024263000000000 ] - [ 0.0003863700000000, 0.0001785600000000, -0.0006948400000000 ] - [ 0.0004603000000000, 0.0001752500000000, -0.0007109600000000 ] - [ 0.0001753300000000, -0.0004130300000000, 0.0010859900000000 ] - [ 0.0002638400000000, -0.0004545300000000, 0.0011754000000000 ] - [ -0.0095479700000000, -0.0075598700000000, 0.0026045900000000 ] - [ -0.0005003300000000, 0.0002462200000000, -0.0007764700000000 ] - [ 0.0006382700000000, 0.0021462900000000, -0.0018480700000000 ] - [ -0.0012631500000000, -0.0001984600000000, -0.0044846600000000 ] - [ 0.0002273900000000, 0.0003962300000000, 0.0011722200000000 ] - [ 0.0002084600000000, 0.0004938500000000, 0.0011594300000000 ] - [ -0.0014998000000000, 0.0005533600000000, 0.0044497800000000 ] - [ -0.0015107500000000, 0.0002296800000000, 0.0039170100000000 ] - [ 0.0019405900000000, 0.0005173800000000, -0.0045092300000000 ] - [ 0.0018381800000000, 0.0004294700000000, -0.0045568600000000 ] - [ 0.0018959100000000, -0.0003909100000000, -0.0045876000000000 ] - [ 0.0020693200000000, -0.0006375900000000, -0.0046655500000000 ] - [ -0.0002607700000000, 0.0007420500000000, 0.0051995800000000 ] - [ -0.0017000600000000, -0.0004920600000000, 0.0047416800000000 ] - [ 0.0017134000000000, -0.0029026900000000, 0.0008479400000000 ] - [ 0.0012030000000000, -0.0050077400000000, 0.0007821100000000 ] - [ -0.0006781800000000, -0.0034227100000000, -0.0006465800000000 ] - [ -0.0008764900000000, -0.0033969400000000, -0.0006720500000000 ] - [ -0.0009476800000000, 0.0035512200000000, -0.0006876500000000 ] - [ -0.0008015600000000, 0.0033627700000000, -0.0006397000000000 ] - [ 0.0011793800000000, 0.0037511500000000, 0.0006039500000000 ] - [ 0.0007284400000000, 0.0030478700000000, 0.0007179500000000 ] - [ 0.0024767100000000, 0.0006057300000000, -0.0047435200000000 ] - [ 0.0018958000000000, 0.0003441000000000, -0.0041736400000000 ] - [ -0.0016482700000000, 0.0003539300000000, 0.0041672500000000 ] - [ -0.0015079600000000, 0.0000890900000000, 0.0042914900000000 ] - [ -0.0015735800000000, -0.0002274100000000, 0.0041430400000000 ] - [ -0.0016775200000000, -0.0003226500000000, 0.0041207300000000 ] - [ 0.0018421000000000, -0.0001558600000000, -0.0038980000000000 ] - [ 0.0020650400000000, -0.0011357700000000, -0.0026403300000000 ] - [ 0.0015150800000000, 0.0009929200000000, -0.0002333500000000 ] - [ 0.0006668200000000, 0.0007072500000000, -0.0002486900000000 ] - [ 0.0003681700000000, 0.0008439800000000, 0.0005374300000000 ] - [ 0.0014606900000000, 0.0006441600000000, 0.0008869600000000 ] - [ 0.0004398200000000, -0.0007572700000000, 0.0005830000000000 ] - [ 0.0000790700000000, -0.0007561900000000, 0.0004533100000000 ] - [ 0.0006403100000000, -0.0007570900000000, -0.0002413800000000 ] - [ 0.0008077000000000, -0.0011079700000000, -0.0000620100000000 ] - [ -0.0007391500000000, -0.0005314200000000, -0.0001385000000000 ] - [ -0.0009828500000000, -0.0004794100000000, -0.0002343600000000 ] - [ -0.0007131200000000, 0.0006749900000000, -0.0003242600000000 ] - [ -0.0009156300000000, 0.0004106800000000, -0.0002170200000000 ] - [ -0.0009075900000000, -0.0010121400000000, -0.0013874300000000 ] - [ -0.0011293300000000, -0.0019661000000000, -0.0013721800000000 ] - [ 0.0023921600000000, -0.0030845400000000, 0.0016534500000000 ] - [ -0.0002550500000000, -0.0027265900000000, 0.0040933800000000 ] - [ 0.0000814200000000, 0.0051526300000000, -0.0023408200000000 ] - [ -0.0009807600000000, -0.0030935400000000, 0.0010352500000000 ] - [ -0.0009728100000000, 0.0011872200000000, -0.0012874600000000 ] - [ -0.0052456200000000, 0.0006712100000000, -0.0018359400000000 ] - [ 0.1085277900000000, 0.0633776600000000, -0.0645768300000000 ] - [ 0.0010062700000000, -0.0017872700000000, -0.0002293300000000 ] - [ 0.0010988200000000, -0.0016497200000000, 0.0017995900000000 ] - [ 0.0015024800000000, 0.0033195600000000, 0.0116454300000000 ] - [ -0.0014334100000000, -0.0015709400000000, -0.0013593700000000 ] - [ -0.0010563900000000, 0.0000361000000000, -0.0020206500000000 ] - [ 0.0001019300000000, -0.0013710000000000, 0.0010358500000000 ] - [ 0.0005714400000000, -0.0013827100000000, 0.0011798100000000 ] - [ 0.0003494300000000, 0.0012496500000000, 0.0011429300000000 ] - [ -0.0004109800000000, 0.0017123500000000, 0.0010599200000000 ] - [ -0.0028000100000000, 0.0004158000000000, -0.0008369000000000 ] - [ -0.0014951300000000, 0.0019813600000000, -0.0013924200000000 ] - [ -0.0002258100000000, 0.0003310000000000, 0.0001023100000000 ] - [ 0.0011828600000000, -0.0010475000000000, -0.0006670000000000 ] - [ -0.0001900200000000, -0.0000020800000000, -0.0000566900000000 ] - [ -0.0001233200000000, -0.0000576900000000, -0.0000052900000000 ] - [ -0.0001655300000000, 0.0000646900000000, -0.0000172000000000 ] - [ -0.0001017600000000, -0.0000003300000000, -0.0000310900000000 ] - [ -0.0024936300000000, -0.0030347300000000, 0.0006578900000000 ] - [ 0.0002636200000000, 0.0001579000000000, 0.0001862500000000 ] - [ 0.0102849500000000, 0.0019022600000000, 0.0161558900000000 ] - [ 0.0005273400000000, -0.0016504000000000, 0.0009797300000000 ] - [ 0.0007318000000000, 0.0002558200000000, -0.0007631000000000 ] - [ -0.0004662600000000, 0.0000443600000000, -0.0011500900000000 ] - [ -0.0002383400000000, 0.0009000200000000, -0.0010873800000000 ] - [ -0.0005698700000000, -0.0010318900000000, -0.0011810100000000 ] - [ 0.0006023500000000, -0.0009625900000000, 0.0012442800000000 ] - [ 0.0084399100000000, 0.0048161700000000, -0.0066963800000000 ] - [ -0.0018415300000000, 0.0000776700000000, 0.0004387500000000 ] - [ -0.0020485600000000, 0.0004405500000000, 0.0003512300000000 ] - [ 0.0030295200000000, 0.0000402000000000, -0.0026356400000000 ] - [ 0.0012625100000000, -0.0003442900000000, -0.0003935600000000 ] - [ 0.0002735100000000, -0.0017337900000000, -0.0012600300000000 ] - [ -0.0060012700000000, 0.0050589800000000, 0.0020476300000000 ] - [ -0.0023238700000000, -0.0004143300000000, 0.0002696400000000 ] - [ -0.0018736200000000, -0.0001587400000000, 0.0004355800000000 ]- atom: 9 displacement: [ 0.0099999367125711, 0.0000000000000000, -0.0000355773041697 ] forces: - [ -0.0015790500000000, 0.0191841900000000, -0.0189566000000000 ] - [ -0.0019608300000000, -0.0007865600000000, -0.0008778700000000 ] - [ 0.0016491400000000, -0.0010341700000000, 0.0007872200000000 ] - [ 0.0012418400000000, -0.0006816500000000, 0.0008330600000000 ] - [ 0.0015587600000000, 0.0007762700000000, 0.0008275100000000 ] - [ 0.0014116800000000, 0.0009171200000000, 0.0007489200000000 ] - [ -0.0028686000000000, 0.0018583200000000, -0.0009903700000000 ] - [ -0.0084981100000000, 0.0023275200000000, -0.0015222000000000 ] - [ -0.1235624600000000, -0.0366051500000000, -0.0444020400000000 ] - [ -0.0011236800000000, -0.0003343200000000, 0.0003155000000000 ] - [ 0.0008606900000000, -0.0005692300000000, -0.0004681600000000 ] - [ 0.0008677900000000, -0.0003892100000000, -0.0003586500000000 ] - [ 0.0009731000000000, 0.0004966700000000, -0.0003584500000000 ] - [ 0.0007392400000000, 0.0005129800000000, -0.0005507000000000 ] - [ -0.0018411200000000, 0.0014103000000000, -0.0000918800000000 ] - [ -0.0023656400000000, 0.0014025700000000, -0.0014313800000000 ] - [ -0.0002277900000000, -0.0003651100000000, 0.0042132200000000 ] - [ -0.0014340300000000, 0.0005092700000000, 0.0045282700000000 ] - [ 0.0009416000000000, -0.0014266400000000, -0.0038538500000000 ] - [ 0.0015986900000000, 0.0038104800000000, -0.0036384800000000 ] - [ 0.0059030800000000, -0.0004690200000000, -0.0078168200000000 ] - [ 0.0013189300000000, -0.0000249600000000, -0.0044601800000000 ] - [ -0.0014168900000000, -0.0007318800000000, 0.0047051700000000 ] - [ -0.0010068900000000, 0.0001267500000000, 0.0045161800000000 ] - [ 0.0018218200000000, -0.0036211400000000, 0.0009488600000000 ] - [ 0.0014474700000000, -0.0039476300000000, 0.0008510100000000 ] - [ -0.0017988200000000, -0.0069294300000000, -0.0016605800000000 ] - [ -0.0012313600000000, -0.0018354000000000, -0.0007921700000000 ] - [ 0.0015468100000000, -0.0045936900000000, 0.0022494700000000 ] - [ -0.0019346000000000, 0.0059157300000000, -0.0010009300000000 ] - [ 0.0013681700000000, 0.0033744200000000, 0.0008271100000000 ] - [ 0.0026830800000000, 0.0048441000000000, 0.0010691700000000 ] - [ 0.0020650700000000, 0.0000416100000000, -0.0039588000000000 ] - [ 0.0023596000000000, 0.0009313800000000, -0.0036561700000000 ] - [ -0.0025814300000000, -0.0005966800000000, 0.0062058300000000 ] - [ -0.0021077900000000, 0.0007533200000000, 0.0036718700000000 ] - [ -0.0021180000000000, -0.0021042100000000, 0.0030353000000000 ] - [ -0.0011875500000000, 0.0028173200000000, 0.0039130600000000 ] - [ 0.0029551800000000, -0.0012565200000000, -0.0030879300000000 ] - [ 0.0019729000000000, -0.0002356900000000, -0.0038539200000000 ] - [ 0.0000610200000000, 0.0005363900000000, -0.0004467500000000 ] - [ 0.0019232300000000, 0.0013431400000000, 0.0000191500000000 ] - [ 0.0019636300000000, -0.0002228000000000, 0.0006988300000000 ] - [ 0.0000062100000000, 0.0010686600000000, 0.0004633600000000 ] - [ 0.0013369600000000, -0.0018050100000000, 0.0006737800000000 ] - [ 0.0011805300000000, 0.0000221300000000, 0.0008227700000000 ] - [ 0.0081440300000000, -0.0014417300000000, 0.0018425200000000 ] - [ 0.0000406600000000, -0.0008026600000000, -0.0004642700000000 ] - [ 0.0012260600000000, 0.0001059600000000, -0.0007024200000000 ] - [ 0.0010309500000000, 0.0000322800000000, -0.0006704800000000 ] - [ 0.0119761000000000, -0.0238248000000000, 0.0146063700000000 ] - [ -0.0012733300000000, 0.0005781000000000, 0.0009366000000000 ] - [ -0.0001018300000000, 0.0009778700000000, 0.0001146400000000 ] - [ -0.0036707200000000, -0.0020859800000000, 0.0009663300000000 ] - [ 0.0011996700000000, -0.0000734000000000, -0.0006682800000000 ] - [ 0.0010430000000000, -0.0000471600000000, -0.0007028500000000 ] - [ 0.0005943200000000, -0.0004521400000000, 0.0013938800000000 ] - [ 0.0006074500000000, -0.0003843800000000, 0.0014209500000000 ] - [ -0.0025301900000000, -0.0032589000000000, 0.0164999400000000 ] - [ -0.0006592700000000, -0.0001881400000000, -0.0013161100000000 ] - [ -0.0043403600000000, 0.0037922200000000, -0.0038030500000000 ] - [ -0.0020461800000000, -0.0003098500000000, -0.0030093200000000 ] - [ 0.0007017900000000, 0.0004034800000000, 0.0014843400000000 ] - [ 0.0005272700000000, 0.0004116700000000, 0.0013218100000000 ] - [ -0.0014735700000000, 0.0009247100000000, 0.0046036000000000 ] - [ -0.0010848900000000, -0.0004292600000000, 0.0041161000000000 ] - [ 0.0023687100000000, 0.0006947200000000, -0.0045562700000000 ] - [ 0.0020531700000000, 0.0004332900000000, -0.0045660400000000 ] - [ 0.0021524400000000, -0.0003961700000000, -0.0045668500000000 ] - [ 0.0023558200000000, -0.0007630800000000, -0.0046506800000000 ] - [ -0.0002290400000000, 0.0002406400000000, 0.0046302500000000 ] - [ -0.0016053100000000, -0.0005041700000000, 0.0047048300000000 ] - [ 0.0026055400000000, -0.0021999000000000, 0.0009838800000000 ] - [ 0.0013434100000000, -0.0053259500000000, 0.0007557900000000 ] - [ -0.0003230500000000, -0.0032817300000000, -0.0005402100000000 ] - [ -0.0006043700000000, -0.0032587400000000, -0.0005991900000000 ] - [ -0.0006887100000000, 0.0034533800000000, -0.0006118800000000 ] - [ -0.0003387700000000, 0.0031197700000000, -0.0005330000000000 ] - [ 0.0019136600000000, 0.0051285900000000, 0.0010278300000000 ] - [ 0.0008425000000000, 0.0025200000000000, 0.0007670300000000 ] - [ 0.0028526100000000, 0.0007159700000000, -0.0039940900000000 ] - [ 0.0019558700000000, 0.0003404200000000, -0.0041161800000000 ] - [ -0.0014347300000000, 0.0003297800000000, 0.0042966700000000 ] - [ -0.0012551100000000, -0.0000570500000000, 0.0044398400000000 ] - [ -0.0012241100000000, -0.0000103800000000, 0.0043953000000000 ] - [ -0.0015102700000000, -0.0003073200000000, 0.0042460100000000 ] - [ 0.0019842300000000, 0.0002318200000000, -0.0039686200000000 ] - [ 0.0027442700000000, -0.0019598500000000, -0.0021096000000000 ] - [ 0.0026392000000000, 0.0010623200000000, 0.0001905700000000 ] - [ 0.0011498100000000, 0.0006796600000000, -0.0001046800000000 ] - [ 0.0009171200000000, 0.0008878800000000, 0.0006815800000000 ] - [ 0.0023004800000000, 0.0005006400000000, 0.0011056200000000 ] - [ 0.0020827500000000, -0.0006441900000000, 0.0010462200000000 ] - [ 0.0005806100000000, -0.0007329900000000, 0.0005844900000000 ] - [ 0.0015630700000000, -0.0005728200000000, -0.0000017700000000 ] - [ 0.0018049300000000, -0.0013724500000000, 0.0002620600000000 ] - [ -0.0019523700000000, -0.0004009700000000, -0.0004422700000000 ] - [ -0.0016784800000000, -0.0006656600000000, -0.0005781200000000 ] - [ -0.0020033300000000, 0.0005507100000000, -0.0005983100000000 ] - [ -0.0016635500000000, 0.0004719700000000, -0.0003769900000000 ] - [ -0.0057874200000000, -0.0008460300000000, -0.0021701500000000 ] - [ -0.0012477400000000, -0.0014231000000000, -0.0013959100000000 ] - [ -0.0007762600000000, 0.0050587700000000, 0.0014005200000000 ] - [ 0.0002696600000000, -0.0055451600000000, 0.0011202500000000 ] - [ -0.0017831200000000, 0.0067041000000000, 0.0034035100000000 ] - [ 0.0009603200000000, 0.0000131000000000, 0.0013730700000000 ] - [ -0.0014008100000000, 0.0021207400000000, -0.0014626200000000 ] - [ -0.0030449000000000, 0.0005888300000000, -0.0017796700000000 ] - [ 0.0649432800000000, -0.0196254900000000, 0.0378026400000000 ] - [ 0.0023081700000000, -0.0011399100000000, 0.0004731600000000 ] - [ 0.0027940600000000, -0.0015035300000000, 0.0022752900000000 ] - [ 0.0074884300000000, 0.0012198100000000, 0.0032376800000000 ] - [ -0.0024990100000000, -0.0029253500000000, -0.0016046100000000 ] - [ -0.0019251200000000, 0.0011371300000000, -0.0024962000000000 ] - [ -0.0013027900000000, -0.0015401200000000, 0.0007690700000000 ] - [ -0.0000460500000000, -0.0013532200000000, 0.0010339600000000 ] - [ -0.0003655500000000, 0.0011777900000000, 0.0009708800000000 ] - [ -0.0013669100000000, 0.0018124200000000, 0.0008318100000000 ] - [ -0.0041741900000000, 0.0004208800000000, -0.0015810300000000 ] - [ -0.0019385300000000, 0.0021975600000000, -0.0015001600000000 ] - [ 0.0015064900000000, -0.0017317800000000, 0.0001102600000000 ] - [ 0.0006091400000000, -0.0002864300000000, 0.0000156100000000 ] - [ -0.0003541000000000, -0.0000909400000000, -0.0000581600000000 ] - [ -0.0002495600000000, -0.0000485600000000, -0.0000500100000000 ] - [ -0.0003762700000000, 0.0000539600000000, -0.0000859400000000 ] - [ -0.0002640100000000, 0.0000788600000000, -0.0000368700000000 ] - [ 0.0458859800000000, 0.0544874100000000, -0.0141245500000000 ] - [ 0.0005825600000000, 0.0002351700000000, 0.0000715400000000 ] - [ 0.0122922900000000, 0.0041518100000000, 0.0043511100000000 ] - [ 0.0021127000000000, -0.0004926900000000, 0.0014361800000000 ] - [ -0.0016074600000000, 0.0012532100000000, -0.0015082200000000 ] - [ -0.0016359500000000, -0.0011493100000000, -0.0015167700000000 ] - [ -0.0024306700000000, 0.0005157300000000, -0.0017617300000000 ] - [ -0.0006339200000000, -0.0006022100000000, -0.0011931400000000 ] - [ 0.0027785200000000, 0.0017427800000000, 0.0020506300000000 ] - [ -0.0021351600000000, -0.0055390300000000, 0.0027545200000000 ] - [ -0.0032703800000000, 0.0000113900000000, 0.0000013200000000 ] - [ -0.0033875700000000, 0.0006711600000000, -0.0000756900000000 ] - [ -0.0025473700000000, 0.0008368600000000, -0.0049572400000000 ] - [ 0.0011502700000000, -0.0001089500000000, -0.0004658900000000 ] - [ 0.0003614900000000, -0.0028439700000000, -0.0011250900000000 ] - [ -0.0071646700000000, 0.0057574500000000, 0.0017320100000000 ] - [ -0.0039537100000000, -0.0006005600000000, -0.0002523200000000 ] - [ -0.0028957200000000, -0.0001011200000000, 0.0001236800000000 ]- atom: 9 displacement: [ -0.0099999367125711, 0.0000000000000000, 0.0000355773041697 ] forces: - [ 0.0013634600000000, -0.0200166900000000, 0.0175276200000000 ] - [ 0.0016424300000000, 0.0000086700000000, -0.0006038200000000 ] - [ -0.0013241700000000, 0.0002524900000000, 0.0006954200000000 ] - [ -0.0009114600000000, -0.0001012600000000, 0.0006455800000000 ] - [ -0.0012354000000000, 0.0000028600000000, 0.0006577600000000 ] - [ -0.0010868400000000, -0.0001392100000000, 0.0007357200000000 ] - [ 0.0025507200000000, -0.0010837500000000, -0.0004948400000000 ] - [ 0.0082093200000000, -0.0015361400000000, 0.0000731100000000 ] - [ 0.1244819700000000, 0.0345324300000000, 0.0472438700000000 ] - [ 0.0008814700000000, -0.0005780300000000, 0.0015335700000000 ] - [ -0.0006174100000000, -0.0003383000000000, -0.0013739700000000 ] - [ -0.0006256300000000, -0.0005201100000000, -0.0014875000000000 ] - [ -0.0007357600000000, 0.0004167500000000, -0.0014941000000000 ] - [ -0.0004810800000000, 0.0004147400000000, -0.0013008800000000 ] - [ 0.0016029200000000, -0.0005099200000000, 0.0019367500000000 ] - [ 0.0021241700000000, -0.0004833600000000, 0.0032742200000000 ] - [ -0.0031024700000000, 0.0011891200000000, 0.0049191500000000 ] - [ -0.0018833900000000, 0.0003104400000000, 0.0046000300000000 ] - [ 0.0023833100000000, 0.0022691400000000, -0.0052812700000000 ] - [ 0.0017227500000000, -0.0030316600000000, -0.0055088000000000 ] - [ -0.0026587300000000, -0.0003769300000000, -0.0012581800000000 ] - [ 0.0020003300000000, -0.0007912300000000, -0.0046679800000000 ] - [ -0.0019018600000000, -0.0000856300000000, 0.0044209600000000 ] - [ -0.0023108900000000, -0.0009496100000000, 0.0046100300000000 ] - [ 0.0004394800000000, -0.0035493800000000, 0.0005377900000000 ] - [ 0.0008144000000000, -0.0032056100000000, 0.0006366700000000 ] - [ -0.0004582000000000, -0.0002095100000000, 0.0001815300000000 ] - [ -0.0010315000000000, -0.0053264600000000, -0.0006941400000000 ] - [ -0.0038705300000000, 0.0118626000000000, -0.0037957100000000 ] - [ -0.0003228800000000, 0.0012329800000000, -0.0004841000000000 ] - [ 0.0008948000000000, 0.0037985500000000, 0.0006604200000000 ] - [ -0.0004300400000000, 0.0023073700000000, 0.0004165200000000 ] - [ 0.0015883600000000, 0.0006613600000000, -0.0040839600000000 ] - [ 0.0012935900000000, -0.0002322600000000, -0.0043850400000000 ] - [ -0.0010538800000000, 0.0012978500000000, 0.0018012200000000 ] - [ -0.0015460800000000, -0.0000485500000000, 0.0043731000000000 ] - [ -0.0015341900000000, 0.0014243800000000, 0.0050182500000000 ] - [ -0.0024712200000000, -0.0035525200000000, 0.0041483900000000 ] - [ 0.0006901700000000, 0.0005608400000000, -0.0049641800000000 ] - [ 0.0016823400000000, -0.0004652100000000, -0.0041890300000000 ] - [ 0.0002973700000000, 0.0010459800000000, -0.0003330900000000 ] - [ -0.0015686100000000, 0.0002288400000000, -0.0007981600000000 ] - [ -0.0023343800000000, 0.0018096700000000, 0.0000806600000000 ] - [ -0.0003600100000000, 0.0005111800000000, 0.0003181500000000 ] - [ -0.0017138400000000, 0.0002373400000000, 0.0001045700000000 ] - [ -0.0015368100000000, -0.0016055900000000, -0.0000410300000000 ] - [ -0.0078555900000000, -0.0001343500000000, -0.0026413400000000 ] - [ 0.0003181400000000, -0.0007735200000000, -0.0003149000000000 ] - [ -0.0015691400000000, -0.0008905400000000, -0.0007820400000000 ] - [ -0.0013711300000000, -0.0008169800000000, -0.0008152100000000 ] - [ -0.0115888900000000, 0.0227270900000000, -0.0130045400000000 ] - [ 0.0016113500000000, -0.0013644200000000, 0.0005471300000000 ] - [ 0.0004388500000000, -0.0001961000000000, 0.0013642500000000 ] - [ 0.0040186300000000, 0.0028808000000000, 0.0005056600000000 ] - [ -0.0015446200000000, 0.0008603800000000, -0.0008111100000000 ] - [ -0.0013866200000000, 0.0008368100000000, -0.0007799400000000 ] - [ -0.0008618300000000, -0.0004743700000000, 0.0004509900000000 ] - [ -0.0008560800000000, -0.0005308600000000, 0.0004243300000000 ] - [ 0.0026363900000000, 0.0024067900000000, -0.0182917500000000 ] - [ 0.0009098400000000, -0.0007240900000000, -0.0005265200000000 ] - [ 0.0046029000000000, -0.0028126800000000, 0.0019335900000000 ] - [ 0.0022992700000000, 0.0012276500000000, 0.0011637400000000 ] - [ -0.0009533700000000, 0.0005052300000000, 0.0003563600000000 ] - [ -0.0007784700000000, 0.0004982500000000, 0.0005169400000000 ] - [ -0.0018445600000000, -0.0001114600000000, 0.0045229300000000 ] - [ -0.0022364300000000, 0.0012560600000000, 0.0050123400000000 ] - [ 0.0009413200000000, 0.0001246600000000, -0.0045695800000000 ] - [ 0.0012595200000000, 0.0003859700000000, -0.0045610400000000 ] - [ 0.0011593500000000, -0.0004220000000000, -0.0045619400000000 ] - [ 0.0009585400000000, -0.0000560900000000, -0.0044796700000000 ] - [ -0.0030979300000000, -0.0010618200000000, 0.0045029000000000 ] - [ -0.0017139300000000, -0.0003183000000000, 0.0044225400000000 ] - [ -0.0003427000000000, -0.0049616900000000, 0.0005032800000000 ] - [ 0.0009178600000000, -0.0018356900000000, 0.0007315200000000 ] - [ -0.0019472500000000, -0.0038833000000000, -0.0009490400000000 ] - [ -0.0016641200000000, -0.0039115600000000, -0.0008896300000000 ] - [ -0.0015804700000000, 0.0037079700000000, -0.0008774000000000 ] - [ -0.0019297900000000, 0.0040464900000000, -0.0009555900000000 ] - [ 0.0003398200000000, 0.0020276400000000, 0.0004560000000000 ] - [ 0.0014224500000000, 0.0046466000000000, 0.0007203500000000 ] - [ 0.0008008000000000, -0.0000140500000000, -0.0040538500000000 ] - [ 0.0016967800000000, 0.0003579700000000, -0.0039267000000000 ] - [ -0.0022250100000000, 0.0003726500000000, 0.0037444700000000 ] - [ -0.0024032800000000, 0.0007584800000000, 0.0036046600000000 ] - [ -0.0024357900000000, -0.0006932500000000, 0.0036422900000000 ] - [ -0.0021485200000000, -0.0003946500000000, 0.0037940500000000 ] - [ 0.0016685000000000, -0.0009388300000000, -0.0040743200000000 ] - [ 0.0009069000000000, 0.0012681800000000, -0.0059372500000000 ] - [ -0.0022981600000000, 0.0005164700000000, -0.0009745600000000 ] - [ -0.0008046800000000, 0.0008983000000000, -0.0006790000000000 ] - [ -0.0012835200000000, 0.0006909000000000, 0.0000965200000000 ] - [ -0.0026687200000000, 0.0010797500000000, -0.0003276900000000 ] - [ -0.0024584300000000, -0.0009346300000000, -0.0002703500000000 ] - [ -0.0009442200000000, -0.0008475700000000, 0.0001948900000000 ] - [ -0.0012225200000000, -0.0010086600000000, -0.0007829200000000 ] - [ -0.0014561600000000, -0.0002047000000000, -0.0010453300000000 ] - [ 0.0019620000000000, -0.0006442800000000, 0.0004428000000000 ] - [ 0.0016900500000000, -0.0003753500000000, 0.0005849800000000 ] - [ 0.0020129400000000, 0.0004923800000000, 0.0005982400000000 ] - [ 0.0016768400000000, 0.0005708900000000, 0.0003818200000000 ] - [ 0.0038599300000000, -0.0019115900000000, -0.0004057900000000 ] - [ -0.0007215000000000, -0.0013362400000000, -0.0011889700000000 ] - [ 0.0027568900000000, -0.0078819500000000, 0.0011805700000000 ] - [ 0.0016962000000000, 0.0028196500000000, 0.0014600900000000 ] - [ 0.0037654000000000, -0.0039933300000000, -0.0008429600000000 ] - [ 0.0009988700000000, 0.0027418300000000, 0.0012104400000000 ] - [ -0.0005633200000000, 0.0006262400000000, -0.0011209000000000 ] - [ 0.0010842400000000, 0.0021712000000000, -0.0008022300000000 ] - [ -0.0655685400000000, 0.0186960800000000, -0.0379455300000000 ] - [ -0.0023210400000000, 0.0000934600000000, -0.0004748200000000 ] - [ -0.0028028500000000, 0.0025774100000000, -0.0022654100000000 ] - [ -0.0075071700000000, -0.0001821300000000, -0.0032292400000000 ] - [ 0.0005470100000000, 0.0001844000000000, -0.0009763400000000 ] - [ -0.0000320000000000, -0.0039062500000000, -0.0000838000000000 ] - [ 0.0032857500000000, -0.0012128900000000, 0.0018194900000000 ] - [ 0.0020207600000000, -0.0014008000000000, 0.0015534800000000 ] - [ 0.0023442100000000, 0.0015786800000000, 0.0016170800000000 ] - [ 0.0033435500000000, 0.0009439300000000, 0.0017550200000000 ] - [ 0.0022201800000000, 0.0023405800000000, -0.0010058900000000 ] - [ -0.0000183700000000, 0.0005584500000000, -0.0010825100000000 ] - [ -0.0015174400000000, 0.0017298100000000, -0.0001289800000000 ] - [ -0.0006105400000000, 0.0002864200000000, -0.0000164000000000 ] - [ 0.0003552100000000, 0.0000919200000000, 0.0000594200000000 ] - [ 0.0002509500000000, 0.0000474500000000, 0.0000492600000000 ] - [ 0.0003769800000000, -0.0000532600000000, 0.0000857900000000 ] - [ 0.0002662400000000, -0.0000802400000000, 0.0000367300000000 ] - [ -0.0457270300000000, -0.0529214300000000, 0.0136397800000000 ] - [ -0.0005848900000000, -0.0002347200000000, -0.0000714900000000 ] - [ -0.0145133800000000, -0.0040186900000000, -0.0033980100000000 ] - [ -0.0038365000000000, 0.0009021600000000, 0.0000342900000000 ] - [ 0.0033254600000000, -0.0008512500000000, 0.0000312400000000 ] - [ 0.0033373900000000, 0.0015746100000000, 0.0000393100000000 ] - [ 0.0041476400000000, -0.0009293400000000, 0.0002869900000000 ] - [ 0.0023348900000000, 0.0001917900000000, -0.0002875600000000 ] - [ -0.0045127400000000, -0.0021710500000000, -0.0005859700000000 ] - [ 0.0003261800000000, 0.0051252700000000, -0.0012802300000000 ] - [ 0.0015927100000000, 0.0004007800000000, 0.0014861000000000 ] - [ 0.0017063300000000, -0.0002612600000000, 0.0015614800000000 ] - [ 0.0042956600000000, -0.0004429700000000, 0.0035129700000000 ] - [ 0.0005497000000000, 0.0005268300000000, -0.0010119000000000 ] - [ 0.0013409300000000, 0.0024412200000000, -0.0003527900000000 ] - [ 0.0088831800000000, -0.0061882700000000, -0.0032107600000000 ] - [ 0.0022805300000000, 0.0001903300000000, 0.0017389500000000 ] - [ 0.0012111500000000, -0.0003100600000000, 0.0013623400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0170055900000000, 0.0251745900000000, -0.0323561500000000 ] - [ 0.0001583600000000, 0.0010986200000000, -0.0010070200000000 ] - [ 0.0002659700000000, -0.0005234700000000, 0.0007057200000000 ] - [ 0.0002670700000000, -0.0003279900000000, 0.0007697300000000 ] - [ 0.0000308700000000, 0.0001936000000000, 0.0007975500000000 ] - [ 0.0004244500000000, 0.0006067700000000, 0.0007207800000000 ] - [ -0.0022067200000000, 0.0028623700000000, -0.0007385900000000 ] - [ -0.0017549400000000, 0.0048058400000000, 0.0064730900000000 ] - [ -0.0376131300000000, -0.2646304400000000, 0.1558150800000000 ] - [ -0.0000134900000000, 0.0009963500000000, 0.0005411800000000 ] - [ 0.0000601300000000, -0.0004420300000000, -0.0009774200000000 ] - [ 0.0002536100000000, -0.0004489200000000, -0.0008329700000000 ] - [ 0.0001658600000000, 0.0002966500000000, -0.0008259900000000 ] - [ 0.0001863000000000, 0.0006097600000000, -0.0009445000000000 ] - [ -0.0010945900000000, 0.0024255600000000, 0.0002374300000000 ] - [ -0.0010705500000000, 0.0031042100000000, -0.0003184300000000 ] - [ -0.0014164600000000, -0.0001305400000000, 0.0044490900000000 ] - [ -0.0017737300000000, 0.0008038800000000, 0.0046678100000000 ] - [ 0.0013148500000000, 0.0014672600000000, -0.0049988000000000 ] - [ 0.0026423800000000, 0.0010920500000000, -0.0053487100000000 ] - [ 0.0026485800000000, -0.0035301900000000, -0.0044786000000000 ] - [ 0.0012674500000000, 0.0009156500000000, -0.0041933600000000 ] - [ -0.0018805500000000, -0.0005700200000000, 0.0044426500000000 ] - [ -0.0012096200000000, -0.0001123500000000, 0.0045004700000000 ] - [ 0.0016593300000000, -0.0042375300000000, 0.0008486100000000 ] - [ 0.0008573500000000, -0.0030575200000000, 0.0006804300000000 ] - [ -0.0029276700000000, -0.0058263800000000, -0.0007535700000000 ] - [ -0.0004169100000000, -0.0003559400000000, -0.0005077100000000 ] - [ -0.0072169400000000, 0.0039735700000000, -0.0045257600000000 ] - [ -0.0012895200000000, 0.0058462300000000, -0.0007694500000000 ] - [ 0.0010340500000000, 0.0039640900000000, 0.0007209300000000 ] - [ 0.0014305100000000, 0.0034364800000000, 0.0008042800000000 ] - [ 0.0015649200000000, 0.0001374100000000, -0.0040590200000000 ] - [ 0.0022220700000000, 0.0007120500000000, -0.0037616800000000 ] - [ -0.0013993500000000, -0.0025573100000000, 0.0045461200000000 ] - [ -0.0020254200000000, 0.0018575400000000, 0.0034736400000000 ] - [ -0.0025580300000000, 0.0008622400000000, 0.0039490600000000 ] - [ -0.0009023900000000, 0.0007392400000000, 0.0060591900000000 ] - [ 0.0020355500000000, -0.0009158000000000, -0.0038406400000000 ] - [ 0.0017548900000000, 0.0000601800000000, -0.0041362000000000 ] - [ -0.0009624000000000, 0.0008711800000000, -0.0007159100000000 ] - [ 0.0028252400000000, 0.0008182100000000, 0.0004363900000000 ] - [ -0.0000967900000000, -0.0001678900000000, 0.0003204200000000 ] - [ 0.0000129000000000, 0.0013967500000000, 0.0004148800000000 ] - [ -0.0029019500000000, -0.0002793600000000, -0.0001353000000000 ] - [ 0.0010898300000000, -0.0001536700000000, 0.0008574300000000 ] - [ 0.0024912600000000, -0.0014038800000000, 0.0001902100000000 ] - [ -0.0004254700000000, -0.0003800100000000, -0.0005621400000000 ] - [ -0.0001220500000000, -0.0004391400000000, -0.0007288700000000 ] - [ -0.0000791500000000, -0.0002817400000000, -0.0007560300000000 ] - [ -0.0181033100000000, 0.0089634900000000, -0.0123593500000000 ] - [ -0.0003676300000000, 0.0012611400000000, 0.0013080200000000 ] - [ 0.0022665400000000, 0.0033356400000000, -0.0003612900000000 ] - [ -0.0023053500000000, -0.0015666700000000, 0.0006388200000000 ] - [ -0.0000118600000000, 0.0002256400000000, -0.0007503300000000 ] - [ -0.0002162900000000, 0.0005148400000000, -0.0007178400000000 ] - [ -0.0000612200000000, -0.0004554300000000, 0.0009552100000000 ] - [ -0.0001178900000000, -0.0004524200000000, 0.0009346600000000 ] - [ 0.0029409600000000, -0.0116879200000000, 0.0054984700000000 ] - [ -0.0001413300000000, 0.0011245900000000, -0.0005359200000000 ] - [ 0.0034819300000000, 0.0048838000000000, -0.0049731900000000 ] - [ -0.0006369000000000, 0.0013526700000000, -0.0009784900000000 ] - [ -0.0000770900000000, 0.0003028300000000, 0.0009099300000000 ] - [ -0.0000891900000000, 0.0005849300000000, 0.0009927900000000 ] - [ -0.0009484500000000, 0.0004654100000000, 0.0042860400000000 ] - [ -0.0023445500000000, 0.0006175300000000, 0.0050878600000000 ] - [ 0.0016016700000000, 0.0001505800000000, -0.0044921400000000 ] - [ 0.0017741100000000, 0.0006855800000000, -0.0046227600000000 ] - [ 0.0019082300000000, -0.0005358900000000, -0.0045682200000000 ] - [ 0.0014157000000000, -0.0002494800000000, -0.0045393800000000 ] - [ -0.0027583100000000, -0.0026296200000000, 0.0048060000000000 ] - [ -0.0013379100000000, 0.0006701800000000, 0.0043950300000000 ] - [ 0.0037175100000000, -0.0051836000000000, 0.0015438900000000 ] - [ 0.0005374300000000, -0.0013448600000000, 0.0005641300000000 ] - [ -0.0014210200000000, -0.0040569200000000, -0.0007914600000000 ] - [ -0.0008432100000000, -0.0031578800000000, -0.0006818400000000 ] - [ -0.0010341700000000, 0.0037737700000000, -0.0007228800000000 ] - [ -0.0011445900000000, 0.0033274100000000, -0.0007519200000000 ] - [ 0.0018769400000000, 0.0023747000000000, 0.0007655200000000 ] - [ 0.0011523400000000, 0.0051681600000000, 0.0006896600000000 ] - [ 0.0016821100000000, -0.0017566300000000, -0.0039283800000000 ] - [ 0.0020746800000000, 0.0016147700000000, -0.0036524000000000 ] - [ -0.0016085100000000, 0.0001890000000000, 0.0041481400000000 ] - [ -0.0020519800000000, 0.0005509800000000, 0.0038926800000000 ] - [ -0.0018523700000000, -0.0006093100000000, 0.0039508400000000 ] - [ -0.0017428800000000, -0.0000599400000000, 0.0041119500000000 ] - [ 0.0021773100000000, -0.0001740400000000, -0.0035168700000000 ] - [ 0.0010303500000000, 0.0004138500000000, -0.0058469800000000 ] - [ 0.0007302500000000, -0.0000128700000000, -0.0001461500000000 ] - [ 0.0001714100000000, 0.0012538400000000, -0.0003643000000000 ] - [ 0.0010923900000000, 0.0008574200000000, 0.0007631400000000 ] - [ -0.0018064300000000, 0.0007507700000000, -0.0001221500000000 ] - [ -0.0004187400000000, -0.0010660500000000, 0.0002851700000000 ] - [ 0.0003853200000000, -0.0005233000000000, 0.0005496100000000 ] - [ 0.0011633600000000, -0.0009463400000000, -0.0001445000000000 ] - [ -0.0006827300000000, -0.0003437500000000, -0.0007732500000000 ] - [ -0.0000744700000000, -0.0004209700000000, 0.0000206000000000 ] - [ -0.0001416900000000, -0.0006054300000000, -0.0000536800000000 ] - [ -0.0000622700000000, 0.0008400900000000, -0.0000555500000000 ] - [ -0.0001298400000000, 0.0002137600000000, -0.0000207000000000 ] - [ -0.0018937000000000, -0.0003321600000000, -0.0014341900000000 ] - [ -0.0004982100000000, -0.0022421500000000, -0.0012134100000000 ] - [ 0.0044293700000000, -0.0054843600000000, 0.0020067500000000 ] - [ 0.0000100500000000, -0.0043174700000000, 0.0004839200000000 ] - [ 0.0016150300000000, 0.0069340900000000, 0.0013530100000000 ] - [ 0.0004023300000000, -0.0019549200000000, 0.0012951200000000 ] - [ 0.0000538100000000, 0.0012450900000000, -0.0010647300000000 ] - [ -0.0028349000000000, 0.0012194900000000, -0.0015995800000000 ] - [ -0.0234178100000000, 0.1299805800000000, -0.1001508400000000 ] - [ 0.0001889800000000, -0.0040345100000000, -0.0000705500000000 ] - [ 0.0015995200000000, -0.0061563600000000, 0.0034537100000000 ] - [ 0.0051375300000000, -0.0003928400000000, 0.0012709000000000 ] - [ -0.0023266400000000, -0.0008660300000000, -0.0015020800000000 ] - [ -0.0004379400000000, -0.0033282000000000, -0.0003525300000000 ] - [ 0.0012041500000000, -0.0007900900000000, 0.0013476200000000 ] - [ 0.0005232900000000, -0.0019372100000000, 0.0012103600000000 ] - [ -0.0000650500000000, 0.0013334200000000, 0.0010886000000000 ] - [ 0.0021006900000000, 0.0013596000000000, 0.0014571300000000 ] - [ -0.0022941200000000, 0.0061068000000000, -0.0023503200000000 ] - [ -0.0006646400000000, -0.0011830200000000, -0.0013502900000000 ] - [ -0.0009676800000000, 0.0008232100000000, 0.0005151800000000 ] - [ 0.0005121600000000, -0.0010337700000000, -0.0003236100000000 ] - [ -0.0000228500000000, 0.0000412900000000, -0.0000286700000000 ] - [ -0.0000199500000000, -0.0000486000000000, 0.0000193300000000 ] - [ -0.0000431300000000, 0.0000517700000000, 0.0000134200000000 ] - [ 0.0000081900000000, -0.0000449300000000, -0.0000224400000000 ] - [ 0.0560277500000000, 0.0940237200000000, -0.0248458300000000 ] - [ -0.0002292800000000, -0.0008016100000000, 0.0003154800000000 ] - [ 0.0058743500000000, 0.0180854500000000, 0.0058848200000000 ] - [ 0.0007378300000000, -0.0039333400000000, 0.0007374200000000 ] - [ 0.0022153700000000, 0.0006535900000000, -0.0002783400000000 ] - [ -0.0001834300000000, -0.0002844500000000, -0.0010722100000000 ] - [ 0.0007134200000000, 0.0008238900000000, -0.0007750700000000 ] - [ 0.0006386700000000, -0.0011251000000000, -0.0008143600000000 ] - [ 0.0018320500000000, -0.0024497600000000, 0.0018014600000000 ] - [ -0.0138751800000000, -0.0053870800000000, 0.0010062500000000 ] - [ -0.0015815700000000, 0.0004338500000000, 0.0005141500000000 ] - [ -0.0003445000000000, -0.0000274800000000, 0.0009024400000000 ] - [ 0.0012073400000000, 0.0055822900000000, 0.0010935100000000 ] - [ -0.0008222300000000, -0.0029149200000000, -0.0006100200000000 ] - [ -0.0029510100000000, -0.0031542800000000, -0.0028997100000000 ] - [ 0.0095850700000000, -0.0030340500000000, -0.0021234600000000 ] - [ -0.0011654500000000, 0.0004610600000000, 0.0006129100000000 ] - [ -0.0009375900000000, -0.0008847600000000, 0.0007231800000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0177800500000000, -0.0263538300000000, 0.0315731000000000 ] - [ -0.0004939700000000, -0.0018819200000000, -0.0004748400000000 ] - [ 0.0000733000000000, -0.0002621900000000, 0.0007763400000000 ] - [ 0.0000731600000000, -0.0004561000000000, 0.0007102500000000 ] - [ 0.0003080300000000, 0.0005881300000000, 0.0006875900000000 ] - [ -0.0000882600000000, 0.0001740900000000, 0.0007636900000000 ] - [ 0.0018752800000000, -0.0020852400000000, -0.0007428900000000 ] - [ 0.0014254100000000, -0.0040735900000000, -0.0080698200000000 ] - [ 0.0324450400000000, 0.2625843300000000, -0.1580797800000000 ] - [ -0.0002426700000000, -0.0019182700000000, 0.0013051000000000 ] - [ 0.0001910600000000, -0.0004686000000000, -0.0008634900000000 ] - [ -0.0000043800000000, -0.0004622800000000, -0.0010106100000000 ] - [ 0.0000826700000000, 0.0006218700000000, -0.0010227000000000 ] - [ 0.0000703200000000, 0.0003103900000000, -0.0009027600000000 ] - [ 0.0008493800000000, -0.0015216600000000, 0.0016093800000000 ] - [ 0.0008313100000000, -0.0022215600000000, 0.0021611800000000 ] - [ -0.0019006800000000, 0.0009505600000000, 0.0046804100000000 ] - [ -0.0015444700000000, 0.0000181200000000, 0.0044610800000000 ] - [ 0.0020062800000000, -0.0006419000000000, -0.0041299300000000 ] - [ 0.0006716300000000, -0.0002604800000000, -0.0037677900000000 ] - [ 0.0006873400000000, 0.0027186400000000, -0.0046638800000000 ] - [ 0.0020523300000000, -0.0017384600000000, -0.0049379300000000 ] - [ -0.0014380600000000, -0.0002529800000000, 0.0046871500000000 ] - [ -0.0021093200000000, -0.0007102500000000, 0.0046285000000000 ] - [ 0.0006011000000000, -0.0029243100000000, 0.0006391200000000 ] - [ 0.0014046500000000, -0.0040976000000000, 0.0008077200000000 ] - [ 0.0006673000000000, -0.0013355500000000, -0.0007340000000000 ] - [ -0.0018519000000000, -0.0068183800000000, -0.0009810600000000 ] - [ 0.0049282800000000, 0.0031956400000000, 0.0030165900000000 ] - [ -0.0009721600000000, 0.0013118000000000, -0.0007196000000000 ] - [ 0.0012303100000000, 0.0032013100000000, 0.0007673300000000 ] - [ 0.0008372800000000, 0.0037272700000000, 0.0006845800000000 ] - [ 0.0020904400000000, 0.0005598100000000, -0.0039863300000000 ] - [ 0.0014320900000000, -0.0000138600000000, -0.0042820500000000 ] - [ -0.0022594700000000, 0.0032603900000000, 0.0034999100000000 ] - [ -0.0016306300000000, -0.0011605800000000, 0.0045734800000000 ] - [ -0.0010960000000000, -0.0015567900000000, 0.0040961700000000 ] - [ -0.0027550900000000, -0.0014437600000000, 0.0019722700000000 ] - [ 0.0016210800000000, 0.0002154700000000, -0.0042032000000000 ] - [ 0.0019009400000000, -0.0007579300000000, -0.0039075200000000 ] - [ 0.0013244400000000, 0.0007091700000000, -0.0000625400000000 ] - [ -0.0024811000000000, 0.0007619100000000, -0.0012203800000000 ] - [ -0.0002602800000000, 0.0017472400000000, 0.0004579200000000 ] - [ -0.0003741000000000, 0.0001823800000000, 0.0003641600000000 ] - [ 0.0025400100000000, -0.0013004100000000, 0.0009146000000000 ] - [ -0.0014466600000000, -0.0014273500000000, -0.0000785100000000 ] - [ -0.0021148000000000, -0.0001816200000000, -0.0009650400000000 ] - [ 0.0007864600000000, -0.0011984400000000, -0.0002163500000000 ] - [ -0.0002150000000000, -0.0003417800000000, -0.0007552900000000 ] - [ -0.0002571800000000, -0.0005001700000000, -0.0007285100000000 ] - [ 0.0188334800000000, -0.0099433200000000, 0.0140916500000000 ] - [ 0.0007058200000000, -0.0020456500000000, 0.0001739400000000 ] - [ -0.0019313000000000, -0.0025498100000000, 0.0018437900000000 ] - [ 0.0026545400000000, 0.0023652900000000, 0.0008364400000000 ] - [ -0.0003276100000000, 0.0005584000000000, -0.0007292800000000 ] - [ -0.0001214100000000, 0.0002705400000000, -0.0007638900000000 ] - [ -0.0001957700000000, -0.0004633600000000, 0.0008906900000000 ] - [ -0.0001304500000000, -0.0004657100000000, 0.0009129200000000 ] - [ -0.0027913000000000, 0.0108592400000000, -0.0074765400000000 ] - [ 0.0003859800000000, -0.0020277500000000, -0.0013068000000000 ] - [ -0.0031262100000000, -0.0038477300000000, 0.0030286200000000 ] - [ 0.0008914600000000, -0.0004357500000000, -0.0008728400000000 ] - [ -0.0001705200000000, 0.0006091100000000, 0.0009363700000000 ] - [ -0.0001600700000000, 0.0003268400000000, 0.0008503300000000 ] - [ -0.0023709400000000, 0.0003525200000000, 0.0048423400000000 ] - [ -0.0009713500000000, 0.0002069600000000, 0.0040374100000000 ] - [ 0.0017159900000000, 0.0006740200000000, -0.0046358100000000 ] - [ 0.0015437700000000, 0.0001353600000000, -0.0045057500000000 ] - [ 0.0014090500000000, -0.0002840100000000, -0.0045614700000000 ] - [ 0.0019060700000000, -0.0005744500000000, -0.0045922800000000 ] - [ -0.0005567000000000, 0.0018200500000000, 0.0043278500000000 ] - [ -0.0019821100000000, -0.0014971200000000, 0.0047340600000000 ] - [ -0.0014564000000000, -0.0019652400000000, -0.0000572300000000 ] - [ 0.0017253200000000, -0.0058307400000000, 0.0009245700000000 ] - [ -0.0008420600000000, -0.0031017900000000, -0.0006962500000000 ] - [ -0.0014220500000000, -0.0040082900000000, -0.0008064800000000 ] - [ -0.0012290700000000, 0.0033832600000000, -0.0007654500000000 ] - [ -0.0011169000000000, 0.0038343700000000, -0.0007356100000000 ] - [ 0.0003798300000000, 0.0047885700000000, 0.0007191000000000 ] - [ 0.0011121400000000, 0.0019847600000000, 0.0007984500000000 ] - [ 0.0019776700000000, 0.0024632700000000, -0.0041218500000000 ] - [ 0.0015792400000000, -0.0009220000000000, -0.0043928100000000 ] - [ -0.0020485100000000, 0.0005109200000000, 0.0038961100000000 ] - [ -0.0016013900000000, 0.0001445900000000, 0.0041559800000000 ] - [ -0.0018028700000000, -0.0000878500000000, 0.0040916800000000 ] - [ -0.0019129500000000, -0.0006395100000000, 0.0039319800000000 ] - [ 0.0014768100000000, -0.0005276700000000, -0.0045278800000000 ] - [ 0.0026270700000000, -0.0011134200000000, -0.0021881300000000 ] - [ -0.0003713000000000, 0.0015966900000000, -0.0006341800000000 ] - [ 0.0001846100000000, 0.0003234400000000, -0.0004157900000000 ] - [ -0.0014555900000000, 0.0007222900000000, 0.0000148700000000 ] - [ 0.0014558100000000, 0.0008292000000000, 0.0009050100000000 ] - [ 0.0000535800000000, -0.0005121000000000, 0.0004930400000000 ] - [ -0.0007460600000000, -0.0010581200000000, 0.0002296600000000 ] - [ -0.0008116800000000, -0.0006341100000000, -0.0006364900000000 ] - [ 0.0010486100000000, -0.0012385100000000, -0.0000037900000000 ] - [ 0.0000707600000000, -0.0006215500000000, -0.0000229400000000 ] - [ 0.0001435700000000, -0.0004330400000000, 0.0000569900000000 ] - [ 0.0000583300000000, 0.0001979100000000, 0.0000515000000000 ] - [ 0.0001339100000000, 0.0008286600000000, 0.0000230000000000 ] - [ -0.0000751300000000, -0.0024222000000000, -0.0011476400000000 ] - [ -0.0014660800000000, -0.0005096900000000, -0.0013679700000000 ] - [ -0.0024714200000000, 0.0027338900000000, 0.0005741600000000 ] - [ 0.0019511000000000, 0.0015696100000000, 0.0021058000000000 ] - [ 0.0003388000000000, -0.0041777500000000, 0.0012435600000000 ] - [ 0.0015640700000000, 0.0047180400000000, 0.0012872000000000 ] - [ -0.0020157300000000, 0.0015073200000000, -0.0015164400000000 ] - [ 0.0008783000000000, 0.0015312000000000, -0.0009810300000000 ] - [ 0.0252392800000000, -0.1335761100000000, 0.1053623000000000 ] - [ -0.0001912100000000, 0.0029979200000000, 0.0000730100000000 ] - [ -0.0015782400000000, 0.0072039800000000, -0.0034413200000000 ] - [ -0.0051546600000000, 0.0014325800000000, -0.0012817700000000 ] - [ 0.0003702600000000, -0.0018797500000000, -0.0010777000000000 ] - [ -0.0015250900000000, 0.0005791400000000, -0.0022327600000000 ] - [ 0.0007600800000000, -0.0019620100000000, 0.0012341800000000 ] - [ 0.0014392000000000, -0.0008117000000000, 0.0013713300000000 ] - [ 0.0020321900000000, 0.0014191200000000, 0.0014937600000000 ] - [ -0.0001464300000000, 0.0013968100000000, 0.0011226200000000 ] - [ 0.0003326600000000, -0.0033668300000000, -0.0002291800000000 ] - [ -0.0012978500000000, 0.0039469300000000, -0.0012307600000000 ] - [ 0.0009603400000000, -0.0008232300000000, -0.0005465800000000 ] - [ -0.0005141800000000, 0.0010377000000000, 0.0003247400000000 ] - [ 0.0000222600000000, -0.0000406800000000, 0.0000297100000000 ] - [ 0.0000202000000000, 0.0000478000000000, -0.0000192900000000 ] - [ 0.0000416500000000, -0.0000499700000000, -0.0000151400000000 ] - [ -0.0000075400000000, 0.0000449800000000, 0.0000233700000000 ] - [ -0.0528553800000000, -0.0900470600000000, 0.0232795200000000 ] - [ 0.0002306400000000, 0.0008044500000000, -0.0003168200000000 ] - [ -0.0076766300000000, -0.0176009000000000, -0.0045221400000000 ] - [ -0.0024458300000000, 0.0043525100000000, 0.0007387700000000 ] - [ -0.0005131200000000, -0.0002411400000000, -0.0012027100000000 ] - [ 0.0018779400000000, 0.0006977800000000, -0.0004076000000000 ] - [ 0.0009826400000000, -0.0012371100000000, -0.0007059000000000 ] - [ 0.0010625900000000, 0.0007158300000000, -0.0006660100000000 ] - [ -0.0035404300000000, 0.0020434100000000, -0.0003302900000000 ] - [ 0.0122420100000000, 0.0049947100000000, 0.0004737100000000 ] - [ -0.0001158300000000, -0.0000229500000000, 0.0009668600000000 ] - [ -0.0013588300000000, 0.0004419800000000, 0.0005763500000000 ] - [ 0.0005334800000000, -0.0052084900000000, -0.0025573700000000 ] - [ 0.0025243700000000, 0.0033405400000000, -0.0008679400000000 ] - [ 0.0046542100000000, 0.0027475000000000, 0.0014224300000000 ] - [ -0.0079233600000000, 0.0026433700000000, 0.0006599900000000 ] - [ -0.0005317600000000, -0.0008763200000000, 0.0008657700000000 ] - [ -0.0007651300000000, 0.0004764200000000, 0.0007556100000000 ]- atom: 9 displacement: [ -0.0030072416887981, 0.0000000000000000, 0.0095371115871188 ] forces: - [ -0.0151669300000000, -0.0337655200000000, 0.0170206100000000 ] - [ -0.0006202200000000, -0.0008860900000000, -0.0008332400000000 ] - [ 0.0006530200000000, -0.0005664800000000, 0.0008018400000000 ] - [ 0.0004572500000000, -0.0004996200000000, 0.0007694900000000 ] - [ 0.0007896300000000, 0.0006171000000000, 0.0007334500000000 ] - [ 0.0004875700000000, 0.0004815300000000, 0.0007395600000000 ] - [ -0.0001816400000000, -0.0000249600000000, -0.0002071900000000 ] - [ -0.0061952700000000, 0.0131105300000000, 0.0073439400000000 ] - [ -0.0088530000000000, 0.1623876500000000, -0.2297496000000000 ] - [ -0.0003972200000000, -0.0008533900000000, 0.0008125200000000 ] - [ 0.0004351600000000, -0.0005028800000000, -0.0007131600000000 ] - [ 0.0003190500000000, -0.0004099500000000, -0.0007465600000000 ] - [ 0.0004022600000000, 0.0005325800000000, -0.0007886700000000 ] - [ 0.0003009900000000, 0.0004318300000000, -0.0008135000000000 ] - [ -0.0005589100000000, 0.0008186400000000, 0.0017924100000000 ] - [ -0.0016655300000000, 0.0013363300000000, 0.0044372500000000 ] - [ -0.0009855500000000, 0.0002084900000000, 0.0042405000000000 ] - [ -0.0015213200000000, 0.0002756000000000, 0.0044763300000000 ] - [ 0.0013947900000000, -0.0009814300000000, -0.0037339500000000 ] - [ 0.0013342700000000, 0.0020881400000000, -0.0030363400000000 ] - [ 0.0008881100000000, 0.0003929800000000, -0.0067326400000000 ] - [ 0.0017386400000000, -0.0008731100000000, -0.0048301600000000 ] - [ -0.0015630300000000, -0.0004823300000000, 0.0047505200000000 ] - [ -0.0017669800000000, -0.0004123200000000, 0.0046916100000000 ] - [ 0.0009866800000000, -0.0032212600000000, 0.0007662400000000 ] - [ 0.0013048900000000, -0.0039183200000000, 0.0008011800000000 ] - [ -0.0017205400000000, -0.0032814700000000, -0.0006675100000000 ] - [ -0.0015332400000000, -0.0051338400000000, -0.0008697100000000 ] - [ 0.0037863500000000, -0.0018096900000000, 0.0014786900000000 ] - [ -0.0012618600000000, 0.0035660200000000, -0.0009074500000000 ] - [ 0.0012595000000000, 0.0032833600000000, 0.0007828200000000 ] - [ 0.0019028000000000, 0.0043720600000000, 0.0008548600000000 ] - [ 0.0020026500000000, 0.0002997100000000, -0.0040753000000000 ] - [ 0.0017522900000000, 0.0003187600000000, -0.0041395000000000 ] - [ -0.0027416800000000, 0.0011461800000000, 0.0067252000000000 ] - [ -0.0018909900000000, -0.0001530300000000, 0.0042851100000000 ] - [ -0.0015202300000000, -0.0017453300000000, 0.0032943800000000 ] - [ -0.0019351200000000, 0.0007823600000000, 0.0013780800000000 ] - [ 0.0023647100000000, -0.0006619200000000, -0.0034762400000000 ] - [ 0.0019005800000000, -0.0004808000000000, -0.0038899700000000 ] - [ 0.0003533700000000, 0.0007039700000000, -0.0003444100000000 ] - [ -0.0013554100000000, 0.0008320400000000, -0.0008673700000000 ] - [ -0.0002752000000000, 0.0007549400000000, 0.0006434800000000 ] - [ -0.0003301300000000, 0.0005856700000000, 0.0003802000000000 ] - [ 0.0020411400000000, -0.0016986100000000, 0.0007859000000000 ] - [ -0.0001580700000000, -0.0007700400000000, 0.0002126800000000 ] - [ 0.0048483100000000, -0.0009948700000000, 0.0010255400000000 ] - [ 0.0004010100000000, -0.0009764200000000, -0.0003399800000000 ] - [ 0.0003241000000000, -0.0001816800000000, -0.0007173300000000 ] - [ 0.0001693800000000, -0.0002919500000000, -0.0007056500000000 ] - [ 0.0044890100000000, -0.0016365800000000, -0.0045347300000000 ] - [ 0.0000114700000000, -0.0007860700000000, 0.0003483800000000 ] - [ -0.0008155700000000, -0.0002109300000000, 0.0015126000000000 ] - [ -0.0031150100000000, -0.0010405300000000, 0.0028407200000000 ] - [ 0.0003203800000000, 0.0002681700000000, -0.0007234900000000 ] - [ 0.0002388800000000, 0.0002039300000000, -0.0007439200000000 ] - [ 0.0001260300000000, -0.0004580400000000, 0.0011097000000000 ] - [ 0.0001162300000000, -0.0004428200000000, 0.0010989300000000 ] - [ 0.0178004200000000, -0.0058118600000000, 0.0300399000000000 ] - [ -0.0000269100000000, -0.0008970600000000, -0.0012622500000000 ] - [ -0.0012554200000000, -0.0043135100000000, -0.0024674700000000 ] - [ -0.0012162200000000, 0.0006336100000000, -0.0014008300000000 ] - [ 0.0001765600000000, 0.0004739700000000, 0.0011186700000000 ] - [ 0.0000701200000000, 0.0003981300000000, 0.0010232000000000 ] - [ -0.0020170100000000, 0.0010192100000000, 0.0050343600000000 ] - [ -0.0014449100000000, -0.0004037700000000, 0.0046626800000000 ] - [ 0.0020815400000000, 0.0006585900000000, -0.0046840100000000 ] - [ 0.0017437600000000, 0.0003457700000000, -0.0045702700000000 ] - [ 0.0017013200000000, -0.0003191800000000, -0.0045002500000000 ] - [ 0.0019152300000000, -0.0005814500000000, -0.0045771100000000 ] - [ -0.0003976300000000, 0.0003399700000000, 0.0035935600000000 ] - [ -0.0017546600000000, -0.0007552500000000, 0.0045675700000000 ] - [ 0.0000700900000000, -0.0025385600000000, 0.0001461900000000 ] - [ 0.0012575700000000, -0.0045408100000000, 0.0007559600000000 ] - [ -0.0008353200000000, -0.0034159300000000, -0.0006658300000000 ] - [ -0.0010796900000000, -0.0035746600000000, -0.0007175200000000 ] - [ -0.0010260700000000, 0.0035677600000000, -0.0007090400000000 ] - [ -0.0006872800000000, 0.0033084000000000, -0.0006494100000000 ] - [ 0.0021712600000000, 0.0057903800000000, 0.0014110600000000 ] - [ 0.0010084500000000, 0.0027062600000000, 0.0007290700000000 ] - [ 0.0015818000000000, 0.0011454000000000, -0.0034223800000000 ] - [ 0.0017237200000000, -0.0000437100000000, -0.0041080900000000 ] - [ -0.0017743300000000, 0.0004379100000000, 0.0040170300000000 ] - [ -0.0016085000000000, 0.0001538100000000, 0.0041625100000000 ] - [ -0.0015007100000000, -0.0000591900000000, 0.0043162700000000 ] - [ -0.0017685900000000, -0.0004154800000000, 0.0040814400000000 ] - [ 0.0018890300000000, 0.0002651000000000, -0.0044938000000000 ] - [ 0.0022118800000000, -0.0013455400000000, -0.0037237600000000 ] - [ 0.0006018400000000, 0.0012585000000000, -0.0003673800000000 ] - [ 0.0003479900000000, 0.0006299700000000, -0.0003410000000000 ] - [ -0.0004643700000000, 0.0008168100000000, 0.0002973200000000 ] - [ 0.0007651600000000, 0.0006815000000000, 0.0006510300000000 ] - [ 0.0018563100000000, -0.0006151000000000, 0.0010137900000000 ] - [ -0.0001660800000000, -0.0008191000000000, 0.0003869900000000 ] - [ 0.0008237200000000, -0.0003916000000000, -0.0002500200000000 ] - [ 0.0008586200000000, -0.0010911300000000, -0.0001529400000000 ] - [ -0.0007041700000000, -0.0005241800000000, -0.0001941400000000 ] - [ -0.0004719900000000, -0.0005424900000000, -0.0002036900000000 ] - [ -0.0007628700000000, 0.0004026800000000, -0.0001602400000000 ] - [ -0.0004841600000000, 0.0006113000000000, -0.0001023000000000 ] - [ -0.0033597000000000, -0.0013926500000000, -0.0014790100000000 ] - [ -0.0012752400000000, -0.0009743900000000, -0.0013523400000000 ] - [ -0.0016521600000000, 0.0042746100000000, 0.0010236300000000 ] - [ 0.0006546200000000, -0.0018451200000000, 0.0022077300000000 ] - [ 0.0022612900000000, 0.0013956600000000, 0.0001432000000000 ] - [ 0.0014172100000000, 0.0026231800000000, 0.0013348400000000 ] - [ -0.0013284300000000, 0.0017494800000000, -0.0014135900000000 ] - [ -0.0003174600000000, 0.0012714900000000, -0.0013069100000000 ] - [ 0.0234033800000000, -0.0914916700000000, 0.1575145200000000 ] - [ 0.0003698200000000, 0.0004904100000000, 0.0003183400000000 ] - [ 0.0000985700000000, 0.0020671500000000, -0.0040327200000000 ] - [ 0.0094976300000000, -0.0040639000000000, -0.0032586600000000 ] - [ -0.0018041400000000, -0.0038203300000000, -0.0015016800000000 ] - [ -0.0014713300000000, 0.0000958400000000, -0.0016759200000000 ] - [ -0.0004442500000000, -0.0016434500000000, 0.0010396700000000 ] - [ 0.0008345900000000, -0.0012702000000000, 0.0012453000000000 ] - [ 0.0010107000000000, 0.0012020900000000, 0.0012584900000000 ] - [ 0.0000727500000000, 0.0015545700000000, 0.0011029000000000 ] - [ -0.0011173300000000, -0.0012114500000000, -0.0003650000000000 ] - [ -0.0011869600000000, 0.0022582500000000, -0.0012904200000000 ] - [ 0.0015624900000000, -0.0025814000000000, 0.0004065900000000 ] - [ -0.0000403100000000, 0.0002456600000000, 0.0001901600000000 ] - [ -0.0001128000000000, -0.0000443800000000, -0.0000109200000000 ] - [ -0.0000786600000000, -0.0000019500000000, -0.0000228400000000 ] - [ -0.0001266800000000, 0.0000003300000000, -0.0000393800000000 ] - [ -0.0000952900000000, 0.0000436000000000, -0.0000035300000000 ] - [ -0.0274810800000000, -0.0392351600000000, 0.0207254500000000 ] - [ 0.0001256200000000, 0.0001868200000000, -0.0000089100000000 ] - [ -0.0046042100000000, -0.0034335700000000, 0.0058964100000000 ] - [ -0.0006207000000000, 0.0016344400000000, 0.0009509600000000 ] - [ -0.0008067900000000, 0.0005269500000000, -0.0012625400000000 ] - [ 0.0003834400000000, -0.0002677900000000, -0.0008726500000000 ] - [ 0.0000926700000000, -0.0004366600000000, -0.0010061000000000 ] - [ 0.0005355300000000, 0.0000648900000000, -0.0008340200000000 ] - [ -0.0002078200000000, 0.0000194300000000, 0.0009482100000000 ] - [ 0.0114649800000000, 0.0041514400000000, -0.0021869900000000 ] - [ -0.0016986400000000, -0.0000516400000000, 0.0004740000000000 ] - [ -0.0017886900000000, 0.0005810500000000, 0.0004421100000000 ] - [ -0.0051304200000000, 0.0027137000000000, -0.0063035900000000 ] - [ 0.0016781800000000, 0.0008784500000000, -0.0006427900000000 ] - [ 0.0029063300000000, 0.0003458400000000, 0.0004522100000000 ] - [ -0.0014054600000000, 0.0015953800000000, 0.0001481800000000 ] - [ -0.0017971700000000, -0.0005308900000000, 0.0004451500000000 ] - [ -0.0013994700000000, 0.0000340900000000, 0.0005704700000000 ]- atom: 9 displacement: [ 0.0030072416887981, 0.0000000000000000, -0.0095371115871188 ] forces: - [ 0.0146112200000000, 0.0323260800000000, -0.0182570300000000 ] - [ 0.0002851100000000, 0.0001029700000000, -0.0006482600000000 ] - [ -0.0003094300000000, -0.0002227900000000, 0.0006804100000000 ] - [ -0.0001124300000000, -0.0002877000000000, 0.0007077500000000 ] - [ -0.0004463800000000, 0.0001678200000000, 0.0007513300000000 ] - [ -0.0001493500000000, 0.0003001600000000, 0.0007440700000000 ] - [ -0.0001530800000000, 0.0008079600000000, -0.0012737200000000 ] - [ 0.0058606200000000, -0.0124674300000000, -0.0088717500000000 ] - [ 0.0056200000000000, -0.1580124700000000, 0.2252422600000000 ] - [ 0.0001472700000000, -0.0000622500000000, 0.0010354000000000 ] - [ -0.0001868600000000, -0.0004008200000000, -0.0011244500000000 ] - [ -0.0000722700000000, -0.0004940300000000, -0.0010956900000000 ] - [ -0.0001608100000000, 0.0003767800000000, -0.0010619100000000 ] - [ -0.0000360600000000, 0.0004942600000000, -0.0010357800000000 ] - [ 0.0003165800000000, 0.0000906700000000, 0.0000586900000000 ] - [ 0.0014334900000000, -0.0004532100000000, -0.0025952000000000 ] - [ -0.0023275100000000, 0.0006060100000000, 0.0048855900000000 ] - [ -0.0017910200000000, 0.0005408200000000, 0.0046482000000000 ] - [ 0.0019204900000000, 0.0018053200000000, -0.0053921000000000 ] - [ 0.0019757600000000, -0.0012669600000000, -0.0060831200000000 ] - [ 0.0024330200000000, -0.0012037700000000, -0.0024024800000000 ] - [ 0.0015758700000000, 0.0000557400000000, -0.0042979900000000 ] - [ -0.0017503600000000, -0.0003356900000000, 0.0043747500000000 ] - [ -0.0015455200000000, -0.0004053600000000, 0.0044332400000000 ] - [ 0.0012738900000000, -0.0039401600000000, 0.0007218400000000 ] - [ 0.0009570500000000, -0.0032350900000000, 0.0006877900000000 ] - [ -0.0005408200000000, -0.0038785300000000, -0.0008221000000000 ] - [ -0.0007356000000000, -0.0020392000000000, -0.0006191500000000 ] - [ -0.0060741700000000, 0.0089911200000000, -0.0029716600000000 ] - [ -0.0009997600000000, 0.0035894800000000, -0.0005818100000000 ] - [ 0.0010020900000000, 0.0038811800000000, 0.0007053600000000 ] - [ 0.0003637000000000, 0.0027898400000000, 0.0006344500000000 ] - [ 0.0016562300000000, 0.0004001200000000, -0.0039658900000000 ] - [ 0.0019054000000000, 0.0003826800000000, -0.0038998300000000 ] - [ -0.0009273900000000, -0.0004465100000000, 0.0013213000000000 ] - [ -0.0017681900000000, 0.0008540800000000, 0.0037585800000000 ] - [ -0.0021366300000000, 0.0010502600000000, 0.0047503200000000 ] - [ -0.0017240800000000, -0.0014953100000000, 0.0066569300000000 ] - [ 0.0012934900000000, -0.0000409800000000, -0.0045657700000000 ] - [ 0.0017588100000000, -0.0002202800000000, -0.0041502000000000 ] - [ 0.0000015200000000, 0.0008752100000000, -0.0004363600000000 ] - [ 0.0016936300000000, 0.0007447300000000, 0.0000813400000000 ] - [ -0.0000786100000000, 0.0008230300000000, 0.0001365900000000 ] - [ -0.0000261300000000, 0.0009926000000000, 0.0004009600000000 ] - [ -0.0024038800000000, 0.0001229600000000, -0.0000050400000000 ] - [ -0.0001936200000000, -0.0008105700000000, 0.0005685200000000 ] - [ -0.0044841200000000, -0.0005840800000000, -0.0018091400000000 ] - [ -0.0000455500000000, -0.0006003800000000, -0.0004403200000000 ] - [ -0.0006672400000000, -0.0006019300000000, -0.0007657400000000 ] - [ -0.0005147000000000, -0.0004945700000000, -0.0007786800000000 ] - [ -0.0042541800000000, 0.0009664700000000, 0.0058734200000000 ] - [ 0.0003298500000000, -0.0000008600000000, 0.0011344400000000 ] - [ 0.0011539800000000, 0.0009916900000000, -0.0000300600000000 ] - [ 0.0034565900000000, 0.0018177700000000, -0.0013562100000000 ] - [ -0.0006664500000000, 0.0005191900000000, -0.0007536700000000 ] - [ -0.0005855400000000, 0.0005871100000000, -0.0007379200000000 ] - [ -0.0003929400000000, -0.0004666600000000, 0.0007372000000000 ] - [ -0.0003600000000000, -0.0004674100000000, 0.0007490200000000 ] - [ -0.0171395500000000, 0.0048417700000000, -0.0311843000000000 ] - [ 0.0002703800000000, -0.0000054700000000, -0.0005811100000000 ] - [ 0.0015564200000000, 0.0052934900000000, 0.0006484600000000 ] - [ 0.0014738200000000, 0.0002810500000000, -0.0004317500000000 ] - [ -0.0004235700000000, 0.0004302300000000, 0.0007252600000000 ] - [ -0.0003185100000000, 0.0005069200000000, 0.0008156700000000 ] - [ -0.0012979000000000, -0.0002008800000000, 0.0040944600000000 ] - [ -0.0018716700000000, 0.0012177100000000, 0.0044705900000000 ] - [ 0.0012304800000000, 0.0001600800000000, -0.0044408200000000 ] - [ 0.0015675500000000, 0.0004714900000000, -0.0045551100000000 ] - [ 0.0016089900000000, -0.0004961100000000, -0.0046252500000000 ] - [ 0.0013974900000000, -0.0002359200000000, -0.0045501100000000 ] - [ -0.0029159900000000, -0.0011601300000000, 0.0055234600000000 ] - [ -0.0015594900000000, -0.0000636400000000, 0.0045566500000000 ] - [ 0.0021846600000000, -0.0046161400000000, 0.0013399600000000 ] - [ 0.0010031500000000, -0.0026163300000000, 0.0007325800000000 ] - [ -0.0014319300000000, -0.0037461500000000, -0.0008233900000000 ] - [ -0.0011838300000000, -0.0035890500000000, -0.0007709300000000 ] - [ -0.0012384300000000, 0.0035893500000000, -0.0007801900000000 ] - [ -0.0015732800000000, 0.0038486500000000, -0.0008386900000000 ] - [ 0.0000998700000000, 0.0013888400000000, 0.0000824200000000 ] - [ 0.0012573400000000, 0.0044547600000000, 0.0007582900000000 ] - [ 0.0020724700000000, -0.0004440400000000, -0.0046096700000000 ] - [ 0.0019330700000000, 0.0007430500000000, -0.0039322100000000 ] - [ -0.0018867600000000, 0.0002646000000000, 0.0040232100000000 ] - [ -0.0020512900000000, 0.0005465200000000, 0.0038810400000000 ] - [ -0.0021582300000000, -0.0006419000000000, 0.0037229400000000 ] - [ -0.0018919400000000, -0.0002854700000000, 0.0039587300000000 ] - [ 0.0017695000000000, -0.0009644600000000, -0.0035514900000000 ] - [ 0.0014422300000000, 0.0006463200000000, -0.0043354100000000 ] - [ -0.0002568600000000, 0.0003229500000000, -0.0004158700000000 ] - [ -0.0000013400000000, 0.0009477700000000, -0.0004420600000000 ] - [ 0.0001040500000000, 0.0007616600000000, 0.0004822400000000 ] - [ -0.0011287200000000, 0.0008969700000000, 0.0001275000000000 ] - [ -0.0022010300000000, -0.0009618800000000, -0.0002289300000000 ] - [ -0.0001911700000000, -0.0007603700000000, 0.0003939700000000 ] - [ -0.0004709800000000, -0.0011852200000000, -0.0005321500000000 ] - [ -0.0005057500000000, -0.0004865000000000, -0.0006301600000000 ] - [ 0.0007009500000000, -0.0005174400000000, 0.0001898300000000 ] - [ 0.0004773200000000, -0.0004977600000000, 0.0002076000000000 ] - [ 0.0007594200000000, 0.0006380100000000, 0.0001571300000000 ] - [ 0.0004922600000000, 0.0004291100000000, 0.0001074900000000 ] - [ 0.0013919300000000, -0.0013611200000000, -0.0011058900000000 ] - [ -0.0006933100000000, -0.0017796500000000, -0.0012325000000000 ] - [ 0.0036190500000000, -0.0070411800000000, 0.0015568900000000 ] - [ 0.0013118600000000, -0.0008983400000000, 0.0003859800000000 ] - [ -0.0002993100000000, 0.0013588000000000, 0.0024522400000000 ] - [ 0.0005524600000000, 0.0001396100000000, 0.0012511000000000 ] - [ -0.0006372800000000, 0.0010033600000000, -0.0011708100000000 ] - [ -0.0016422100000000, 0.0014802500000000, -0.0012764900000000 ] - [ -0.0206656500000000, 0.0851490800000000, -0.1521518900000000 ] - [ -0.0003743800000000, -0.0015315700000000, -0.0003147800000000 ] - [ -0.0001040400000000, -0.0010119700000000, 0.0040311500000000 ] - [ -0.0095171700000000, 0.0051162600000000, 0.0032336900000000 ] - [ -0.0001668900000000, 0.0010505700000000, -0.0010828000000000 ] - [ -0.0004945700000000, -0.0028570400000000, -0.0009004800000000 ] - [ 0.0024081800000000, -0.0011081400000000, 0.0015456700000000 ] - [ 0.0011347600000000, -0.0014837300000000, 0.0013408600000000 ] - [ 0.0009625300000000, 0.0015498600000000, 0.0013279200000000 ] - [ 0.0018985800000000, 0.0012018300000000, 0.0014818500000000 ] - [ -0.0008394900000000, 0.0039563300000000, -0.0022191700000000 ] - [ -0.0007737500000000, 0.0004952200000000, -0.0012932900000000 ] - [ -0.0015423800000000, 0.0025468500000000, -0.0004127400000000 ] - [ 0.0000369900000000, -0.0002417000000000, -0.0001901600000000 ] - [ 0.0001128000000000, 0.0000445400000000, 0.0000114100000000 ] - [ 0.0000792500000000, 0.0000010100000000, 0.0000219000000000 ] - [ 0.0001255400000000, 0.0000005300000000, 0.0000388100000000 ] - [ 0.0000956600000000, -0.0000437900000000, 0.0000040400000000 ] - [ 0.0276339800000000, 0.0399195500000000, -0.0204519100000000 ] - [ -0.0001263200000000, -0.0001847500000000, 0.0000085000000000 ] - [ 0.0028358800000000, 0.0038329400000000, -0.0044344900000000 ] - [ -0.0010764300000000, -0.0012199400000000, 0.0005268400000000 ] - [ 0.0024990800000000, -0.0001153500000000, -0.0002219600000000 ] - [ 0.0013001200000000, 0.0006815400000000, -0.0006104100000000 ] - [ 0.0015928300000000, 0.0000243300000000, -0.0004771800000000 ] - [ 0.0011518000000000, -0.0004759500000000, -0.0006505200000000 ] - [ -0.0014904200000000, -0.0004312500000000, 0.0005303000000000 ] - [ -0.0130996100000000, -0.0045486500000000, 0.0036600600000000 ] - [ 0.0000157200000000, 0.0004622400000000, 0.0010116900000000 ] - [ 0.0001058400000000, -0.0001664500000000, 0.0010426000000000 ] - [ 0.0067810300000000, -0.0022663600000000, 0.0048101300000000 ] - [ 0.0000097900000000, -0.0004620700000000, -0.0008392100000000 ] - [ -0.0012101100000000, -0.0007495400000000, -0.0019330700000000 ] - [ 0.0031559700000000, -0.0020356100000000, -0.0016488200000000 ] - [ 0.0001181000000000, 0.0001196600000000, 0.0010395400000000 ] - [ -0.0002845300000000, -0.0004457100000000, 0.0009147600000000 ]- atom: 17 displacement: [ 0.0099999367125711, 0.0000000000000000, -0.0000355773041697 ] forces: - [ 0.0008896500000000, -0.0002715700000000, -0.0004355000000000 ] - [ 0.0001952500000000, -0.0002184700000000, -0.0006845900000000 ] - [ 0.0037758800000000, -0.0027507000000000, -0.0005651400000000 ] - [ -0.0005111400000000, -0.0000408700000000, 0.0006215300000000 ] - [ 0.0126256100000000, -0.0052254400000000, 0.0071224100000000 ] - [ -0.0006950000000000, -0.0000280600000000, 0.0008019800000000 ] - [ 0.0002235200000000, 0.0004187000000000, -0.0007078000000000 ] - [ 0.0023323100000000, -0.0009254200000000, -0.0010820700000000 ] - [ 0.0013123000000000, -0.0002122000000000, 0.0020788900000000 ] - [ 0.0000852800000000, -0.0005843900000000, 0.0011345100000000 ] - [ 0.0000729200000000, -0.0014382800000000, -0.0012687900000000 ] - [ -0.0005820900000000, -0.0001150800000000, -0.0014179300000000 ] - [ 0.0043848100000000, 0.0014426400000000, -0.0003760900000000 ] - [ -0.0001939600000000, 0.0000811900000000, -0.0009452400000000 ] - [ 0.0001094900000000, 0.0006770900000000, 0.0010885000000000 ] - [ 0.0005204900000000, 0.0000044000000000, 0.0010067200000000 ] - [ -0.1243170100000000, 0.0755446600000000, 0.1093366900000000 ] - [ -0.0022360200000000, 0.0000367000000000, 0.0045791000000000 ] - [ 0.0024799200000000, 0.0016470800000000, -0.0055685300000000 ] - [ 0.0024820200000000, -0.0019416900000000, -0.0049310500000000 ] - [ 0.0010741700000000, 0.0002597900000000, -0.0017292700000000 ] - [ 0.0012611600000000, -0.0004703400000000, -0.0045134400000000 ] - [ -0.0028960500000000, -0.0027092800000000, 0.0027350100000000 ] - [ -0.0024390800000000, 0.0000980300000000, 0.0037703800000000 ] - [ -0.0011110700000000, 0.0031261800000000, -0.0017218400000000 ] - [ 0.0008071600000000, -0.0052401300000000, 0.0002997400000000 ] - [ -0.0016731000000000, -0.0021432400000000, -0.0006132300000000 ] - [ -0.0015775000000000, -0.0047254700000000, -0.0008679700000000 ] - [ -0.0005706800000000, 0.0066135100000000, -0.0007170500000000 ] - [ -0.0010596600000000, 0.0021197800000000, -0.0006074700000000 ] - [ 0.0001183800000000, 0.0019351500000000, 0.0004051400000000 ] - [ -0.0082890600000000, 0.0054070300000000, 0.0011970900000000 ] - [ 0.0000747200000000, -0.0053082800000000, -0.0060234500000000 ] - [ 0.0008183300000000, 0.0007713000000000, -0.0038251800000000 ] - [ -0.0012105200000000, 0.0011575600000000, 0.0021833100000000 ] - [ -0.0021042900000000, 0.0003540200000000, 0.0038044900000000 ] - [ -0.0017003200000000, 0.0007907500000000, 0.0048666400000000 ] - [ -0.0019883200000000, -0.0021326500000000, 0.0045979400000000 ] - [ -0.0073269000000000, 0.0021842200000000, -0.0262541400000000 ] - [ 0.0014146900000000, -0.0006916500000000, -0.0043950500000000 ] - [ -0.0029819600000000, 0.0003130900000000, -0.0013552000000000 ] - [ -0.0031611700000000, 0.0005962800000000, -0.0010909900000000 ] - [ -0.0085824100000000, 0.0023099400000000, 0.0000320300000000 ] - [ -0.0017342500000000, 0.0006679900000000, -0.0000573300000000 ] - [ 0.0003236000000000, 0.0046878400000000, -0.0015564300000000 ] - [ -0.0022625800000000, -0.0018632100000000, -0.0001561800000000 ] - [ 0.0333152200000000, -0.0221947900000000, -0.0177474600000000 ] - [ -0.0015051300000000, -0.0007496700000000, -0.0008451400000000 ] - [ 0.0011351800000000, -0.0003714500000000, -0.0004925700000000 ] - [ -0.0000461600000000, -0.0001909700000000, -0.0008742200000000 ] - [ 0.0014808200000000, -0.0009191800000000, 0.0008627000000000 ] - [ 0.0008753300000000, -0.0006546900000000, 0.0007808400000000 ] - [ 0.0009580200000000, 0.0007419300000000, 0.0007470000000000 ] - [ 0.0015414500000000, 0.0007255100000000, 0.0007457500000000 ] - [ 0.0035482200000000, -0.0005625200000000, -0.0010366800000000 ] - [ -0.0001749500000000, 0.0003688700000000, -0.0007047000000000 ] - [ 0.0004341800000000, -0.0011579400000000, 0.0013296000000000 ] - [ 0.0000552200000000, 0.0002459800000000, 0.0006050600000000 ] - [ 0.0008508000000000, -0.0003969600000000, -0.0002401500000000 ] - [ 0.0005292400000000, -0.0005720200000000, -0.0007014600000000 ] - [ 0.0006310100000000, 0.0007069600000000, -0.0007123800000000 ] - [ 0.0008395200000000, 0.0002220100000000, -0.0004302300000000 ] - [ 0.0013036100000000, 0.0015582900000000, 0.0026897400000000 ] - [ -0.0000749700000000, 0.0001311700000000, 0.0008307700000000 ] - [ -0.0011917400000000, 0.0002759900000000, 0.0045381900000000 ] - [ -0.0011916900000000, 0.0002676000000000, 0.0045359100000000 ] - [ 0.0023767500000000, 0.0007511000000000, -0.0046126700000000 ] - [ 0.0019140900000000, 0.0003699100000000, -0.0045132600000000 ] - [ 0.0022327000000000, -0.0007666000000000, -0.0046560900000000 ] - [ 0.0019592600000000, -0.0003229000000000, -0.0045356000000000 ] - [ -0.0010970900000000, -0.0001864600000000, 0.0045246700000000 ] - [ -0.0012993900000000, -0.0003673600000000, 0.0045653200000000 ] - [ 0.0017123000000000, -0.0037473500000000, 0.0008908500000000 ] - [ 0.0015804700000000, -0.0038987700000000, 0.0008789700000000 ] - [ -0.0005381700000000, -0.0028375400000000, -0.0005456800000000 ] - [ -0.0008275100000000, -0.0038314700000000, -0.0006729400000000 ] - [ -0.0006682200000000, 0.0028569400000000, -0.0005999000000000 ] - [ -0.0006148300000000, 0.0038294600000000, -0.0006437400000000 ] - [ 0.0017200500000000, 0.0039670600000000, 0.0009062000000000 ] - [ 0.0015500200000000, 0.0036835100000000, 0.0008520300000000 ] - [ 0.0022821200000000, 0.0006101200000000, -0.0036977600000000 ] - [ 0.0021310200000000, 0.0004194000000000, -0.0038232500000000 ] - [ -0.0013604100000000, -0.0001038300000000, 0.0044786600000000 ] - [ -0.0015583800000000, 0.0004253100000000, 0.0041615800000000 ] - [ -0.0013101100000000, -0.0000037800000000, 0.0043546300000000 ] - [ -0.0015832700000000, -0.0003625100000000, 0.0041187100000000 ] - [ 0.0022144300000000, -0.0005119100000000, -0.0037599000000000 ] - [ 0.0021945900000000, -0.0005280600000000, -0.0037479500000000 ] - [ 0.0017716900000000, 0.0009141400000000, 0.0000593400000000 ] - [ 0.0011389800000000, 0.0008136400000000, -0.0001292200000000 ] - [ 0.0011119500000000, 0.0005926400000000, 0.0007629700000000 ] - [ 0.0010843400000000, 0.0008146200000000, 0.0007408000000000 ] - [ 0.0013573200000000, -0.0006006700000000, 0.0008036000000000 ] - [ 0.0008836900000000, -0.0008133900000000, 0.0006847800000000 ] - [ 0.0016980400000000, -0.0008816800000000, 0.0000376200000000 ] - [ 0.0012503200000000, -0.0008501600000000, -0.0000975700000000 ] - [ -0.0017537400000000, 0.0013639900000000, -0.0000651500000000 ] - [ 0.0004909200000000, -0.0013861900000000, 0.0006220300000000 ] - [ -0.0086560900000000, -0.0025679100000000, -0.0015394500000000 ] - [ 0.0005344800000000, 0.0010854200000000, 0.0000118700000000 ] - [ 0.0801506800000000, -0.0478967200000000, -0.0562353900000000 ] - [ 0.0012994600000000, -0.0003813600000000, -0.0007744900000000 ] - [ -0.0007852800000000, -0.0051114900000000, 0.0011274200000000 ] - [ 0.0021168000000000, 0.0023220100000000, 0.0009136400000000 ] - [ 0.0045570800000000, -0.0026623900000000, 0.0005344000000000 ] - [ 0.0025946300000000, 0.0020476900000000, 0.0016445300000000 ] - [ 0.0026498000000000, 0.0044877600000000, 0.0011793200000000 ] - [ 0.0047327300000000, -0.0020136500000000, 0.0000949100000000 ] - [ -0.0019393100000000, -0.0002789100000000, -0.0010112900000000 ] - [ -0.0007814800000000, -0.0003667700000000, -0.0002310100000000 ] - [ -0.0008909300000000, 0.0001228400000000, -0.0001991100000000 ] - [ -0.0022473000000000, 0.0013571600000000, -0.0002107900000000 ] - [ -0.0025493400000000, -0.0013712300000000, -0.0016318200000000 ] - [ -0.0021926600000000, -0.0012175200000000, -0.0015736000000000 ] - [ -0.0006734000000000, -0.0020106000000000, 0.0009898600000000 ] - [ -0.0001642500000000, -0.0009695100000000, 0.0010352900000000 ] - [ -0.0003111800000000, 0.0021308700000000, 0.0009216500000000 ] - [ -0.0003622900000000, 0.0008695900000000, 0.0010009900000000 ] - [ -0.0026269500000000, 0.0011403900000000, -0.0016601800000000 ] - [ -0.0021011400000000, 0.0014872300000000, -0.0015581700000000 ] - [ -0.0001824300000000, -0.0000754800000000, -0.0000911500000000 ] - [ -0.0001987100000000, 0.0001698900000000, 0.0000206300000000 ] - [ -0.0005017600000000, -0.0010412000000000, 0.0003616500000000 ] - [ 0.0000887200000000, 0.0003115900000000, -0.0001144700000000 ] - [ 0.0003784500000000, -0.0005234900000000, -0.0002387100000000 ] - [ -0.0001170800000000, 0.0003502900000000, 0.0000952900000000 ] - [ -0.0003950500000000, -0.0002324300000000, 0.0000183700000000 ] - [ -0.0001373500000000, 0.0000808000000000, -0.0000806200000000 ] - [ -0.0171580900000000, 0.0006602300000000, -0.0053014500000000 ] - [ -0.0003132100000000, 0.0001379100000000, 0.0009043900000000 ] - [ 0.0160926500000000, -0.0017087300000000, -0.0007106500000000 ] - [ 0.0042623500000000, 0.0024993100000000, 0.0004278900000000 ] - [ 0.0185712300000000, -0.0038724000000000, -0.0046397500000000 ] - [ 0.0028526500000000, 0.0008464200000000, -0.0001104500000000 ] - [ 0.0002502600000000, -0.0013876200000000, 0.0011986300000000 ] - [ -0.0011230100000000, 0.0021363700000000, 0.0010352600000000 ] - [ -0.0039243300000000, 0.0013352200000000, 0.0002436000000000 ] - [ -0.0020411400000000, -0.0003076100000000, 0.0003075300000000 ] - [ -0.0015510900000000, -0.0000904700000000, -0.0014966600000000 ] - [ -0.0007995400000000, 0.0002509500000000, -0.0012386200000000 ] - [ -0.0010183600000000, -0.0001795400000000, -0.0013581700000000 ] - [ -0.0013347800000000, -0.0000194700000000, -0.0014007100000000 ] - [ -0.0037620300000000, -0.0005905900000000, -0.0005163600000000 ] - [ -0.0018270600000000, -0.0000466900000000, 0.0004381500000000 ]- atom: 17 displacement: [ -0.0099999367125711, 0.0000000000000000, 0.0000355773041697 ] forces: - [ -0.0012485100000000, -0.0005191800000000, -0.0010460300000000 ] - [ -0.0005506400000000, -0.0005668400000000, -0.0007982000000000 ] - [ -0.0034334000000000, 0.0019704300000000, 0.0020586500000000 ] - [ 0.0008804300000000, -0.0007513600000000, 0.0008574700000000 ] - [ -0.0124449700000000, 0.0061444800000000, -0.0057663000000000 ] - [ 0.0010686100000000, 0.0008212200000000, 0.0006787500000000 ] - [ -0.0005793500000000, 0.0003712100000000, -0.0007724900000000 ] - [ -0.0026827800000000, 0.0017057300000000, -0.0004008900000000 ] - [ -0.0015704500000000, -0.0006841100000000, -0.0002440200000000 ] - [ -0.0003593300000000, -0.0003399600000000, 0.0007069600000000 ] - [ 0.0001980900000000, 0.0005544700000000, -0.0005399000000000 ] - [ 0.0008664500000000, -0.0007917700000000, -0.0004014900000000 ] - [ -0.0042124500000000, -0.0005328800000000, -0.0014813200000000 ] - [ 0.0004766600000000, 0.0008440700000000, -0.0008967900000000 ] - [ -0.0003677100000000, 0.0002247100000000, 0.0007407100000000 ] - [ -0.0007840600000000, 0.0008931500000000, 0.0008249500000000 ] - [ 0.1212074200000000, -0.0734761400000000, -0.0989372200000000 ] - [ -0.0010682000000000, 0.0007800100000000, 0.0045324900000000 ] - [ 0.0008224000000000, -0.0008291300000000, -0.0035502400000000 ] - [ 0.0008193500000000, 0.0027364300000000, -0.0041883200000000 ] - [ 0.0022308000000000, -0.0010754500000000, -0.0073843400000000 ] - [ 0.0020428300000000, -0.0003383700000000, -0.0046092400000000 ] - [ -0.0004198500000000, 0.0019169100000000, 0.0064189200000000 ] - [ -0.0008708200000000, -0.0009142100000000, 0.0053619200000000 ] - [ 0.0033930100000000, -0.0103527700000000, 0.0032275600000000 ] - [ 0.0014578500000000, -0.0019029900000000, 0.0011950500000000 ] - [ -0.0005955900000000, -0.0050217300000000, -0.0008775900000000 ] - [ -0.0006992200000000, -0.0024490700000000, -0.0006240000000000 ] - [ -0.0017061200000000, 0.0005666100000000, -0.0007749500000000 ] - [ -0.0012131800000000, 0.0050445600000000, -0.0008838700000000 ] - [ 0.0021464000000000, 0.0052150700000000, 0.0010828000000000 ] - [ 0.0105170700000000, 0.0019724400000000, 0.0004158600000000 ] - [ 0.0036170800000000, 0.0060559700000000, -0.0020030800000000 ] - [ 0.0028520900000000, -0.0000647100000000, -0.0042131400000000 ] - [ -0.0024559600000000, -0.0004507900000000, 0.0058389500000000 ] - [ -0.0015656400000000, 0.0003577600000000, 0.0042242600000000 ] - [ -0.0019679100000000, -0.0014911100000000, 0.0031618200000000 ] - [ -0.0016858600000000, 0.0014091600000000, 0.0034251500000000 ] - [ 0.0108416300000000, -0.0029142900000000, 0.0184847000000000 ] - [ 0.0022499700000000, -0.0000060700000000, -0.0036260700000000 ] - [ 0.0033300400000000, 0.0012660200000000, 0.0005739600000000 ] - [ 0.0034911600000000, 0.0009726400000000, 0.0003012400000000 ] - [ 0.0082433000000000, -0.0007344300000000, 0.0007367500000000 ] - [ 0.0013824300000000, 0.0009120500000000, 0.0008396500000000 ] - [ -0.0006846000000000, -0.0062251400000000, 0.0023257100000000 ] - [ 0.0018980300000000, 0.0002842600000000, 0.0009348300000000 ] - [ -0.0324062100000000, 0.0201769000000000, 0.0166320100000000 ] - [ 0.0018424200000000, -0.0008237100000000, 0.0000601400000000 ] - [ -0.0014963000000000, -0.0004102000000000, -0.0009912800000000 ] - [ -0.0003099600000000, -0.0005966000000000, -0.0006075800000000 ] - [ -0.0011241600000000, 0.0001302600000000, 0.0006186900000000 ] - [ -0.0005217600000000, -0.0001301900000000, 0.0007010900000000 ] - [ -0.0006052400000000, 0.0000431200000000, 0.0007367900000000 ] - [ -0.0011825200000000, 0.0000595300000000, 0.0007363600000000 ] - [ -0.0039303400000000, 0.0013617500000000, -0.0004380500000000 ] - [ -0.0001811900000000, 0.0004251800000000, -0.0007754800000000 ] - [ -0.0007134600000000, 0.0002429700000000, 0.0005122000000000 ] - [ -0.0003055100000000, -0.0011640400000000, 0.0012471500000000 ] - [ -0.0005901100000000, -0.0004997000000000, -0.0015845600000000 ] - [ -0.0002662000000000, -0.0003312000000000, -0.0011343200000000 ] - [ -0.0003671500000000, 0.0001945100000000, -0.0011185600000000 ] - [ -0.0005685500000000, 0.0006988700000000, -0.0014136600000000 ] - [ -0.0015762300000000, -0.0006575700000000, -0.0008674200000000 ] - [ -0.0001754200000000, 0.0007616300000000, 0.0009988600000000 ] - [ -0.0021140000000000, 0.0005345800000000, 0.0045824300000000 ] - [ -0.0021141000000000, 0.0005450100000000, 0.0045859800000000 ] - [ 0.0009242400000000, 0.0000608400000000, -0.0045042400000000 ] - [ 0.0013901200000000, 0.0004432300000000, -0.0046064000000000 ] - [ 0.0010692400000000, -0.0000426200000000, -0.0044637200000000 ] - [ 0.0013478400000000, -0.0004919800000000, -0.0045865700000000 ] - [ -0.0022068400000000, -0.0006234400000000, 0.0045951500000000 ] - [ -0.0020066700000000, -0.0004481300000000, 0.0045540600000000 ] - [ 0.0005599000000000, -0.0034128500000000, 0.0006004800000000 ] - [ 0.0006875000000000, -0.0032755200000000, 0.0006122800000000 ] - [ -0.0017311900000000, -0.0043314900000000, -0.0009447800000000 ] - [ -0.0014416900000000, -0.0033354500000000, -0.0008181800000000 ] - [ -0.0016017700000000, 0.0043064400000000, -0.0008916900000000 ] - [ -0.0016498900000000, 0.0033306200000000, -0.0008466500000000 ] - [ 0.0005520800000000, 0.0032110500000000, 0.0005857800000000 ] - [ 0.0007225000000000, 0.0034817200000000, 0.0006382400000000 ] - [ 0.0013856400000000, 0.0000992400000000, -0.0043300300000000 ] - [ 0.0015353700000000, 0.0002846100000000, -0.0042042300000000 ] - [ -0.0023099900000000, 0.0008131700000000, 0.0035476500000000 ] - [ -0.0021072500000000, 0.0002779300000000, 0.0038715600000000 ] - [ -0.0023595200000000, -0.0007047600000000, 0.0036682000000000 ] - [ -0.0020852400000000, -0.0003433200000000, 0.0039088800000000 ] - [ 0.0014524300000000, -0.0001957300000000, -0.0042698500000000 ] - [ 0.0014725900000000, -0.0001792300000000, -0.0042815600000000 ] - [ -0.0014317800000000, 0.0006651600000000, -0.0008448900000000 ] - [ -0.0007993100000000, 0.0007617500000000, -0.0006557100000000 ] - [ -0.0014627400000000, 0.0009853600000000, 0.0000190600000000 ] - [ -0.0014269200000000, 0.0007616400000000, 0.0000437100000000 ] - [ -0.0017000900000000, -0.0009749100000000, -0.0000188400000000 ] - [ -0.0012304400000000, -0.0007647200000000, 0.0000988000000000 ] - [ -0.0013587900000000, -0.0006959500000000, -0.0008232300000000 ] - [ -0.0009014400000000, -0.0007286900000000, -0.0006851700000000 ] - [ 0.0017552200000000, -0.0024235900000000, 0.0000499700000000 ] - [ -0.0004989900000000, 0.0003461300000000, -0.0006353800000000 ] - [ 0.0086812100000000, 0.0036095900000000, 0.0015642500000000 ] - [ -0.0005417600000000, -0.0000554300000000, -0.0000059000000000 ] - [ -0.0822248700000000, 0.0438528800000000, 0.0519747400000000 ] - [ -0.0032645300000000, -0.0023767300000000, -0.0018137100000000 ] - [ 0.0027812400000000, 0.0023465800000000, 0.0014643100000000 ] - [ -0.0001217000000000, -0.0050555700000000, 0.0016779800000000 ] - [ -0.0025642800000000, 0.0054073900000000, 0.0020547900000000 ] - [ -0.0006119400000000, 0.0007092700000000, 0.0009470300000000 ] - [ -0.0046237000000000, -0.0017443200000000, -0.0037816000000000 ] - [ -0.0067053300000000, 0.0047971700000000, -0.0026803000000000 ] - [ 0.0019390800000000, -0.0007682600000000, 0.0010047700000000 ] - [ 0.0007816900000000, -0.0006760500000000, 0.0002342200000000 ] - [ 0.0008916300000000, 0.0009213500000000, 0.0002007900000000 ] - [ 0.0022460800000000, -0.0003078200000000, 0.0002112800000000 ] - [ 0.0005768300000000, -0.0013885900000000, -0.0009566600000000 ] - [ 0.0002188100000000, -0.0015383200000000, -0.0010147900000000 ] - [ 0.0026485300000000, -0.0007383700000000, 0.0015994200000000 ] - [ 0.0021393600000000, -0.0017876200000000, 0.0015543400000000 ] - [ 0.0022905000000000, 0.0006183800000000, 0.0016694900000000 ] - [ 0.0023325800000000, 0.0018920900000000, 0.0015863300000000 ] - [ 0.0006568500000000, 0.0016111900000000, -0.0009281200000000 ] - [ 0.0001302500000000, 0.0012722100000000, -0.0010301200000000 ] - [ 0.0001824600000000, 0.0000726600000000, 0.0000909400000000 ] - [ 0.0001982100000000, -0.0001682200000000, -0.0000203800000000 ] - [ 0.0005043900000000, 0.0010546200000000, -0.0003648100000000 ] - [ -0.0000894600000000, -0.0003146100000000, 0.0001145000000000 ] - [ -0.0003879100000000, 0.0005282400000000, 0.0002377800000000 ] - [ 0.0001165700000000, -0.0003511200000000, -0.0000942500000000 ] - [ 0.0003934900000000, 0.0002296600000000, -0.0000184100000000 ] - [ 0.0001399700000000, -0.0000779300000000, 0.0000792200000000 ] - [ 0.0154474000000000, -0.0002539900000000, 0.0067713000000000 ] - [ -0.0013472300000000, 0.0002696500000000, 0.0005865700000000 ] - [ -0.0144619900000000, 0.0021959600000000, -0.0007573200000000 ] - [ -0.0026117100000000, -0.0021826000000000, -0.0019233300000000 ] - [ -0.0170893600000000, 0.0035813600000000, 0.0035711400000000 ] - [ -0.0011969000000000, -0.0012715600000000, -0.0013842100000000 ] - [ -0.0019192500000000, 0.0009704700000000, 0.0002884400000000 ] - [ -0.0005324600000000, -0.0025389800000000, 0.0004596100000000 ] - [ 0.0022758600000000, -0.0009313900000000, 0.0012500900000000 ] - [ 0.0003724200000000, 0.0007247300000000, 0.0011823000000000 ] - [ 0.0032224600000000, 0.0004975800000000, 0.0000092900000000 ] - [ 0.0024649000000000, 0.0001669000000000, -0.0002507900000000 ] - [ 0.0026863400000000, -0.0002347300000000, -0.0001320300000000 ] - [ 0.0030021700000000, -0.0003888000000000, -0.0000880500000000 ] - [ 0.0021095800000000, 0.0001817100000000, 0.0020140400000000 ] - [ 0.0001588800000000, -0.0003650500000000, 0.0010526600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011401800000000, -0.0008756400000000, -0.0008227700000000 ] - [ 0.0004481900000000, 0.0001044900000000, -0.0007772700000000 ] - [ -0.0011017600000000, -0.0004952800000000, 0.0004940600000000 ] - [ 0.0002995500000000, 0.0004456600000000, 0.0013470900000000 ] - [ -0.0134079100000000, -0.0020797000000000, -0.0020780200000000 ] - [ 0.0031096400000000, 0.0026535400000000, 0.0001266400000000 ] - [ 0.0001669000000000, 0.0004704500000000, -0.0006461100000000 ] - [ -0.0016355900000000, 0.0009772600000000, -0.0005955300000000 ] - [ -0.0009037400000000, -0.0009828000000000, 0.0004587100000000 ] - [ -0.0000224300000000, -0.0000522200000000, 0.0008077000000000 ] - [ -0.0033235700000000, 0.0002199400000000, -0.0037788000000000 ] - [ 0.0019683200000000, 0.0006120700000000, 0.0011235700000000 ] - [ 0.0000904200000000, -0.0026775900000000, -0.0000890300000000 ] - [ 0.0005097600000000, 0.0017841300000000, -0.0012900400000000 ] - [ 0.0002027500000000, 0.0002887300000000, 0.0010940800000000 ] - [ -0.0006656400000000, 0.0007513400000000, 0.0007510700000000 ] - [ 0.0711469900000000, -0.1653886900000000, -0.1228550900000000 ] - [ -0.0020211200000000, 0.0038897900000000, 0.0049247300000000 ] - [ 0.0040003000000000, 0.0012396900000000, -0.0050988800000000 ] - [ 0.0004123400000000, 0.0012405900000000, -0.0043851400000000 ] - [ 0.0023046800000000, -0.0021648600000000, -0.0062767300000000 ] - [ 0.0015881800000000, 0.0005917700000000, -0.0043325200000000 ] - [ 0.0006672000000000, -0.0005770700000000, 0.0024081500000000 ] - [ -0.0021447300000000, 0.0013213300000000, 0.0060911000000000 ] - [ 0.0031954200000000, -0.0063458700000000, -0.0016519600000000 ] - [ 0.0004821600000000, 0.0018234300000000, 0.0014238800000000 ] - [ -0.0006966200000000, -0.0053959800000000, -0.0006017000000000 ] - [ -0.0010150500000000, -0.0019871100000000, -0.0007232900000000 ] - [ 0.0009460300000000, -0.0008484700000000, -0.0004579900000000 ] - [ -0.0021687600000000, 0.0060486300000000, -0.0010158100000000 ] - [ 0.0028925100000000, 0.0126271100000000, 0.0017349500000000 ] - [ -0.0003266100000000, 0.0410151700000000, 0.0277994700000000 ] - [ -0.0005694100000000, 0.0097351500000000, 0.0043530600000000 ] - [ 0.0024627600000000, 0.0024246200000000, -0.0054154000000000 ] - [ -0.0021072000000000, -0.0012900400000000, 0.0055001300000000 ] - [ -0.0018285600000000, 0.0013663800000000, 0.0038422800000000 ] - [ -0.0002646300000000, 0.0004695100000000, 0.0050338800000000 ] - [ -0.0025462700000000, 0.0001694600000000, 0.0032884600000000 ] - [ 0.0021797700000000, -0.0147153400000000, -0.0021030200000000 ] - [ 0.0014583300000000, 0.0034209000000000, -0.0043071600000000 ] - [ 0.0032933100000000, 0.0022091100000000, 0.0009566000000000 ] - [ -0.0009892100000000, 0.0010164700000000, -0.0011014100000000 ] - [ 0.0039516000000000, -0.0021144200000000, 0.0033618000000000 ] - [ -0.0003303500000000, 0.0016969900000000, 0.0003872300000000 ] - [ 0.0115032000000000, 0.0032191700000000, 0.0009445300000000 ] - [ -0.0027973100000000, 0.0005356300000000, -0.0003442200000000 ] - [ -0.0218723000000000, -0.0003249700000000, 0.0085975600000000 ] - [ 0.0011570200000000, 0.0006326300000000, -0.0001829900000000 ] - [ -0.0018816200000000, -0.0014231100000000, -0.0010826200000000 ] - [ 0.0009539800000000, 0.0005260800000000, -0.0005321400000000 ] - [ -0.0003599500000000, -0.0003108200000000, 0.0006767200000000 ] - [ 0.0001421900000000, -0.0002451000000000, 0.0007440200000000 ] - [ 0.0002658700000000, 0.0004461200000000, 0.0007427600000000 ] - [ -0.0005482400000000, 0.0001720500000000, 0.0007448700000000 ] - [ -0.0025130700000000, -0.0001662800000000, -0.0002570100000000 ] - [ 0.0002324500000000, 0.0008832700000000, -0.0006863300000000 ] - [ -0.0009764700000000, -0.0002557100000000, -0.0001973800000000 ] - [ 0.0004019300000000, -0.0003901600000000, 0.0017227100000000 ] - [ -0.0001642700000000, -0.0007091800000000, -0.0012663200000000 ] - [ 0.0001024400000000, -0.0001771600000000, -0.0008606500000000 ] - [ 0.0001368600000000, 0.0003163700000000, -0.0008164200000000 ] - [ -0.0002328600000000, 0.0006089500000000, -0.0012100600000000 ] - [ -0.0007705000000000, -0.0017860900000000, -0.0000703400000000 ] - [ -0.0000358800000000, 0.0015396500000000, 0.0013109200000000 ] - [ -0.0017908300000000, 0.0004445500000000, 0.0045532200000000 ] - [ -0.0017823500000000, 0.0004469900000000, 0.0045835000000000 ] - [ 0.0013059900000000, -0.0000322300000000, -0.0045026400000000 ] - [ 0.0016870000000000, 0.0007145300000000, -0.0046270900000000 ] - [ 0.0012892600000000, -0.0002522800000000, -0.0044753500000000 ] - [ 0.0017367500000000, -0.0004456200000000, -0.0046006200000000 ] - [ -0.0018702900000000, -0.0005932000000000, 0.0045986000000000 ] - [ -0.0016930700000000, -0.0002929400000000, 0.0045273200000000 ] - [ 0.0009937700000000, -0.0036853700000000, 0.0007183900000000 ] - [ 0.0009811700000000, -0.0033360300000000, 0.0006932100000000 ] - [ -0.0010728200000000, -0.0041937400000000, -0.0007778700000000 ] - [ -0.0013433600000000, -0.0031030800000000, -0.0007723700000000 ] - [ -0.0014861400000000, 0.0042505400000000, -0.0008680400000000 ] - [ -0.0010039000000000, 0.0030719700000000, -0.0006831200000000 ] - [ 0.0009119100000000, 0.0032741300000000, 0.0006812500000000 ] - [ 0.0010657400000000, 0.0037468200000000, 0.0007329700000000 ] - [ 0.0016647100000000, 0.0001423900000000, -0.0041596700000000 ] - [ 0.0017837400000000, 0.0004692100000000, -0.0040193500000000 ] - [ -0.0020825900000000, 0.0004981000000000, 0.0037568100000000 ] - [ -0.0017903400000000, 0.0003537300000000, 0.0040771500000000 ] - [ -0.0020612400000000, -0.0008522400000000, 0.0038114700000000 ] - [ -0.0018312600000000, 0.0000073900000000, 0.0041090500000000 ] - [ 0.0017003500000000, -0.0002940500000000, -0.0040875400000000 ] - [ 0.0017470200000000, -0.0003106500000000, -0.0041023700000000 ] - [ -0.0004291500000000, 0.0006547600000000, -0.0005674800000000 ] - [ 0.0000403400000000, 0.0008770000000000, -0.0004215500000000 ] - [ -0.0006982800000000, 0.0009040600000000, 0.0002509100000000 ] - [ -0.0003475900000000, 0.0007433200000000, 0.0003322500000000 ] - [ -0.0006284500000000, -0.0009913000000000, 0.0002619400000000 ] - [ -0.0004504000000000, -0.0006438300000000, 0.0003248900000000 ] - [ -0.0005326200000000, -0.0007851700000000, -0.0005985800000000 ] - [ 0.0001023200000000, -0.0007461500000000, -0.0004024100000000 ] - [ 0.0023114500000000, 0.0006409800000000, 0.0022670800000000 ] - [ -0.0014751300000000, -0.0020936000000000, -0.0020495800000000 ] - [ 0.0065879300000000, 0.0084103600000000, -0.0017754700000000 ] - [ -0.0016317400000000, -0.0021819000000000, 0.0001839300000000 ] - [ -0.0486196300000000, 0.1243377700000000, 0.0833128600000000 ] - [ -0.0028217700000000, -0.0086568700000000, -0.0012622200000000 ] - [ -0.0090025100000000, -0.0000192000000000, -0.0003544900000000 ] - [ 0.0041964500000000, -0.0038200700000000, 0.0021247900000000 ] - [ -0.0025136400000000, 0.0065257500000000, 0.0007337000000000 ] - [ 0.0010452700000000, -0.0010130100000000, 0.0012868200000000 ] - [ -0.0038729500000000, -0.0059684100000000, -0.0062579600000000 ] - [ -0.0006755400000000, 0.0000832200000000, -0.0008758700000000 ] - [ 0.0010911600000000, -0.0000733500000000, 0.0003772900000000 ] - [ -0.0003105100000000, -0.0011758500000000, 0.0000892200000000 ] - [ -0.0003701000000000, 0.0006523100000000, -0.0001517500000000 ] - [ 0.0013162800000000, 0.0001262700000000, 0.0002037800000000 ] - [ -0.0003559700000000, -0.0012806900000000, -0.0011590700000000 ] - [ -0.0008085100000000, -0.0015302400000000, -0.0012472500000000 ] - [ 0.0013583600000000, -0.0004016600000000, 0.0013576800000000 ] - [ 0.0013959700000000, -0.0022150000000000, 0.0013595300000000 ] - [ 0.0016113100000000, 0.0008834100000000, 0.0014423900000000 ] - [ 0.0010617400000000, 0.0016741500000000, 0.0013127800000000 ] - [ -0.0004221500000000, 0.0017382200000000, -0.0011694500000000 ] - [ -0.0007610900000000, 0.0010542500000000, -0.0012335300000000 ] - [ -0.0000570000000000, 0.0001610900000000, 0.0000649100000000 ] - [ 0.0001426900000000, -0.0001801300000000, -0.0000477200000000 ] - [ -0.0002033100000000, 0.0004273800000000, -0.0002938600000000 ] - [ 0.0000604600000000, -0.0004732900000000, 0.0002382200000000 ] - [ -0.0014852400000000, 0.0005881600000000, -0.0002121200000000 ] - [ 0.0004924200000000, -0.0007547700000000, -0.0002746100000000 ] - [ 0.0000517500000000, 0.0002122600000000, -0.0001137600000000 ] - [ 0.0000653200000000, -0.0001438700000000, 0.0000944700000000 ] - [ 0.0093523900000000, 0.0034588800000000, 0.0048553900000000 ] - [ -0.0017757800000000, -0.0028522700000000, 0.0004242600000000 ] - [ -0.0002287000000000, -0.0008140400000000, 0.0042405700000000 ] - [ -0.0014831400000000, -0.0181434200000000, -0.0012351500000000 ] - [ -0.0023330300000000, 0.0154480000000000, -0.0012055100000000 ] - [ 0.0006261100000000, -0.0067564500000000, -0.0010273100000000 ] - [ -0.0038120800000000, -0.0006816100000000, -0.0001895200000000 ] - [ 0.0019180300000000, -0.0008657800000000, 0.0014706800000000 ] - [ 0.0011525000000000, -0.0000068500000000, 0.0013399400000000 ] - [ -0.0013805800000000, 0.0000664900000000, 0.0004176000000000 ] - [ 0.0017072100000000, 0.0006327100000000, -0.0005047900000000 ] - [ 0.0011163000000000, -0.0001393600000000, -0.0006256300000000 ] - [ 0.0012704500000000, -0.0002511900000000, -0.0006207000000000 ] - [ 0.0015402900000000, -0.0002299800000000, -0.0005080500000000 ] - [ 0.0006158400000000, 0.0011837400000000, 0.0010846300000000 ] - [ -0.0011141600000000, -0.0013381800000000, 0.0008833500000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007709200000000, 0.0000813600000000, -0.0006582900000000 ] - [ -0.0007996500000000, -0.0008899400000000, -0.0007032000000000 ] - [ 0.0015163600000000, -0.0003393500000000, 0.0009735100000000 ] - [ 0.0000586100000000, -0.0012324200000000, 0.0001282200000000 ] - [ 0.0136945500000000, 0.0027949400000000, 0.0035591100000000 ] - [ -0.0027643500000000, -0.0018697900000000, 0.0013586000000000 ] - [ -0.0005184800000000, 0.0003196800000000, -0.0008328900000000 ] - [ 0.0012685600000000, -0.0001848700000000, -0.0008850400000000 ] - [ 0.0006469200000000, 0.0000936700000000, 0.0013699500000000 ] - [ -0.0002380100000000, -0.0008530100000000, 0.0010291800000000 ] - [ 0.0035477700000000, -0.0011409000000000, 0.0019019800000000 ] - [ -0.0017270200000000, -0.0015109900000000, -0.0029721700000000 ] - [ 0.0001895900000000, 0.0035809200000000, -0.0017375700000000 ] - [ -0.0002443200000000, -0.0008609900000000, -0.0005573400000000 ] - [ -0.0004520100000000, 0.0006050800000000, 0.0007361000000000 ] - [ 0.0003967900000000, 0.0001624000000000, 0.0010869600000000 ] - [ -0.0769702000000000, 0.1682425400000000, 0.1376036100000000 ] - [ -0.0012829600000000, -0.0030684500000000, 0.0042044200000000 ] - [ -0.0006730100000000, -0.0004183200000000, -0.0040295200000000 ] - [ 0.0028894900000000, -0.0004182700000000, -0.0047359000000000 ] - [ 0.0009832500000000, 0.0013565600000000, -0.0028479100000000 ] - [ 0.0017195800000000, -0.0013980800000000, -0.0047864600000000 ] - [ -0.0039460500000000, -0.0002845700000000, 0.0066638400000000 ] - [ -0.0011453100000000, -0.0021197000000000, 0.0030117200000000 ] - [ -0.0009478400000000, -0.0007807800000000, 0.0031646400000000 ] - [ 0.0017809100000000, -0.0089614300000000, 0.0000742400000000 ] - [ -0.0015826300000000, -0.0017936200000000, -0.0008922300000000 ] - [ -0.0012488700000000, -0.0051663200000000, -0.0007661500000000 ] - [ -0.0031996000000000, 0.0079761100000000, -0.0010312100000000 ] - [ -0.0000911800000000, 0.0011233700000000, -0.0004749600000000 ] - [ -0.0006158200000000, -0.0053895700000000, -0.0002273100000000 ] - [ 0.0025419400000000, -0.0345397400000000, -0.0268847500000000 ] - [ 0.0041707600000000, -0.0089080600000000, -0.0122586400000000 ] - [ 0.0012013700000000, -0.0017024500000000, -0.0025957800000000 ] - [ -0.0015677800000000, 0.0019962500000000, 0.0025265500000000 ] - [ -0.0018336600000000, -0.0006558600000000, 0.0041902400000000 ] - [ -0.0033878400000000, -0.0011659100000000, 0.0030101500000000 ] - [ -0.0011173600000000, -0.0008699600000000, 0.0047421700000000 ] - [ 0.0014186200000000, 0.0139991800000000, -0.0055730900000000 ] - [ 0.0022106800000000, -0.0041174200000000, -0.0037319600000000 ] - [ -0.0029330000000000, -0.0006291500000000, -0.0017338000000000 ] - [ 0.0013290900000000, 0.0005720300000000, 0.0003178200000000 ] - [ -0.0043517000000000, 0.0036660800000000, -0.0026248800000000 ] - [ -0.0000070900000000, -0.0001150300000000, 0.0003989300000000 ] - [ -0.0117092000000000, -0.0047463300000000, -0.0001584000000000 ] - [ 0.0024835300000000, -0.0021087200000000, 0.0011359800000000 ] - [ 0.0222992300000000, -0.0011250200000000, -0.0094499900000000 ] - [ -0.0007921800000000, -0.0022024500000000, -0.0005958800000000 ] - [ 0.0015259400000000, 0.0006274300000000, -0.0004038700000000 ] - [ -0.0013169600000000, -0.0013144800000000, -0.0009523500000000 ] - [ 0.0007156600000000, -0.0004799100000000, 0.0008023300000000 ] - [ 0.0002143100000000, -0.0005420600000000, 0.0007373800000000 ] - [ 0.0000921300000000, 0.0003424100000000, 0.0007387700000000 ] - [ 0.0009035800000000, 0.0006161200000000, 0.0007354700000000 ] - [ 0.0021541100000000, 0.0009494200000000, -0.0012148300000000 ] - [ -0.0006003800000000, -0.0000839000000000, -0.0007906900000000 ] - [ 0.0007084500000000, -0.0006741100000000, 0.0020367100000000 ] - [ -0.0006534300000000, -0.0005133900000000, 0.0001160500000000 ] - [ 0.0004155100000000, -0.0001843600000000, -0.0005634100000000 ] - [ 0.0001635000000000, -0.0007363800000000, -0.0009801900000000 ] - [ 0.0001179700000000, 0.0005720200000000, -0.0010130100000000 ] - [ 0.0004917700000000, 0.0002976300000000, -0.0006289500000000 ] - [ 0.0005229400000000, 0.0026799600000000, 0.0019186200000000 ] - [ -0.0002318100000000, -0.0006221800000000, 0.0005275100000000 ] - [ -0.0015141000000000, 0.0003643800000000, 0.0045663000000000 ] - [ -0.0015254400000000, 0.0003676700000000, 0.0045394900000000 ] - [ 0.0019983600000000, 0.0008461400000000, -0.0046155800000000 ] - [ 0.0016161600000000, 0.0000978000000000, -0.0044932500000000 ] - [ 0.0020144200000000, -0.0005596700000000, -0.0046457700000000 ] - [ 0.0015700200000000, -0.0003671000000000, -0.0045230200000000 ] - [ -0.0014345300000000, -0.0002162900000000, 0.0045214500000000 ] - [ -0.0016141200000000, -0.0005229600000000, 0.0045925700000000 ] - [ 0.0012759900000000, -0.0034721800000000, 0.0007731400000000 ] - [ 0.0012799400000000, -0.0038300700000000, 0.0007970300000000 ] - [ -0.0011941800000000, -0.0029639600000000, -0.0007125200000000 ] - [ -0.0009255400000000, -0.0040668000000000, -0.0007196000000000 ] - [ -0.0007797900000000, 0.0029032500000000, -0.0006231800000000 ] - [ -0.0012574100000000, 0.0040920500000000, -0.0008076800000000 ] - [ 0.0013552100000000, 0.0038968700000000, 0.0008103400000000 ] - [ 0.0011992200000000, 0.0034139500000000, 0.0007565500000000 ] - [ 0.0019996400000000, 0.0005647600000000, -0.0038732700000000 ] - [ 0.0018786400000000, 0.0002321400000000, -0.0040134600000000 ] - [ -0.0015834100000000, 0.0002050100000000, 0.0042764700000000 ] - [ -0.0018731000000000, 0.0003495400000000, 0.0039607000000000 ] - [ -0.0016031500000000, 0.0001475300000000, 0.0042174500000000 ] - [ -0.0018345500000000, -0.0007114300000000, 0.0039229000000000 ] - [ 0.0019636900000000, -0.0004124200000000, -0.0039457100000000 ] - [ 0.0019158500000000, -0.0003917200000000, -0.0039334100000000 ] - [ 0.0007726800000000, 0.0009254400000000, -0.0002172300000000 ] - [ 0.0002976300000000, 0.0006992800000000, -0.0003641700000000 ] - [ 0.0003472600000000, 0.0006728500000000, 0.0005309600000000 ] - [ -0.0000018500000000, 0.0008357200000000, 0.0004507300000000 ] - [ 0.0002837900000000, -0.0005845800000000, 0.0005222100000000 ] - [ 0.0000995000000000, -0.0009363700000000, 0.0004575100000000 ] - [ 0.0008737000000000, -0.0007931300000000, -0.0001863700000000 ] - [ 0.0002453500000000, -0.0008323300000000, -0.0003811500000000 ] - [ -0.0023288400000000, -0.0016311100000000, -0.0022405800000000 ] - [ 0.0014847400000000, 0.0010585200000000, 0.0020627300000000 ] - [ -0.0066061800000000, -0.0073470600000000, 0.0017384700000000 ] - [ 0.0016468300000000, 0.0032127700000000, -0.0001824900000000 ] - [ 0.0492491800000000, -0.1294401100000000, -0.0908302100000000 ] - [ 0.0008294900000000, 0.0058747200000000, -0.0013219400000000 ] - [ 0.0109001800000000, -0.0027155300000000, 0.0029248500000000 ] - [ -0.0022500500000000, 0.0010488300000000, 0.0004601300000000 ] - [ 0.0045488600000000, -0.0037624100000000, 0.0018699300000000 ] - [ 0.0009125200000000, 0.0037558100000000, 0.0012941300000000 ] - [ 0.0018893200000000, 0.0087115300000000, 0.0036477200000000 ] - [ -0.0012939400000000, 0.0026091900000000, -0.0017071200000000 ] - [ -0.0010824800000000, -0.0009647100000000, -0.0003809700000000 ] - [ 0.0003084000000000, 0.0001336300000000, -0.0000878000000000 ] - [ 0.0003656700000000, 0.0003902000000000, 0.0001553200000000 ] - [ -0.0013094500000000, 0.0009118000000000, -0.0002034200000000 ] - [ -0.0016109000000000, -0.0014718600000000, -0.0014235500000000 ] - [ -0.0011561500000000, -0.0012249400000000, -0.0013351500000000 ] - [ 0.0006100400000000, -0.0023484400000000, 0.0012263000000000 ] - [ 0.0005758000000000, -0.0005343300000000, 0.0012247600000000 ] - [ 0.0003644800000000, 0.0018722200000000, 0.0011423400000000 ] - [ 0.0009059200000000, 0.0010780400000000, 0.0012702700000000 ] - [ -0.0015426500000000, 0.0010124600000000, -0.0014134800000000 ] - [ -0.0012003300000000, 0.0016999900000000, -0.0013484500000000 ] - [ 0.0000574000000000, -0.0001604800000000, -0.0000637100000000 ] - [ -0.0001431400000000, 0.0001812700000000, 0.0000480900000000 ] - [ 0.0002002300000000, -0.0004325900000000, 0.0002965500000000 ] - [ -0.0000579300000000, 0.0004741300000000, -0.0002381700000000 ] - [ 0.0014898200000000, -0.0005908700000000, 0.0002118100000000 ] - [ -0.0004886200000000, 0.0007523200000000, 0.0002740000000000 ] - [ -0.0000527400000000, -0.0002125500000000, 0.0001126700000000 ] - [ -0.0000643000000000, 0.0001447800000000, -0.0000948000000000 ] - [ -0.0109658800000000, -0.0030367400000000, -0.0033497100000000 ] - [ 0.0000833500000000, 0.0032548900000000, 0.0010541900000000 ] - [ 0.0018294300000000, 0.0018840700000000, -0.0060945000000000 ] - [ 0.0031370300000000, 0.0186188900000000, -0.0002557300000000 ] - [ 0.0040034800000000, -0.0158272700000000, -0.0003642700000000 ] - [ 0.0010439700000000, 0.0063305000000000, -0.0004634000000000 ] - [ 0.0021214700000000, 0.0002835000000000, 0.0016688400000000 ] - [ -0.0035831000000000, 0.0004319300000000, 0.0000152700000000 ] - [ -0.0028212300000000, 0.0004254400000000, 0.0001504000000000 ] - [ -0.0002861700000000, 0.0003427300000000, 0.0010689700000000 ] - [ -0.0000250200000000, -0.0002217100000000, -0.0009766900000000 ] - [ 0.0005602700000000, 0.0005562700000000, -0.0008584900000000 ] - [ 0.0004040200000000, -0.0001629300000000, -0.0008652200000000 ] - [ 0.0001410500000000, -0.0001833000000000, -0.0009746100000000 ] - [ -0.0022834600000000, -0.0015967000000000, 0.0004004700000000 ] - [ -0.0005509200000000, 0.0009249800000000, 0.0006077000000000 ]- atom: 17 displacement: [ -0.0030072416887981, 0.0000000000000000, 0.0095371115871188 ] forces: - [ -0.0003113100000000, -0.0005079400000000, -0.0009207000000000 ] - [ -0.0000678500000000, -0.0002717100000000, -0.0008569800000000 ] - [ -0.0078889700000000, 0.0042187400000000, 0.0037419200000000 ] - [ 0.0003183100000000, -0.0003717800000000, 0.0011028500000000 ] - [ 0.0013205300000000, 0.0017105900000000, -0.0040184400000000 ] - [ 0.0016635400000000, 0.0012231500000000, 0.0003503200000000 ] - [ -0.0004197300000000, 0.0004922400000000, -0.0006716500000000 ] - [ -0.0015664800000000, 0.0010332600000000, -0.0003973100000000 ] - [ -0.0009018600000000, -0.0006247200000000, 0.0001312100000000 ] - [ -0.0002338600000000, -0.0003212700000000, 0.0007543700000000 ] - [ 0.0010463800000000, 0.0006253000000000, 0.0010280800000000 ] - [ 0.0010415800000000, -0.0001357900000000, 0.0002935600000000 ] - [ -0.0043352100000000, 0.0002439900000000, -0.0042882700000000 ] - [ 0.0003398000000000, 0.0009334500000000, -0.0011496200000000 ] - [ -0.0000620600000000, 0.0004985800000000, 0.0010928700000000 ] - [ -0.0003733100000000, 0.0006434100000000, 0.0010010700000000 ] - [ 0.1313299800000000, -0.1419528900000000, -0.2848253300000000 ] - [ -0.0014539100000000, 0.0008640100000000, 0.0038734500000000 ] - [ 0.0010392400000000, -0.0001361600000000, -0.0036700800000000 ] - [ 0.0004361300000000, 0.0016200200000000, -0.0038680800000000 ] - [ 0.0045285100000000, -0.0022541500000000, -0.0072355000000000 ] - [ 0.0018166000000000, -0.0001693500000000, -0.0047256100000000 ] - [ -0.0030250400000000, 0.0023621600000000, 0.0102316000000000 ] - [ -0.0021693900000000, -0.0020417000000000, 0.0068680200000000 ] - [ 0.0012741800000000, -0.0151040300000000, 0.0054247000000000 ] - [ 0.0007032400000000, -0.0006118500000000, 0.0016599200000000 ] - [ 0.0011903400000000, -0.0026103100000000, -0.0004264800000000 ] - [ -0.0009784100000000, -0.0032650800000000, -0.0007046000000000 ] - [ -0.0018170100000000, 0.0017433400000000, -0.0008580700000000 ] - [ -0.0015770200000000, 0.0046554500000000, -0.0009193900000000 ] - [ 0.0010854100000000, 0.0016900100000000, 0.0004060200000000 ] - [ 0.0021392800000000, 0.0241807700000000, 0.0044836400000000 ] - [ 0.0017501400000000, 0.0111798800000000, -0.0028968700000000 ] - [ 0.0024681600000000, -0.0009900100000000, -0.0058606600000000 ] - [ -0.0008951100000000, -0.0018281500000000, 0.0070376900000000 ] - [ -0.0018199700000000, 0.0006086500000000, 0.0042089100000000 ] - [ -0.0020395900000000, -0.0009184400000000, 0.0031027200000000 ] - [ -0.0019699900000000, 0.0003190900000000, 0.0029826800000000 ] - [ -0.0096184000000000, -0.0041080600000000, 0.0757987600000000 ] - [ 0.0015687400000000, 0.0003883300000000, -0.0032665400000000 ] - [ 0.0021858100000000, 0.0016683000000000, 0.0006735000000000 ] - [ 0.0023823900000000, -0.0004297700000000, 0.0003155500000000 ] - [ 0.0126842400000000, 0.0006303200000000, 0.0132623300000000 ] - [ 0.0002350900000000, 0.0009347000000000, 0.0005086800000000 ] - [ -0.0027179300000000, -0.0036826800000000, -0.0005410700000000 ] - [ -0.0008120800000000, 0.0000444200000000, 0.0001334000000000 ] - [ -0.0250814200000000, 0.0134840200000000, 0.0028682100000000 ] - [ 0.0001948200000000, -0.0007402900000000, -0.0003532600000000 ] - [ -0.0015699700000000, -0.0003295400000000, -0.0004682100000000 ] - [ 0.0000585700000000, -0.0002725600000000, -0.0004964000000000 ] - [ -0.0002304500000000, -0.0002228700000000, 0.0006404000000000 ] - [ -0.0000357900000000, -0.0002650600000000, 0.0007174600000000 ] - [ -0.0000274300000000, 0.0003444500000000, 0.0007700300000000 ] - [ -0.0004299100000000, 0.0002355800000000, 0.0007761600000000 ] - [ -0.0011491500000000, 0.0012264600000000, -0.0012408200000000 ] - [ 0.0001435600000000, 0.0003955300000000, -0.0008224200000000 ] - [ -0.0007493300000000, 0.0002602100000000, 0.0007542800000000 ] - [ -0.0001362700000000, -0.0009331400000000, 0.0015037400000000 ] - [ -0.0000833700000000, -0.0005315500000000, -0.0012341200000000 ] - [ 0.0000100000000000, -0.0003585800000000, -0.0009882500000000 ] - [ -0.0000244400000000, 0.0003644900000000, -0.0009104200000000 ] - [ -0.0001626700000000, 0.0005536700000000, -0.0011055800000000 ] - [ -0.0005055100000000, -0.0001063400000000, -0.0005728900000000 ] - [ -0.0000021000000000, 0.0006978200000000, 0.0009855700000000 ] - [ -0.0018159300000000, 0.0004665800000000, 0.0045738900000000 ] - [ -0.0018131300000000, 0.0004433300000000, 0.0045753600000000 ] - [ 0.0013804500000000, 0.0002500100000000, -0.0045419900000000 ] - [ 0.0016163400000000, 0.0004822700000000, -0.0046065200000000 ] - [ 0.0013828800000000, -0.0002157000000000, -0.0045046100000000 ] - [ 0.0015850000000000, -0.0004706500000000, -0.0045559700000000 ] - [ -0.0018527100000000, -0.0005088600000000, 0.0045720100000000 ] - [ -0.0017544500000000, -0.0003905700000000, 0.0045493100000000 ] - [ 0.0009329100000000, -0.0035361400000000, 0.0006950700000000 ] - [ 0.0009780900000000, -0.0034638100000000, 0.0006967300000000 ] - [ -0.0012514300000000, -0.0039813900000000, -0.0007873000000000 ] - [ -0.0011921200000000, -0.0033542600000000, -0.0007450000000000 ] - [ -0.0013430500000000, 0.0039660900000000, -0.0008243100000000 ] - [ -0.0013707300000000, 0.0033658300000000, -0.0007971700000000 ] - [ 0.0009479300000000, 0.0034346500000000, 0.0006946900000000 ] - [ 0.0010025400000000, 0.0035764300000000, 0.0007125100000000 ] - [ 0.0016663100000000, 0.0002331700000000, -0.0041292100000000 ] - [ 0.0017450800000000, 0.0003649500000000, -0.0040606600000000 ] - [ -0.0020211900000000, 0.0005755400000000, 0.0038121800000000 ] - [ -0.0018764300000000, 0.0002955000000000, 0.0039797600000000 ] - [ -0.0020646400000000, -0.0005217800000000, 0.0038640400000000 ] - [ -0.0018970600000000, -0.0002811900000000, 0.0040322000000000 ] - [ 0.0017022500000000, -0.0002791200000000, -0.0041078200000000 ] - [ 0.0017162800000000, -0.0003092900000000, -0.0041075600000000 ] - [ -0.0004388300000000, 0.0007292800000000, -0.0005661500000000 ] - [ -0.0000884300000000, 0.0007979500000000, -0.0004589600000000 ] - [ -0.0006289100000000, 0.0008925500000000, 0.0002629200000000 ] - [ -0.0005430800000000, 0.0007645500000000, 0.0002863900000000 ] - [ -0.0007529400000000, -0.0008735200000000, 0.0002338500000000 ] - [ -0.0005084100000000, -0.0007421900000000, 0.0003012700000000 ] - [ -0.0004038200000000, -0.0007468400000000, -0.0005572200000000 ] - [ -0.0001479200000000, -0.0007759900000000, -0.0004770500000000 ] - [ 0.0023117800000000, -0.0031154000000000, -0.0014095600000000 ] - [ -0.0005236000000000, -0.0005677700000000, -0.0014234100000000 ] - [ 0.0019308200000000, -0.0014572800000000, 0.0041865200000000 ] - [ -0.0008748300000000, -0.0002930200000000, 0.0002463700000000 ] - [ -0.0835988100000000, 0.0972437200000000, 0.1700560600000000 ] - [ -0.0009700400000000, -0.0016906400000000, -0.0013685900000000 ] - [ 0.0029820100000000, 0.0007558500000000, 0.0015335300000000 ] - [ 0.0021506800000000, -0.0032440400000000, 0.0020030400000000 ] - [ -0.0114513400000000, 0.0056487000000000, -0.0011991600000000 ] - [ 0.0005432600000000, 0.0008925600000000, 0.0012191900000000 ] - [ -0.0026844800000000, -0.0029970100000000, -0.0065805700000000 ] - [ -0.0048416900000000, 0.0099243500000000, -0.0027691400000000 ] - [ 0.0005456200000000, -0.0006989900000000, 0.0006088400000000 ] - [ 0.0001688800000000, -0.0007640100000000, 0.0001559600000000 ] - [ 0.0002694500000000, 0.0004843300000000, -0.0001505700000000 ] - [ 0.0010354500000000, 0.0001303000000000, 0.0000089300000000 ] - [ -0.0004237800000000, -0.0014074100000000, -0.0011742600000000 ] - [ -0.0006047400000000, -0.0014323600000000, -0.0012086400000000 ] - [ 0.0016310000000000, -0.0010699000000000, 0.0014470900000000 ] - [ 0.0013680000000000, -0.0017118000000000, 0.0013811800000000 ] - [ 0.0014404100000000, 0.0009241800000000, 0.0014037100000000 ] - [ 0.0013552900000000, 0.0016157700000000, 0.0013608700000000 ] - [ -0.0003818600000000, 0.0015047500000000, -0.0011573800000000 ] - [ -0.0006519600000000, 0.0012773300000000, -0.0012123900000000 ] - [ -0.0000654200000000, 0.0000378900000000, -0.0000047300000000 ] - [ 0.0000815600000000, -0.0000788500000000, -0.0000078300000000 ] - [ 0.0005623700000000, 0.0007897100000000, -0.0003192700000000 ] - [ -0.0000108500000000, -0.0002557900000000, 0.0001046700000000 ] - [ -0.0008784600000000, 0.0002598300000000, -0.0000446100000000 ] - [ 0.0000257500000000, -0.0001535200000000, -0.0000050900000000 ] - [ 0.0001711000000000, 0.0001076800000000, -0.0000205700000000 ] - [ 0.0000774100000000, -0.0000464600000000, 0.0000457400000000 ] - [ 0.0107296200000000, 0.0009399700000000, 0.0059654800000000 ] - [ -0.0006346200000000, -0.0003212300000000, 0.0008029100000000 ] - [ -0.0066886900000000, 0.0102197000000000, 0.0109777300000000 ] - [ -0.0008855500000000, -0.0081784400000000, -0.0012742200000000 ] - [ -0.0061266500000000, 0.0033595300000000, -0.0004550400000000 ] - [ 0.0003128100000000, -0.0017330700000000, -0.0008946200000000 ] - [ -0.0022382400000000, -0.0014997300000000, 0.0002060900000000 ] - [ -0.0013506000000000, 0.0001988700000000, 0.0000276600000000 ] - [ 0.0005005900000000, -0.0002546400000000, 0.0010845700000000 ] - [ -0.0005856800000000, 0.0005870600000000, 0.0008683600000000 ] - [ 0.0017005500000000, 0.0004193900000000, -0.0004973300000000 ] - [ 0.0013409100000000, 0.0001081000000000, -0.0005788200000000 ] - [ 0.0014521100000000, -0.0002527900000000, -0.0005466400000000 ] - [ 0.0015868000000000, -0.0002134300000000, -0.0004964500000000 ] - [ 0.0003804400000000, 0.0002577600000000, 0.0011221100000000 ] - [ -0.0007859000000000, -0.0004157600000000, 0.0007775600000000 ]- atom: 17 displacement: [ 0.0030072416887981, 0.0000000000000000, -0.0095371115871188 ] forces: - [ -0.0000509000000000, -0.0002817300000000, -0.0005639700000000 ] - [ -0.0002861700000000, -0.0005110800000000, -0.0006279900000000 ] - [ 0.0080692800000000, -0.0048963800000000, -0.0022266500000000 ] - [ 0.0000473800000000, -0.0004168500000000, 0.0003787500000000 ] - [ -0.0007707700000000, -0.0009516800000000, 0.0055038300000000 ] - [ -0.0012848000000000, -0.0004306500000000, 0.0011296200000000 ] - [ 0.0000596000000000, 0.0002968100000000, -0.0008081400000000 ] - [ 0.0012004900000000, -0.0002470800000000, -0.0010811100000000 ] - [ 0.0006357400000000, -0.0002694100000000, 0.0016935100000000 ] - [ -0.0000413200000000, -0.0006018700000000, 0.0010840600000000 ] - [ -0.0007758900000000, -0.0014909800000000, -0.0028057600000000 ] - [ -0.0007592100000000, -0.0007648400000000, -0.0021061900000000 ] - [ 0.0045289700000000, 0.0006684900000000, 0.0023436300000000 ] - [ -0.0000532600000000, 0.0000043200000000, -0.0007012900000000 ] - [ -0.0001982500000000, 0.0004068800000000, 0.0007396500000000 ] - [ 0.0001066200000000, 0.0002570900000000, 0.0008321500000000 ] - [ -0.1391331300000000, 0.1511006900000000, 0.3027326500000000 ] - [ -0.0018461600000000, -0.0000477300000000, 0.0052339200000000 ] - [ 0.0022417100000000, 0.0009412400000000, -0.0054302300000000 ] - [ 0.0028557200000000, -0.0008073100000000, -0.0052447300000000 ] - [ -0.0011928800000000, 0.0014154200000000, -0.0019314900000000 ] - [ 0.0014917200000000, -0.0006399200000000, -0.0044003500000000 ] - [ -0.0002974500000000, -0.0030821900000000, -0.0010225500000000 ] - [ -0.0011404800000000, 0.0011971900000000, 0.0022893800000000 ] - [ 0.0010201700000000, 0.0076691600000000, -0.0038903000000000 ] - [ 0.0015585100000000, -0.0064955800000000, -0.0001646400000000 ] - [ -0.0034159900000000, -0.0045338500000000, -0.0010649000000000 ] - [ -0.0012948900000000, -0.0039044400000000, -0.0007863400000000 ] - [ -0.0004747700000000, 0.0054212200000000, -0.0006318500000000 ] - [ -0.0006959800000000, 0.0025168000000000, -0.0005725700000000 ] - [ 0.0011835500000000, 0.0054435500000000, 0.0010790200000000 ] - [ 0.0001118500000000, -0.0167863000000000, -0.0027441300000000 ] - [ 0.0019479900000000, -0.0102983400000000, -0.0051781600000000 ] - [ 0.0012123100000000, 0.0016692600000000, -0.0021976000000000 ] - [ -0.0027480600000000, 0.0024955600000000, 0.0010258000000000 ] - [ -0.0018489700000000, 0.0001023900000000, 0.0038236700000000 ] - [ -0.0016360900000000, 0.0002069300000000, 0.0049096600000000 ] - [ -0.0017032500000000, -0.0010295400000000, 0.0050326200000000 ] - [ 0.0134148300000000, 0.0033554300000000, -0.0852044500000000 ] - [ 0.0020974100000000, -0.0010851800000000, -0.0047480900000000 ] - [ -0.0018029900000000, -0.0000786300000000, -0.0014488000000000 ] - [ -0.0020070700000000, 0.0019887900000000, -0.0010986600000000 ] - [ -0.0127077300000000, 0.0009459800000000, -0.0122704600000000 ] - [ -0.0005778000000000, 0.0006457900000000, 0.0002764100000000 ] - [ 0.0022809000000000, 0.0020425400000000, 0.0013436200000000 ] - [ 0.0004554700000000, -0.0016146100000000, 0.0006478700000000 ] - [ 0.0254332700000000, -0.0151949800000000, -0.0035362600000000 ] - [ 0.0001512900000000, -0.0008364200000000, -0.0004289200000000 ] - [ 0.0011711500000000, -0.0004525900000000, -0.0010042100000000 ] - [ -0.0004172000000000, -0.0005122900000000, -0.0009848500000000 ] - [ 0.0005848300000000, -0.0005632800000000, 0.0008403600000000 ] - [ 0.0003890200000000, -0.0005180600000000, 0.0007646600000000 ] - [ 0.0003805900000000, 0.0004396100000000, 0.0007147000000000 ] - [ 0.0007841000000000, 0.0005469100000000, 0.0007071600000000 ] - [ 0.0008072500000000, -0.0004276200000000, -0.0002548200000000 ] - [ -0.0005028100000000, 0.0003975700000000, -0.0006585200000000 ] - [ 0.0004455300000000, -0.0011706100000000, 0.0010835000000000 ] - [ -0.0001172400000000, 0.0000133900000000, 0.0003497800000000 ] - [ 0.0003452500000000, -0.0003693500000000, -0.0005946200000000 ] - [ 0.0002536200000000, -0.0005446700000000, -0.0008477800000000 ] - [ 0.0002860900000000, 0.0005321800000000, -0.0009180900000000 ] - [ 0.0004318000000000, 0.0003680200000000, -0.0007378500000000 ] - [ 0.0002444100000000, 0.0010196100000000, 0.0023942000000000 ] - [ -0.0002497600000000, 0.0001960400000000, 0.0008449200000000 ] - [ -0.0014910200000000, 0.0003450200000000, 0.0045478200000000 ] - [ -0.0014945100000000, 0.0003712800000000, 0.0045479600000000 ] - [ 0.0019213100000000, 0.0005636900000000, -0.0045757900000000 ] - [ 0.0016869600000000, 0.0003321200000000, -0.0045145700000000 ] - [ 0.0019171300000000, -0.0005947900000000, -0.0046172300000000 ] - [ 0.0017210300000000, -0.0003446800000000, -0.0045673300000000 ] - [ -0.0014528300000000, -0.0003027100000000, 0.0045489600000000 ] - [ -0.0015531800000000, -0.0004265000000000, 0.0045710900000000 ] - [ 0.0013392600000000, -0.0036233000000000, 0.0007965000000000 ] - [ 0.0012874300000000, -0.0037079800000000, 0.0007939800000000 ] - [ -0.0010201500000000, -0.0031876700000000, -0.0007031000000000 ] - [ -0.0010804300000000, -0.0038140000000000, -0.0007465100000000 ] - [ -0.0009297700000000, 0.0031966700000000, -0.0006682500000000 ] - [ -0.0008980500000000, 0.0037970500000000, -0.0006945500000000 ] - [ 0.0013229800000000, 0.0037406100000000, 0.0007973600000000 ] - [ 0.0012690800000000, 0.0035880000000000, 0.0007777600000000 ] - [ 0.0020009300000000, 0.0004746100000000, -0.0038995100000000 ] - [ 0.0019207400000000, 0.0003375200000000, -0.0039674000000000 ] - [ -0.0016508100000000, 0.0001316200000000, 0.0042154000000000 ] - [ -0.0017908800000000, 0.0004075300000000, 0.0040526700000000 ] - [ -0.0016065900000000, -0.0001859300000000, 0.0041570500000000 ] - [ -0.0017735200000000, -0.0004234900000000, 0.0039948400000000 ] - [ 0.0019646100000000, -0.0004275200000000, -0.0039223300000000 ] - [ 0.0019503400000000, -0.0003957400000000, -0.0039230300000000 ] - [ 0.0007773100000000, 0.0008499600000000, -0.0002201500000000 ] - [ 0.0004266500000000, 0.0007777700000000, -0.0003266200000000 ] - [ 0.0002721200000000, 0.0006857300000000, 0.0005184100000000 ] - [ 0.0001948700000000, 0.0008128800000000, 0.0004970900000000 ] - [ 0.0004045800000000, -0.0007026600000000, 0.0005495600000000 ] - [ 0.0001552700000000, -0.0008368400000000, 0.0004811700000000 ] - [ 0.0007421200000000, -0.0008313000000000, -0.0002288800000000 ] - [ 0.0004948500000000, -0.0008027900000000, -0.0003064900000000 ] - [ -0.0022290600000000, 0.0020037400000000, 0.0013634500000000 ] - [ 0.0005204700000000, -0.0004734200000000, 0.0014052600000000 ] - [ -0.0020164000000000, 0.0023962900000000, -0.0041023500000000 ] - [ 0.0008696600000000, 0.0013151300000000, -0.0002348600000000 ] - [ 0.0870507800000000, -0.1089057000000000, -0.1820709600000000 ] - [ -0.0010009700000000, -0.0010602000000000, -0.0012224900000000 ] - [ -0.0009215800000000, -0.0034883900000000, 0.0010608000000000 ] - [ -0.0001601500000000, 0.0004878000000000, 0.0005904600000000 ] - [ 0.0132183900000000, -0.0028280200000000, 0.0038054100000000 ] - [ 0.0014255900000000, 0.0018612500000000, 0.0013687300000000 ] - [ 0.0006719200000000, 0.0056844100000000, 0.0039750900000000 ] - [ 0.0027870300000000, -0.0070263600000000, 0.0001737800000000 ] - [ -0.0005398100000000, -0.0003498500000000, -0.0006075600000000 ] - [ -0.0001676500000000, -0.0002807900000000, -0.0001502800000000 ] - [ -0.0002663200000000, 0.0005589300000000, 0.0001494300000000 ] - [ -0.0010277200000000, 0.0009139100000000, -0.0000100700000000 ] - [ -0.0015442300000000, -0.0013507500000000, -0.0014120700000000 ] - [ -0.0013638400000000, -0.0013245400000000, -0.0013776500000000 ] - [ 0.0003464400000000, -0.0016806200000000, 0.0011437800000000 ] - [ 0.0006105900000000, -0.0010455800000000, 0.0012087200000000 ] - [ 0.0005428100000000, 0.0018256300000000, 0.0011853600000000 ] - [ 0.0006172900000000, 0.0011431500000000, 0.0012263200000000 ] - [ -0.0015831700000000, 0.0012472100000000, -0.0014287600000000 ] - [ -0.0013136000000000, 0.0014802000000000, -0.0013736900000000 ] - [ 0.0000635100000000, -0.0000386900000000, 0.0000046300000000 ] - [ -0.0000813600000000, 0.0000794200000000, 0.0000081700000000 ] - [ -0.0005546600000000, -0.0007816800000000, 0.0003168700000000 ] - [ 0.0000103000000000, 0.0002500500000000, -0.0001029000000000 ] - [ 0.0008679600000000, -0.0002578200000000, 0.0000391400000000 ] - [ -0.0000248900000000, 0.0001512500000000, 0.0000055100000000 ] - [ -0.0001709800000000, -0.0001103800000000, 0.0000210900000000 ] - [ -0.0000745000000000, 0.0000486200000000, -0.0000461600000000 ] - [ -0.0123038200000000, -0.0005394600000000, -0.0044513300000000 ] - [ -0.0010309500000000, 0.0007322600000000, 0.0006859600000000 ] - [ 0.0082998900000000, -0.0094334700000000, -0.0127473300000000 ] - [ 0.0025255600000000, 0.0084548900000000, -0.0002252400000000 ] - [ 0.0066671700000000, -0.0034538300000000, 0.0005435100000000 ] - [ 0.0013418000000000, 0.0012991700000000, -0.0005998700000000 ] - [ 0.0005477000000000, 0.0010670400000000, 0.0012733300000000 ] - [ -0.0003212900000000, -0.0006045600000000, 0.0014623700000000 ] - [ -0.0021504000000000, 0.0006682800000000, 0.0004197900000000 ] - [ -0.0010796800000000, -0.0001704100000000, 0.0006227100000000 ] - [ -0.0000204300000000, -0.0000107500000000, -0.0009869000000000 ] - [ 0.0003315600000000, 0.0003092900000000, -0.0009081200000000 ] - [ 0.0002234800000000, -0.0001610300000000, -0.0009405200000000 ] - [ 0.0000904300000000, -0.0001959000000000, -0.0009887900000000 ] - [ -0.0020285300000000, -0.0006606300000000, 0.0003667400000000 ] - [ -0.0008793800000000, 0.0000019700000000, 0.0007138500000000 ]- atom: 25 displacement: [ 0.0099999367125711, 0.0000000000000000, -0.0000355773041697 ] forces: - [ 0.0028314500000000, 0.0012268200000000, -0.0012109200000000 ] - [ 0.0001851300000000, -0.0004514900000000, -0.0006928400000000 ] - [ 0.0008479200000000, -0.0016833900000000, 0.0002970800000000 ] - [ -0.0024753400000000, 0.0014093800000000, 0.0006642600000000 ] - [ -0.0017657400000000, -0.0015123800000000, 0.0017113700000000 ] - [ -0.0014676300000000, 0.0000076600000000, 0.0003469500000000 ] - [ 0.0003299600000000, 0.0001241700000000, -0.0007321900000000 ] - [ 0.0009266500000000, 0.0002777400000000, -0.0003869600000000 ] - [ 0.0005653000000000, 0.0000805800000000, 0.0009821400000000 ] - [ 0.0001828100000000, -0.0007353100000000, 0.0011982900000000 ] - [ 0.0000316000000000, -0.0011750000000000, -0.0013659000000000 ] - [ -0.0005362700000000, 0.0013290700000000, -0.0017418300000000 ] - [ 0.0028313200000000, -0.0055602900000000, 0.0050676400000000 ] - [ -0.0006643100000000, 0.0003112500000000, -0.0013124800000000 ] - [ 0.0001032100000000, 0.0005612100000000, 0.0011260800000000 ] - [ 0.0014301100000000, 0.0001622200000000, 0.0022173800000000 ] - [ -0.0039053200000000, 0.0024869000000000, 0.0039773500000000 ] - [ -0.0019813800000000, -0.0002372900000000, 0.0040106600000000 ] - [ 0.0012132100000000, 0.0002950300000000, -0.0045344800000000 ] - [ 0.0011149400000000, -0.0000363600000000, -0.0023060600000000 ] - [ 0.0022168800000000, 0.0016684300000000, -0.0050888100000000 ] - [ 0.0017260600000000, -0.0014476300000000, -0.0050026800000000 ] - [ -0.0026683600000000, -0.0021611000000000, 0.0041898800000000 ] - [ -0.0110819400000000, 0.0011983900000000, 0.0026126300000000 ] - [ -0.1447294200000000, 0.1553635600000000, -0.0143925700000000 ] - [ 0.0008055600000000, -0.0051114100000000, 0.0006011100000000 ] - [ -0.0009143000000000, -0.0020483100000000, -0.0006503000000000 ] - [ -0.0009165500000000, -0.0072902300000000, -0.0005609500000000 ] - [ -0.0016988200000000, 0.0048052200000000, -0.0008724700000000 ] - [ -0.0009308900000000, 0.0018296200000000, -0.0006159800000000 ] - [ 0.0003263700000000, 0.0018555500000000, 0.0004992400000000 ] - [ -0.0002708000000000, 0.0050266600000000, -0.0011718800000000 ] - [ 0.0006317000000000, -0.0023075600000000, -0.0039404900000000 ] - [ -0.0054724200000000, -0.0061971200000000, -0.0058902800000000 ] - [ -0.0019970100000000, 0.0025019900000000, 0.0047154900000000 ] - [ -0.0019409300000000, -0.0006955800000000, 0.0044280000000000 ] - [ -0.0021944700000000, -0.0005264600000000, 0.0038004100000000 ] - [ -0.0008845900000000, -0.0005793600000000, 0.0024563600000000 ] - [ 0.0003495600000000, -0.0016183400000000, -0.0086688300000000 ] - [ 0.0013018100000000, -0.0007252300000000, -0.0040401100000000 ] - [ -0.0017548000000000, 0.0003369200000000, -0.0009358400000000 ] - [ 0.0404256000000000, -0.0267446000000000, 0.0095414500000000 ] - [ -0.0033367100000000, 0.0045528400000000, -0.0005033500000000 ] - [ -0.0018419300000000, -0.0001899200000000, 0.0000428800000000 ] - [ -0.0023856900000000, -0.0008931400000000, -0.0002833000000000 ] - [ -0.0023456600000000, -0.0015084900000000, -0.0006875000000000 ] - [ -0.0032873500000000, 0.0002909700000000, -0.0013945800000000 ] - [ -0.0009708000000000, -0.0011174000000000, -0.0007361700000000 ] - [ 0.0002679700000000, -0.0008229400000000, -0.0006843000000000 ] - [ 0.0004531200000000, 0.0008032300000000, -0.0011571800000000 ] - [ 0.0017120500000000, -0.0007252300000000, 0.0007522500000000 ] - [ 0.0010385800000000, -0.0008140900000000, 0.0007494900000000 ] - [ 0.0009197000000000, 0.0006317300000000, 0.0007883400000000 ] - [ 0.0016541400000000, 0.0010170100000000, 0.0008660400000000 ] - [ 0.0017950200000000, -0.0014749200000000, -0.0001803700000000 ] - [ -0.0008198800000000, 0.0010465400000000, -0.0005267900000000 ] - [ 0.0000781700000000, -0.0010610200000000, 0.0011254700000000 ] - [ 0.0013368300000000, 0.0021152400000000, 0.0002796500000000 ] - [ 0.0009479900000000, -0.0001710100000000, -0.0003462800000000 ] - [ 0.0006629500000000, -0.0007507300000000, -0.0006953500000000 ] - [ 0.0005740400000000, 0.0005483000000000, -0.0006636900000000 ] - [ 0.0009295900000000, 0.0004471100000000, -0.0002006300000000 ] - [ 0.0006600400000000, -0.0002843800000000, 0.0022505900000000 ] - [ -0.0004169400000000, 0.0004379300000000, 0.0006980800000000 ] - [ -0.0012081700000000, 0.0002584700000000, 0.0045423700000000 ] - [ -0.0010779300000000, 0.0002706400000000, 0.0045314000000000 ] - [ 0.0022490600000000, 0.0003508600000000, -0.0044945600000000 ] - [ 0.0019605100000000, 0.0006178400000000, -0.0045235200000000 ] - [ 0.0021188500000000, -0.0007607300000000, -0.0046319300000000 ] - [ 0.0021712900000000, -0.0002843200000000, -0.0046476300000000 ] - [ -0.0010696800000000, -0.0001876500000000, 0.0045492600000000 ] - [ -0.0012403000000000, -0.0003446100000000, 0.0045527800000000 ] - [ 0.0016790700000000, -0.0038046400000000, 0.0008830300000000 ] - [ 0.0016765900000000, -0.0038840600000000, 0.0009027200000000 ] - [ -0.0003733100000000, -0.0031203400000000, -0.0005546000000000 ] - [ -0.0008960000000000, -0.0036150900000000, -0.0006905900000000 ] - [ -0.0008180300000000, 0.0031566800000000, -0.0006441800000000 ] - [ 0.0002430000000000, 0.0034310400000000, -0.0004035600000000 ] - [ 0.0016861800000000, 0.0038907600000000, 0.0009056100000000 ] - [ 0.0017327400000000, 0.0038066900000000, 0.0008955900000000 ] - [ 0.0023074200000000, 0.0006236400000000, -0.0036930000000000 ] - [ 0.0021739600000000, 0.0004352000000000, -0.0037865400000000 ] - [ -0.0014456200000000, -0.0001108000000000, 0.0043813100000000 ] - [ -0.0014733000000000, 0.0005137400000000, 0.0043321300000000 ] - [ -0.0012632600000000, -0.0004598600000000, 0.0042606500000000 ] - [ -0.0015199700000000, -0.0000396900000000, 0.0041793300000000 ] - [ 0.0022057700000000, -0.0005373500000000, -0.0037617200000000 ] - [ 0.0022940200000000, -0.0005262100000000, -0.0036851400000000 ] - [ 0.0017468600000000, 0.0008735600000000, 0.0000460200000000 ] - [ 0.0013280900000000, 0.0008696400000000, -0.0000812700000000 ] - [ 0.0010099900000000, 0.0006210700000000, 0.0007368800000000 ] - [ 0.0014085700000000, 0.0007828000000000, 0.0008288500000000 ] - [ 0.0017179500000000, -0.0007861200000000, 0.0008956400000000 ] - [ 0.0009492200000000, -0.0007283000000000, 0.0007163200000000 ] - [ 0.0015447000000000, -0.0009180600000000, -0.0000114600000000 ] - [ 0.0017158800000000, -0.0008171600000000, 0.0000335600000000 ] - [ -0.0011001100000000, 0.0013717900000000, 0.0003990800000000 ] - [ 0.0009407900000000, -0.0047707400000000, 0.0012189700000000 ] - [ -0.0006870300000000, 0.0047236500000000, -0.0041933600000000 ] - [ 0.0016234400000000, 0.0003300100000000, 0.0001984000000000 ] - [ 0.0041317000000000, -0.0042917600000000, 0.0033094000000000 ] - [ 0.0005774800000000, 0.0002842000000000, -0.0006331100000000 ] - [ 0.0031223000000000, -0.0017904400000000, 0.0017311100000000 ] - [ 0.0021105000000000, 0.0017013900000000, 0.0014760000000000 ] - [ 0.0011738900000000, -0.0025401500000000, 0.0010745300000000 ] - [ 0.0022299000000000, 0.0052346500000000, 0.0014161600000000 ] - [ 0.0012603100000000, 0.0037011400000000, -0.0004833300000000 ] - [ 0.1231930400000000, -0.1262628800000000, 0.0100054100000000 ] - [ -0.0025166100000000, -0.0015416600000000, -0.0002349400000000 ] - [ -0.0009337300000000, 0.0000065300000000, -0.0002696200000000 ] - [ -0.0008709500000000, 0.0004380700000000, -0.0002462200000000 ] - [ -0.0021325500000000, 0.0001731200000000, -0.0010997100000000 ] - [ -0.0024519600000000, -0.0013002700000000, -0.0016253000000000 ] - [ -0.0026316800000000, -0.0013051900000000, -0.0016661000000000 ] - [ -0.0012436200000000, -0.0008634900000000, 0.0007947000000000 ] - [ -0.0001359400000000, -0.0014662000000000, 0.0009934000000000 ] - [ -0.0001731100000000, 0.0019809400000000, 0.0009699800000000 ] - [ -0.0007752700000000, 0.0009962000000000, 0.0009357200000000 ] - [ -0.0026342700000000, 0.0011720200000000, -0.0016688300000000 ] - [ -0.0023157000000000, 0.0014346100000000, -0.0015995200000000 ] - [ -0.0001579600000000, -0.0000832400000000, -0.0000879000000000 ] - [ -0.0004098600000000, 0.0002454100000000, 0.0000322500000000 ] - [ -0.0021035600000000, 0.0006817600000000, -0.0011693200000000 ] - [ 0.0001731800000000, 0.0002236800000000, -0.0000674900000000 ] - [ 0.0000114000000000, -0.0001260000000000, -0.0001361500000000 ] - [ 0.0000274100000000, 0.0001708500000000, 0.0000856900000000 ] - [ -0.0002203000000000, -0.0001790500000000, 0.0000199100000000 ] - [ -0.0002191200000000, 0.0000753300000000, -0.0001029300000000 ] - [ -0.0009292900000000, -0.0023673000000000, 0.0010110600000000 ] - [ -0.0008051900000000, 0.0018282500000000, 0.0008251100000000 ] - [ 0.0040564900000000, 0.0024874000000000, 0.0003486500000000 ] - [ 0.0059361200000000, -0.0016178100000000, 0.0037008300000000 ] - [ 0.0124015200000000, 0.0050967600000000, 0.0004328600000000 ] - [ 0.0054260000000000, 0.0023829300000000, -0.0004318900000000 ] - [ -0.0001505900000000, -0.0002192100000000, 0.0009610900000000 ] - [ -0.0168425000000000, -0.0011558300000000, -0.0051200400000000 ] - [ -0.0030529000000000, 0.0014795700000000, 0.0004328900000000 ] - [ -0.0032075000000000, -0.0015541300000000, -0.0004303100000000 ] - [ -0.0018565900000000, -0.0001332900000000, -0.0015689200000000 ] - [ -0.0010051000000000, 0.0003054700000000, -0.0013514400000000 ] - [ -0.0009953200000000, -0.0000271200000000, -0.0012951800000000 ] - [ -0.0017598200000000, -0.0001135400000000, -0.0015563200000000 ] - [ -0.0032882200000000, 0.0003746100000000, -0.0003218300000000 ] - [ -0.0020743700000000, -0.0008602400000000, 0.0006005400000000 ]- atom: 25 displacement: [ -0.0099999367125711, 0.0000000000000000, 0.0000355773041697 ] forces: - [ -0.0031481000000000, -0.0020031300000000, -0.0002771800000000 ] - [ -0.0005138400000000, -0.0003329700000000, -0.0007917500000000 ] - [ -0.0004883600000000, 0.0008910800000000, 0.0011788800000000 ] - [ 0.0028329700000000, -0.0022099700000000, 0.0008182600000000 ] - [ 0.0021123700000000, 0.0023106200000000, -0.0002290900000000 ] - [ 0.0018117400000000, 0.0007792500000000, 0.0011398700000000 ] - [ -0.0006622000000000, 0.0006615100000000, -0.0007507700000000 ] - [ -0.0012543500000000, 0.0005079100000000, -0.0010927400000000 ] - [ -0.0008095800000000, -0.0009816100000000, 0.0008552000000000 ] - [ -0.0004321500000000, -0.0001786500000000, 0.0006414100000000 ] - [ 0.0002218200000000, 0.0002611500000000, -0.0004722600000000 ] - [ 0.0007879200000000, -0.0022611200000000, -0.0000901500000000 ] - [ -0.0026106800000000, 0.0065600200000000, -0.0069742800000000 ] - [ 0.0009232400000000, 0.0006099100000000, -0.0005287600000000 ] - [ -0.0003521000000000, 0.0003571900000000, 0.0007182100000000 ] - [ -0.0016731300000000, 0.0007461900000000, -0.0003733300000000 ] - [ 0.0005707700000000, -0.0016731700000000, 0.0051638700000000 ] - [ -0.0013470500000000, 0.0010688200000000, 0.0051228600000000 ] - [ 0.0021062400000000, 0.0005282100000000, -0.0045919900000000 ] - [ 0.0021928900000000, 0.0008474900000000, -0.0068019200000000 ] - [ 0.0011017700000000, -0.0024739400000000, -0.0040422200000000 ] - [ 0.0015908200000000, 0.0006258700000000, -0.0041273400000000 ] - [ -0.0006563800000000, 0.0013379800000000, 0.0049336200000000 ] - [ 0.0077249200000000, -0.0018652000000000, 0.0064519300000000 ] - [ 0.1456199700000000, -0.1575701900000000, 0.0153400400000000 ] - [ 0.0014493900000000, -0.0020335600000000, 0.0008842500000000 ] - [ -0.0013463900000000, -0.0051083000000000, -0.0008366000000000 ] - [ -0.0013479000000000, 0.0000961700000000, -0.0009254800000000 ] - [ -0.0005644100000000, 0.0023610800000000, -0.0006151300000000 ] - [ -0.0013325500000000, 0.0053240900000000, -0.0008709500000000 ] - [ 0.0019341000000000, 0.0053203500000000, 0.0009874400000000 ] - [ 0.0025304600000000, 0.0021249700000000, 0.0026665400000000 ] - [ 0.0030113900000000, 0.0030028600000000, -0.0041028200000000 ] - [ 0.0090297300000000, 0.0069923000000000, -0.0021172700000000 ] - [ -0.0016596700000000, -0.0017845600000000, 0.0033309400000000 ] - [ -0.0017153500000000, 0.0013952800000000, 0.0036170200000000 ] - [ -0.0014567000000000, -0.0001713700000000, 0.0042441200000000 ] - [ -0.0027640800000000, -0.0001308700000000, 0.0055693200000000 ] - [ 0.0033140500000000, 0.0009126600000000, 0.0006256500000000 ] - [ 0.0023487500000000, 0.0000383600000000, -0.0040126300000000 ] - [ 0.0021029500000000, 0.0012429000000000, 0.0001527300000000 ] - [ -0.0391804700000000, 0.0277406100000000, -0.0101239100000000 ] - [ 0.0029606300000000, -0.0029442300000000, 0.0012857400000000 ] - [ 0.0014521100000000, 0.0017729400000000, 0.0007310700000000 ] - [ 0.0020160200000000, -0.0006865400000000, 0.0010611700000000 ] - [ 0.0019570100000000, -0.0000782500000000, 0.0014544400000000 ] - [ 0.0036258200000000, -0.0018698300000000, 0.0006068500000000 ] - [ 0.0013146700000000, -0.0004577700000000, -0.0000474500000000 ] - [ -0.0005858700000000, 0.0000464700000000, -0.0008002800000000 ] - [ -0.0007773900000000, -0.0015941800000000, -0.0003242000000000 ] - [ -0.0013795800000000, -0.0000590700000000, 0.0007308100000000 ] - [ -0.0007127800000000, 0.0000301700000000, 0.0007328500000000 ] - [ -0.0005930800000000, 0.0001503300000000, 0.0006961600000000 ] - [ -0.0013249400000000, -0.0002321500000000, 0.0006190000000000 ] - [ -0.0021287900000000, 0.0022698600000000, -0.0013036500000000 ] - [ 0.0005025100000000, -0.0002684400000000, -0.0009567900000000 ] - [ -0.0003240300000000, 0.0001435700000000, 0.0007226600000000 ] - [ -0.0016000100000000, -0.0030546800000000, 0.0015708400000000 ] - [ -0.0006986300000000, -0.0007423000000000, -0.0014953600000000 ] - [ -0.0004144600000000, -0.0001634700000000, -0.0011454300000000 ] - [ -0.0003286700000000, 0.0003580000000000, -0.0011751800000000 ] - [ -0.0006822700000000, 0.0004644500000000, -0.0016393000000000 ] - [ -0.0009058800000000, 0.0012065400000000, -0.0004088600000000 ] - [ 0.0001752400000000, 0.0004765200000000, 0.0011475100000000 ] - [ -0.0021142400000000, 0.0005600300000000, 0.0045851200000000 ] - [ -0.0022443800000000, 0.0005500400000000, 0.0045967200000000 ] - [ 0.0010730000000000, 0.0004731500000000, -0.0046325200000000 ] - [ 0.0013630900000000, 0.0002015900000000, -0.0046036300000000 ] - [ 0.0012034500000000, -0.0000568500000000, -0.0044949200000000 ] - [ 0.0011519000000000, -0.0005379100000000, -0.0044800200000000 ] - [ -0.0022519100000000, -0.0006300000000000, 0.0045771600000000 ] - [ -0.0020819300000000, -0.0004779600000000, 0.0045739200000000 ] - [ 0.0005813000000000, -0.0033518200000000, 0.0006038000000000 ] - [ 0.0005818900000000, -0.0032811500000000, 0.0005834900000000 ] - [ -0.0018876800000000, -0.0040403200000000, -0.0009320900000000 ] - [ -0.0013625300000000, -0.0035501800000000, -0.0007951400000000 ] - [ -0.0014387900000000, 0.0040019700000000, -0.0008417000000000 ] - [ -0.0025072100000000, 0.0037314500000000, -0.0010833800000000 ] - [ 0.0005740000000000, 0.0032772300000000, 0.0005810800000000 ] - [ 0.0005260400000000, 0.0033517100000000, 0.0005902500000000 ] - [ 0.0013423000000000, 0.0000802800000000, -0.0043520400000000 ] - [ 0.0014747900000000, 0.0002639500000000, -0.0042576400000000 ] - [ -0.0022040700000000, 0.0008144200000000, 0.0036635100000000 ] - [ -0.0021759800000000, 0.0001837200000000, 0.0037147000000000 ] - [ -0.0023865500000000, -0.0002385500000000, 0.0037839700000000 ] - [ -0.0021289400000000, -0.0006633200000000, 0.0038663600000000 ] - [ 0.0014442200000000, -0.0001648100000000, -0.0042839600000000 ] - [ 0.0013560500000000, -0.0001740200000000, -0.0043603700000000 ] - [ -0.0013899100000000, 0.0007080400000000, -0.0008266400000000 ] - [ -0.0009708400000000, 0.0007091100000000, -0.0006990500000000 ] - [ -0.0013684500000000, 0.0009591800000000, 0.0000428300000000 ] - [ -0.0017669800000000, 0.0007965800000000, -0.0000485300000000 ] - [ -0.0020772500000000, -0.0007917500000000, -0.0001151500000000 ] - [ -0.0013067500000000, -0.0008524600000000, 0.0000641300000000 ] - [ -0.0011877400000000, -0.0006611100000000, -0.0007689400000000 ] - [ -0.0013560700000000, -0.0007633100000000, -0.0008132900000000 ] - [ 0.0010865800000000, -0.0024198500000000, -0.0004050100000000 ] - [ -0.0009538100000000, 0.0037592000000000, -0.0012231600000000 ] - [ 0.0006707300000000, -0.0036963900000000, 0.0041967000000000 ] - [ -0.0016415000000000, 0.0007178900000000, -0.0001991700000000 ] - [ -0.0060811100000000, 0.0015352900000000, -0.0058966600000000 ] - [ -0.0025325300000000, -0.0030601800000000, -0.0019483600000000 ] - [ -0.0011433800000000, -0.0009724400000000, 0.0008559300000000 ] - [ -0.0001088000000000, -0.0044287500000000, 0.0011187300000000 ] - [ 0.0008172600000000, 0.0052787700000000, 0.0015150400000000 ] - [ -0.0002280300000000, -0.0024544100000000, 0.0011748100000000 ] - [ -0.0032154700000000, -0.0009447600000000, -0.0020969500000000 ] - [ -0.1244319300000000, 0.1245712400000000, -0.0122102000000000 ] - [ 0.0025107800000000, 0.0004905300000000, 0.0002335100000000 ] - [ 0.0009369300000000, -0.0010540700000000, 0.0002727600000000 ] - [ 0.0008738200000000, 0.0006047200000000, 0.0002481300000000 ] - [ 0.0021285900000000, 0.0008777700000000, 0.0010943600000000 ] - [ 0.0004833400000000, -0.0014594800000000, -0.0009596300000000 ] - [ 0.0006655700000000, -0.0014514800000000, -0.0009180400000000 ] - [ 0.0032153800000000, -0.0018984800000000, 0.0017915100000000 ] - [ 0.0021025700000000, -0.0012882200000000, 0.0015922500000000 ] - [ 0.0021427200000000, 0.0007743100000000, 0.0016160300000000 ] - [ 0.0027428900000000, 0.0017651600000000, 0.0016486900000000 ] - [ 0.0006679700000000, 0.0015814400000000, -0.0009156600000000 ] - [ 0.0003490600000000, 0.0013262100000000, -0.0009851800000000 ] - [ 0.0001587700000000, 0.0000814600000000, 0.0000875400000000 ] - [ 0.0004083900000000, -0.0002422600000000, -0.0000307200000000 ] - [ 0.0021499700000000, -0.0007004300000000, 0.0012002300000000 ] - [ -0.0001745600000000, -0.0002251300000000, 0.0000683200000000 ] - [ -0.0000115400000000, 0.0001269200000000, 0.0001342800000000 ] - [ -0.0000281600000000, -0.0001710200000000, -0.0000853700000000 ] - [ 0.0002188200000000, 0.0001768000000000, -0.0000184000000000 ] - [ 0.0002205300000000, -0.0000731700000000, 0.0001022900000000 ] - [ -0.0007527000000000, 0.0027659200000000, 0.0004744700000000 ] - [ -0.0008808200000000, -0.0014118600000000, 0.0006544000000000 ] - [ -0.0023671200000000, -0.0020770100000000, -0.0018307500000000 ] - [ -0.0042854500000000, 0.0020421700000000, -0.0051807500000000 ] - [ -0.0107375100000000, -0.0057371000000000, -0.0018927300000000 ] - [ -0.0037527400000000, -0.0028503400000000, -0.0010548100000000 ] - [ -0.0015355700000000, -0.0001961000000000, 0.0005179000000000 ] - [ 0.0150491000000000, 0.0007389400000000, 0.0065599700000000 ] - [ 0.0013585700000000, -0.0010742500000000, 0.0010434200000000 ] - [ 0.0015145800000000, 0.0019809700000000, 0.0019127900000000 ] - [ 0.0035548300000000, 0.0005438800000000, 0.0000934300000000 ] - [ 0.0027025500000000, 0.0001116800000000, -0.0001253100000000 ] - [ 0.0026907500000000, -0.0003874900000000, -0.0001823800000000 ] - [ 0.0034574500000000, -0.0002969800000000, 0.0000807400000000 ] - [ 0.0015962200000000, -0.0007950300000000, 0.0018025400000000 ] - [ 0.0003737200000000, 0.0004543400000000, 0.0008742700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0023913000000000, -0.0022820300000000, -0.0001953100000000 ] - [ 0.0001655600000000, 0.0003848000000000, -0.0009763500000000 ] - [ -0.0136985300000000, 0.0074223500000000, 0.0039227500000000 ] - [ 0.0062852200000000, -0.0013741600000000, 0.0009224800000000 ] - [ -0.0016449100000000, 0.0007246200000000, -0.0010929400000000 ] - [ 0.0055393000000000, 0.0037635600000000, 0.0013609900000000 ] - [ -0.0008463600000000, 0.0012078700000000, -0.0005546000000000 ] - [ -0.0002149200000000, -0.0004676800000000, -0.0011033400000000 ] - [ -0.0001669900000000, -0.0011028500000000, 0.0012825500000000 ] - [ -0.0005092000000000, 0.0000609900000000, 0.0004449900000000 ] - [ -0.0016278500000000, 0.0028087300000000, 0.0001668200000000 ] - [ 0.0034995700000000, -0.0026788100000000, -0.0001677500000000 ] - [ -0.0081767000000000, 0.0007950700000000, -0.0092140500000000 ] - [ 0.0024852600000000, 0.0027346600000000, -0.0001977200000000 ] - [ 0.0000893500000000, 0.0008277800000000, 0.0012987100000000 ] - [ -0.0014153000000000, 0.0003056800000000, -0.0003212800000000 ] - [ 0.0050948000000000, -0.0024264200000000, -0.0053160700000000 ] - [ -0.0033110600000000, 0.0058040500000000, 0.0071230600000000 ] - [ 0.0027978300000000, 0.0020006500000000, -0.0045347700000000 ] - [ 0.0002061200000000, -0.0013974500000000, -0.0060369000000000 ] - [ 0.0046825200000000, -0.0048418400000000, -0.0055425300000000 ] - [ 0.0001930100000000, 0.0020687900000000, -0.0038978800000000 ] - [ 0.0000034100000000, 0.0086477800000000, 0.0070705700000000 ] - [ -0.0033782800000000, 0.0371292000000000, -0.0172686900000000 ] - [ 0.1527797000000000, -0.3827619600000000, 0.0289171200000000 ] - [ -0.0004102700000000, 0.0073052100000000, 0.0004433400000000 ] - [ 0.0025729900000000, -0.0017381000000000, -0.0001342000000000 ] - [ -0.0026727400000000, -0.0017152200000000, -0.0011736400000000 ] - [ 0.0000917300000000, 0.0026543200000000, -0.0003585400000000 ] - [ -0.0028858800000000, 0.0059223900000000, -0.0012491600000000 ] - [ 0.0028768100000000, 0.0126018800000000, 0.0011877800000000 ] - [ -0.0003223400000000, -0.0105302300000000, 0.0003248000000000 ] - [ 0.0058404400000000, 0.0130309000000000, -0.0062834400000000 ] - [ -0.0091960800000000, 0.0380069500000000, 0.0154074300000000 ] - [ 0.0009639900000000, -0.0044023000000000, 0.0060430500000000 ] - [ -0.0028797400000000, 0.0029714100000000, 0.0029275600000000 ] - [ -0.0008195400000000, 0.0014042300000000, 0.0045374500000000 ] - [ -0.0039589400000000, -0.0024572500000000, 0.0041364800000000 ] - [ 0.0010115400000000, -0.0007709300000000, 0.0079949700000000 ] - [ 0.0022130200000000, 0.0054793100000000, -0.0065298400000000 ] - [ 0.0037927000000000, 0.0036477700000000, 0.0007190100000000 ] - [ -0.0308107000000000, 0.0052769500000000, -0.0070203500000000 ] - [ 0.0204479000000000, 0.0015346900000000, 0.0061592400000000 ] - [ -0.0046191800000000, 0.0038703900000000, -0.0005176500000000 ] - [ 0.0041111200000000, 0.0004438500000000, 0.0015200700000000 ] - [ -0.0052885700000000, -0.0011288700000000, -0.0014180800000000 ] - [ 0.0051671100000000, -0.0050461200000000, 0.0009269800000000 ] - [ -0.0012153700000000, 0.0015397500000000, -0.0007316000000000 ] - [ -0.0042903700000000, -0.0006185900000000, -0.0005214600000000 ] - [ 0.0024483400000000, 0.0000375600000000, -0.0006273900000000 ] - [ -0.0004078700000000, -0.0005624600000000, 0.0007187700000000 ] - [ -0.0003903200000000, 0.0001179000000000, 0.0007525600000000 ] - [ 0.0000389100000000, 0.0006102100000000, 0.0007223900000000 ] - [ -0.0007368000000000, -0.0002515300000000, 0.0006786800000000 ] - [ -0.0037269300000000, 0.0021611700000000, -0.0016637000000000 ] - [ 0.0019828100000000, 0.0001193300000000, -0.0006099300000000 ] - [ -0.0019049100000000, 0.0017938600000000, -0.0006488200000000 ] - [ 0.0012754000000000, -0.0020462900000000, 0.0024477400000000 ] - [ -0.0001742700000000, -0.0009250400000000, -0.0011829500000000 ] - [ -0.0001912200000000, -0.0000235000000000, -0.0010278300000000 ] - [ 0.0000058300000000, 0.0006411500000000, -0.0009652300000000 ] - [ -0.0003306800000000, 0.0002063300000000, -0.0013546900000000 ] - [ -0.0016947800000000, -0.0007770700000000, -0.0018947200000000 ] - [ 0.0009420800000000, 0.0020374500000000, 0.0021676000000000 ] - [ -0.0019649700000000, 0.0006513000000000, 0.0045900800000000 ] - [ -0.0018201900000000, 0.0002980200000000, 0.0045537900000000 ] - [ 0.0009028900000000, -0.0002139700000000, -0.0043766300000000 ] - [ 0.0019001000000000, 0.0008894200000000, -0.0047241900000000 ] - [ 0.0009243300000000, 0.0002714400000000, -0.0043855800000000 ] - [ 0.0019044500000000, -0.0009150200000000, -0.0047107900000000 ] - [ -0.0020309700000000, -0.0007157200000000, 0.0046020400000000 ] - [ -0.0017546600000000, -0.0002389200000000, 0.0045340900000000 ] - [ 0.0008383600000000, -0.0034525400000000, 0.0006757600000000 ] - [ 0.0009075700000000, -0.0034569900000000, 0.0006740700000000 ] - [ -0.0015980000000000, -0.0050998200000000, -0.0009598100000000 ] - [ -0.0011076000000000, -0.0023372600000000, -0.0006632600000000 ] - [ -0.0015625700000000, 0.0050492700000000, -0.0009443000000000 ] - [ -0.0012777100000000, 0.0023636200000000, -0.0006782200000000 ] - [ 0.0008316800000000, 0.0033266600000000, 0.0006632600000000 ] - [ 0.0009117800000000, 0.0035958800000000, 0.0006842700000000 ] - [ 0.0015238900000000, -0.0000115200000000, -0.0042443400000000 ] - [ 0.0017535300000000, 0.0005419200000000, -0.0040503100000000 ] - [ -0.0023083600000000, 0.0011040300000000, 0.0034889600000000 ] - [ -0.0017548600000000, -0.0001815300000000, 0.0042156300000000 ] - [ -0.0023344900000000, -0.0010260900000000, 0.0035087100000000 ] - [ -0.0017392700000000, 0.0001527400000000, 0.0042721700000000 ] - [ 0.0015687500000000, -0.0000575100000000, -0.0042014700000000 ] - [ 0.0017098300000000, -0.0004773000000000, -0.0041000500000000 ] - [ -0.0011841100000000, 0.0006214700000000, -0.0007918700000000 ] - [ 0.0001640400000000, 0.0008744000000000, -0.0003720700000000 ] - [ -0.0010466000000000, 0.0011578400000000, 0.0001476900000000 ] - [ -0.0006280600000000, 0.0005145000000000, 0.0002586000000000 ] - [ -0.0011931600000000, -0.0011414400000000, 0.0001098900000000 ] - [ -0.0005221700000000, -0.0005110900000000, 0.0002974800000000 ] - [ -0.0011015900000000, -0.0006441800000000, -0.0007684000000000 ] - [ 0.0000957200000000, -0.0008548100000000, -0.0003912100000000 ] - [ 0.0085673700000000, -0.0074258900000000, -0.0005185700000000 ] - [ -0.0071890600000000, 0.0026504500000000, -0.0012548000000000 ] - [ 0.0053514600000000, -0.0006138500000000, 0.0059968500000000 ] - [ -0.0053574100000000, -0.0030043000000000, -0.0007243600000000 ] - [ -0.0055019100000000, 0.0199240200000000, -0.0025595000000000 ] - [ -0.0004160000000000, -0.0125822600000000, -0.0012001400000000 ] - [ -0.0037736600000000, -0.0033169700000000, 0.0001534000000000 ] - [ 0.0075708500000000, -0.0011321600000000, 0.0030694500000000 ] - [ -0.0153809500000000, 0.0075370800000000, -0.0010918300000000 ] - [ 0.0061229400000000, -0.0038062600000000, 0.0023389200000000 ] - [ -0.0038201600000000, -0.0128143100000000, -0.0030821100000000 ] - [ -0.1064143600000000, 0.2388590200000000, -0.0187247800000000 ] - [ 0.0012073300000000, 0.0009535300000000, -0.0001807300000000 ] - [ 0.0004370800000000, -0.0016281800000000, 0.0003897700000000 ] - [ 0.0003409000000000, -0.0002889200000000, -0.0002764300000000 ] - [ 0.0011164200000000, 0.0016468600000000, 0.0009931100000000 ] - [ 0.0001325100000000, -0.0016512400000000, -0.0010562300000000 ] - [ -0.0006524800000000, -0.0011868400000000, -0.0012035100000000 ] - [ 0.0020442000000000, 0.0002293000000000, 0.0015209300000000 ] - [ 0.0014145400000000, -0.0029112400000000, 0.0013805300000000 ] - [ 0.0018472500000000, -0.0003588000000000, 0.0014906700000000 ] - [ 0.0014945500000000, 0.0029532700000000, 0.0014391000000000 ] - [ 0.0001985300000000, 0.0018113600000000, -0.0010435500000000 ] - [ -0.0007221500000000, 0.0010242600000000, -0.0012193000000000 ] - [ -0.0001899300000000, 0.0000597100000000, -0.0000347500000000 ] - [ 0.0003913300000000, -0.0001732500000000, 0.0000078100000000 ] - [ 0.0003707500000000, 0.0019271400000000, -0.0007607600000000 ] - [ -0.0004572500000000, -0.0012584200000000, 0.0005140700000000 ] - [ -0.0005856700000000, 0.0015346500000000, 0.0006981100000000 ] - [ 0.0004130800000000, -0.0011902400000000, -0.0004404700000000 ] - [ -0.0000445500000000, 0.0000720700000000, -0.0000461300000000 ] - [ 0.0002734600000000, -0.0000440000000000, 0.0001051800000000 ] - [ -0.0038581500000000, 0.0060834600000000, -0.0003681500000000 ] - [ 0.0010536900000000, -0.0045098300000000, 0.0012570900000000 ] - [ -0.0002657800000000, -0.0101722700000000, -0.0011288200000000 ] - [ -0.0083144000000000, 0.0030972400000000, -0.0015645600000000 ] - [ -0.0036837100000000, 0.0455695000000000, -0.0059015600000000 ] - [ -0.0046400900000000, -0.0240279400000000, -0.0021661000000000 ] - [ -0.0036756700000000, -0.0052763900000000, -0.0001301100000000 ] - [ 0.0137355000000000, 0.0056617300000000, 0.0058577800000000 ] - [ 0.0027603700000000, -0.0014220100000000, 0.0017045500000000 ] - [ -0.0021980500000000, 0.0015803100000000, 0.0002660100000000 ] - [ 0.0021910000000000, 0.0009631300000000, -0.0004093800000000 ] - [ 0.0015959800000000, -0.0004232100000000, -0.0004125100000000 ] - [ 0.0018490400000000, -0.0007962400000000, -0.0005091600000000 ] - [ 0.0019328000000000, 0.0002545400000000, -0.0003268300000000 ] - [ 0.0028208400000000, 0.0012241900000000, 0.0018500200000000 ] - [ -0.0023954300000000, -0.0014534500000000, 0.0003952500000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0020025800000000, 0.0014741900000000, -0.0012812200000000 ] - [ -0.0005139100000000, -0.0011614700000000, -0.0005073500000000 ] - [ 0.0138833600000000, -0.0081313600000000, -0.0024009900000000 ] - [ -0.0059268700000000, 0.0006075300000000, 0.0005538500000000 ] - [ 0.0019705900000000, 0.0000394900000000, 0.0025630300000000 ] - [ -0.0051732200000000, -0.0029657300000000, 0.0001219800000000 ] - [ 0.0004927300000000, -0.0004178300000000, -0.0009245300000000 ] - [ -0.0001491800000000, 0.0012478200000000, -0.0003808800000000 ] - [ -0.0000992600000000, 0.0001985200000000, 0.0005513400000000 ] - [ 0.0002342800000000, -0.0009819200000000, 0.0013954500000000 ] - [ 0.0018637100000000, -0.0036670000000000, -0.0019792100000000 ] - [ -0.0032164000000000, 0.0017936000000000, -0.0016657500000000 ] - [ 0.0083427000000000, 0.0000287900000000, 0.0073187900000000 ] - [ -0.0022031300000000, -0.0017958400000000, -0.0016499300000000 ] - [ -0.0003436900000000, 0.0000714300000000, 0.0005329800000000 ] - [ 0.0011339300000000, 0.0005979600000000, 0.0021424000000000 ] - [ -0.0083115300000000, 0.0031442900000000, 0.0143322700000000 ] - [ 0.0000099800000000, -0.0049780000000000, 0.0019985100000000 ] - [ 0.0005188000000000, -0.0011761900000000, -0.0045811000000000 ] - [ 0.0030950100000000, 0.0022087500000000, -0.0031071600000000 ] - [ -0.0013578500000000, 0.0039793400000000, -0.0035905800000000 ] - [ 0.0031117500000000, -0.0028606100000000, -0.0052187600000000 ] - [ -0.0032917500000000, -0.0093720000000000, 0.0020939800000000 ] - [ 0.0002150200000000, -0.0384274900000000, 0.0268223400000000 ] - [ -0.1605231000000000, 0.3881938800000000, -0.0287895600000000 ] - [ 0.0026668900000000, -0.0143900000000000, 0.0010462400000000 ] - [ -0.0048116400000000, -0.0054309400000000, -0.0013532500000000 ] - [ 0.0003957700000000, -0.0054076400000000, -0.0003198800000000 ] - [ -0.0023498100000000, 0.0044858700000000, -0.0011286100000000 ] - [ 0.0006141700000000, 0.0012698900000000, -0.0002437800000000 ] - [ -0.0005977100000000, -0.0053946600000000, 0.0003055600000000 ] - [ 0.0025774800000000, 0.0176325000000000, 0.0011632700000000 ] - [ -0.0021255600000000, -0.0122023600000000, -0.0017872300000000 ] - [ 0.0131120900000000, -0.0377465100000000, -0.0237740900000000 ] - [ -0.0046095100000000, 0.0050521400000000, 0.0020021700000000 ] - [ -0.0007884600000000, -0.0022426400000000, 0.0050961800000000 ] - [ -0.0028367100000000, -0.0020964800000000, 0.0034948800000000 ] - [ 0.0002745700000000, 0.0017437400000000, 0.0038998600000000 ] - [ 0.0026547700000000, 0.0000012700000000, -0.0158800400000000 ] - [ 0.0014554600000000, -0.0061695200000000, -0.0014973200000000 ] - [ -0.0033973100000000, -0.0020491800000000, -0.0014881900000000 ] - [ 0.0308238100000000, -0.0034191900000000, 0.0061623800000000 ] - [ -0.0205386800000000, 0.0000081700000000, -0.0052952700000000 ] - [ 0.0042876300000000, -0.0022687600000000, 0.0013052700000000 ] - [ -0.0044186100000000, -0.0020179800000000, -0.0007254000000000 ] - [ 0.0049662100000000, -0.0004342000000000, 0.0022161900000000 ] - [ -0.0047934000000000, 0.0034179000000000, -0.0017180000000000 ] - [ 0.0015773500000000, -0.0031042500000000, -0.0000470900000000 ] - [ 0.0038705400000000, -0.0001788700000000, -0.0009573400000000 ] - [ -0.0027985700000000, -0.0008073400000000, -0.0008615400000000 ] - [ 0.0007603200000000, -0.0002264400000000, 0.0007624700000000 ] - [ 0.0007480500000000, -0.0009001600000000, 0.0007298000000000 ] - [ 0.0003204500000000, 0.0001765300000000, 0.0007614200000000 ] - [ 0.0010909200000000, 0.0010321100000000, 0.0008026400000000 ] - [ 0.0033407200000000, -0.0013733600000000, 0.0001837600000000 ] - [ -0.0023551800000000, 0.0006888400000000, -0.0008657000000000 ] - [ 0.0015965100000000, -0.0026983500000000, 0.0024717100000000 ] - [ -0.0015037800000000, 0.0011628300000000, -0.0006049600000000 ] - [ 0.0004338400000000, 0.0000248800000000, -0.0006439300000000 ] - [ 0.0004580400000000, -0.0008772900000000, -0.0008066700000000 ] - [ 0.0002612700000000, 0.0002583400000000, -0.0008629400000000 ] - [ 0.0006008900000000, 0.0007181100000000, -0.0004935100000000 ] - [ 0.0014151900000000, 0.0016582700000000, 0.0037077900000000 ] - [ -0.0012012100000000, -0.0011344500000000, -0.0003381500000000 ] - [ -0.0013411100000000, 0.0001599100000000, 0.0045301200000000 ] - [ -0.0014855400000000, 0.0005156200000000, 0.0045681100000000 ] - [ 0.0023938700000000, 0.0010181000000000, -0.0047369100000000 ] - [ 0.0014029000000000, -0.0000702600000000, -0.0043961200000000 ] - [ 0.0023715100000000, -0.0010799500000000, -0.0047342800000000 ] - [ 0.0014040500000000, 0.0001012200000000, -0.0044136100000000 ] - [ -0.0012744000000000, -0.0000967900000000, 0.0045182600000000 ] - [ -0.0015509200000000, -0.0005746100000000, 0.0045844100000000 ] - [ 0.0014346600000000, -0.0037095700000000, 0.0008160400000000 ] - [ 0.0013583400000000, -0.0037130300000000, 0.0008165200000000 ] - [ -0.0006722400000000, -0.0020760800000000, -0.0005317500000000 ] - [ -0.0011665600000000, -0.0048237500000000, -0.0008288400000000 ] - [ -0.0007128400000000, 0.0021203400000000, -0.0005493900000000 ] - [ -0.0009741300000000, 0.0047893000000000, -0.0008085700000000 ] - [ 0.0014394200000000, 0.0038460500000000, 0.0008285500000000 ] - [ 0.0013607800000000, 0.0035716100000000, 0.0008060500000000 ] - [ 0.0021440200000000, 0.0007178700000000, -0.0037842500000000 ] - [ 0.0019134600000000, 0.0001637300000000, -0.0039754800000000 ] - [ -0.0013668100000000, -0.0003953900000000, 0.0045345100000000 ] - [ -0.0019124600000000, 0.0008864600000000, 0.0038184300000000 ] - [ -0.0013373400000000, 0.0003077100000000, 0.0045076200000000 ] - [ -0.0019312600000000, -0.0008509000000000, 0.0037543500000000 ] - [ 0.0020984900000000, -0.0006488700000000, -0.0038273000000000 ] - [ 0.0019583000000000, -0.0002285500000000, -0.0039290100000000 ] - [ 0.0015173600000000, 0.0009557900000000, 0.0000042200000000 ] - [ 0.0001725600000000, 0.0007026300000000, -0.0004136000000000 ] - [ 0.0006883500000000, 0.0004212100000000, 0.0006326800000000 ] - [ 0.0002846500000000, 0.0010612700000000, 0.0005254400000000 ] - [ 0.0008512300000000, -0.0004380800000000, 0.0006745100000000 ] - [ 0.0001705700000000, -0.0010648300000000, 0.0004849900000000 ] - [ 0.0014332000000000, -0.0009337300000000, -0.0000194600000000 ] - [ 0.0002550000000000, -0.0007225700000000, -0.0003909800000000 ] - [ -0.0084666600000000, 0.0063342000000000, 0.0005054900000000 ] - [ 0.0071794900000000, -0.0037374000000000, 0.0012614500000000 ] - [ -0.0053026500000000, 0.0016980200000000, -0.0059807700000000 ] - [ 0.0053643600000000, 0.0040073700000000, 0.0007338400000000 ] - [ 0.0034949900000000, -0.0224178300000000, -0.0000199000000000 ] - [ -0.0015770400000000, 0.0097835500000000, -0.0013926800000000 ] - [ 0.0056978000000000, 0.0005619600000000, 0.0024211000000000 ] - [ -0.0056009400000000, -0.0016553500000000, -0.0004778200000000 ] - [ 0.0172261600000000, -0.0046935200000000, 0.0036668500000000 ] - [ -0.0041588600000000, 0.0065041800000000, 0.0002483900000000 ] - [ 0.0018051800000000, 0.0154548300000000, 0.0004790400000000 ] - [ 0.1145396400000000, -0.2515020800000000, 0.0176865300000000 ] - [ -0.0011912800000000, -0.0019847200000000, 0.0001752100000000 ] - [ -0.0004430100000000, 0.0005777700000000, -0.0003877200000000 ] - [ -0.0003467600000000, 0.0013316800000000, 0.0002745100000000 ] - [ -0.0011027000000000, -0.0005979900000000, -0.0009828400000000 ] - [ -0.0020976500000000, -0.0011053400000000, -0.0015299700000000 ] - [ -0.0013202400000000, -0.0015704800000000, -0.0013836100000000 ] - [ -0.0000752400000000, -0.0029541900000000, 0.0010663200000000 ] - [ 0.0005665400000000, 0.0001433400000000, 0.0012090200000000 ] - [ 0.0001408000000000, 0.0031035600000000, 0.0011000000000000 ] - [ 0.0004741000000000, -0.0001895800000000, 0.0011478300000000 ] - [ -0.0021621700000000, 0.0009460200000000, -0.0015426000000000 ] - [ -0.0012445800000000, 0.0017290800000000, -0.0013671000000000 ] - [ 0.0001876200000000, -0.0000591500000000, 0.0000346300000000 ] - [ -0.0003895100000000, 0.0001721100000000, -0.0000088100000000 ] - [ -0.0004170700000000, -0.0018915600000000, 0.0007228600000000 ] - [ 0.0004581000000000, 0.0012501500000000, -0.0005108200000000 ] - [ 0.0005764700000000, -0.0015242100000000, -0.0006952000000000 ] - [ -0.0004054600000000, 0.0011801700000000, 0.0004377100000000 ] - [ 0.0000431500000000, -0.0000719500000000, 0.0000451200000000 ] - [ -0.0002714200000000, 0.0000433600000000, -0.0001048400000000 ] - [ 0.0021939200000000, -0.0056221700000000, 0.0018597000000000 ] - [ -0.0027355600000000, 0.0048849300000000, 0.0002265500000000 ] - [ 0.0019279900000000, 0.0105476300000000, -0.0003719200000000 ] - [ 0.0099708500000000, -0.0027877300000000, 0.0000724900000000 ] - [ 0.0050106700000000, -0.0426346000000000, 0.0041095100000000 ] - [ 0.0062995000000000, 0.0235555300000000, 0.0006621800000000 ] - [ 0.0019607800000000, 0.0048389700000000, 0.0016031200000000 ] - [ -0.0152079300000000, -0.0060422800000000, -0.0042983200000000 ] - [ -0.0043862300000000, 0.0018368000000000, -0.0001950900000000 ] - [ 0.0005139400000000, -0.0011856600000000, 0.0012121400000000 ] - [ -0.0005116400000000, -0.0005485900000000, -0.0010760300000000 ] - [ 0.0000732900000000, 0.0008345300000000, -0.0010756500000000 ] - [ -0.0001764300000000, 0.0003820400000000, -0.0009794300000000 ] - [ -0.0002571000000000, -0.0006633300000000, -0.0011599500000000 ] - [ -0.0044532900000000, -0.0016076900000000, -0.0003540900000000 ] - [ 0.0007276400000000, 0.0010227800000000, 0.0010997100000000 ]- atom: 25 displacement: [ -0.0030072416887981, 0.0000000000000000, 0.0095371115871188 ] forces: - [ -0.0005740500000000, -0.0006251800000000, -0.0006484100000000 ] - [ -0.0001617700000000, -0.0003725200000000, -0.0007383000000000 ] - [ 0.0005568900000000, -0.0004274100000000, 0.0005264200000000 ] - [ -0.0000371200000000, -0.0008685400000000, 0.0001338200000000 ] - [ -0.0000123100000000, 0.0001451500000000, 0.0010442200000000 ] - [ 0.0004325500000000, 0.0006191600000000, 0.0012741500000000 ] - [ -0.0001683100000000, 0.0003934300000000, -0.0007404900000000 ] - [ -0.0001401700000000, 0.0003395800000000, -0.0007898500000000 ] - [ -0.0001442500000000, -0.0005096800000000, 0.0009804900000000 ] - [ -0.0001226100000000, -0.0004267200000000, 0.0009217400000000 ] - [ 0.0001137000000000, -0.0004651700000000, -0.0009241100000000 ] - [ -0.0005475400000000, -0.0009910400000000, -0.0008705300000000 ] - [ 0.0021928000000000, -0.0013041700000000, 0.0003992100000000 ] - [ 0.0001250200000000, 0.0004770900000000, -0.0010437000000000 ] - [ -0.0001233800000000, 0.0004478000000000, 0.0009186000000000 ] - [ -0.0002978200000000, 0.0004929500000000, 0.0007399000000000 ] - [ -0.0033147300000000, -0.0024867900000000, 0.0086436200000000 ] - [ -0.0019762300000000, 0.0012454200000000, 0.0055049400000000 ] - [ 0.0016699700000000, 0.0004250900000000, -0.0045654500000000 ] - [ 0.0019397200000000, 0.0003984900000000, -0.0048811100000000 ] - [ 0.0015087900000000, -0.0007610200000000, -0.0045056800000000 ] - [ 0.0017610900000000, -0.0003485200000000, -0.0045615100000000 ] - [ -0.0016709200000000, -0.0008169600000000, 0.0042316600000000 ] - [ 0.0015754400000000, -0.0270075300000000, 0.0088611800000000 ] - [ 0.0309773400000000, -0.0237125700000000, -0.0458767300000000 ] - [ 0.0010974000000000, -0.0034018400000000, 0.0008326100000000 ] - [ -0.0010246500000000, -0.0036390200000000, -0.0007300100000000 ] - [ -0.0011140800000000, -0.0030498700000000, -0.0007574400000000 ] - [ -0.0010856800000000, 0.0035809100000000, -0.0007083800000000 ] - [ -0.0010722500000000, 0.0036304200000000, -0.0007146200000000 ] - [ 0.0011452300000000, 0.0036920300000000, 0.0009988700000000 ] - [ -0.0002561800000000, 0.0035378000000000, 0.0051703600000000 ] - [ 0.0019478700000000, 0.0007728400000000, -0.0039901600000000 ] - [ -0.0015588500000000, 0.0256069200000000, -0.0013313100000000 ] - [ -0.0016306800000000, 0.0001278700000000, 0.0038680300000000 ] - [ -0.0017874800000000, 0.0004331800000000, 0.0039873100000000 ] - [ -0.0018081100000000, -0.0003256300000000, 0.0040448000000000 ] - [ -0.0018038200000000, -0.0002684700000000, 0.0043181900000000 ] - [ 0.0009175300000000, 0.0045076700000000, 0.0009386200000000 ] - [ 0.0015223600000000, -0.0013494400000000, -0.0032583100000000 ] - [ 0.0002274900000000, 0.0008062900000000, -0.0003479500000000 ] - [ -0.0046021300000000, 0.0053045300000000, -0.0120228900000000 ] - [ 0.0005301500000000, 0.0009847700000000, -0.0005083900000000 ] - [ 0.0003401300000000, 0.0006143300000000, 0.0000308600000000 ] - [ -0.0001057500000000, -0.0007974100000000, 0.0005080600000000 ] - [ -0.0000417800000000, -0.0007482100000000, 0.0013857100000000 ] - [ 0.0004052200000000, -0.0006561900000000, 0.0010265600000000 ] - [ 0.0002118200000000, -0.0008097200000000, -0.0001867500000000 ] - [ -0.0001891000000000, -0.0003907200000000, -0.0007618000000000 ] - [ -0.0005817600000000, -0.0006615800000000, -0.0007886400000000 ] - [ 0.0000660200000000, -0.0003816100000000, 0.0007518300000000 ] - [ 0.0001564800000000, -0.0003744900000000, 0.0007449000000000 ] - [ 0.0001652900000000, 0.0003879600000000, 0.0007396600000000 ] - [ 0.0001121800000000, 0.0003496100000000, 0.0007210800000000 ] - [ 0.0002180400000000, 0.0000357700000000, -0.0004594100000000 ] - [ -0.0000372600000000, 0.0003345500000000, -0.0007966500000000 ] - [ -0.0001821200000000, -0.0004458000000000, 0.0008747500000000 ] - [ -0.0003453600000000, -0.0004740000000000, 0.0005918600000000 ] - [ 0.0000826100000000, -0.0004945000000000, -0.0009471400000000 ] - [ 0.0001160800000000, -0.0004350600000000, -0.0009220900000000 ] - [ 0.0001260900000000, 0.0004423900000000, -0.0009155500000000 ] - [ 0.0000894400000000, 0.0004442900000000, -0.0009768200000000 ] - [ -0.0000941500000000, 0.0006581400000000, 0.0012705600000000 ] - [ -0.0000197800000000, 0.0005140900000000, 0.0009792400000000 ] - [ -0.0016599000000000, 0.0004008900000000, 0.0045594400000000 ] - [ -0.0016886500000000, 0.0004234700000000, 0.0045648900000000 ] - [ 0.0016619500000000, 0.0004565800000000, -0.0045620600000000 ] - [ 0.0016286700000000, 0.0003691500000000, -0.0045504400000000 ] - [ 0.0016501500000000, -0.0004162500000000, -0.0045749500000000 ] - [ 0.0015940800000000, -0.0003863600000000, -0.0045579900000000 ] - [ -0.0016749500000000, -0.0004101800000000, 0.0045617200000000 ] - [ -0.0016764300000000, -0.0004175100000000, 0.0045636700000000 ] - [ 0.0011230000000000, -0.0035793800000000, 0.0007432900000000 ] - [ 0.0011010600000000, -0.0035621600000000, 0.0007370900000000 ] - [ -0.0011837200000000, -0.0035169500000000, -0.0007607600000000 ] - [ -0.0011550000000000, -0.0036555500000000, -0.0007461300000000 ] - [ -0.0011351000000000, 0.0035182600000000, -0.0007494500000000 ] - [ -0.0012219300000000, 0.0036908900000000, -0.0007564700000000 ] - [ 0.0011226700000000, 0.0035755100000000, 0.0007408400000000 ] - [ 0.0010996900000000, 0.0035723400000000, 0.0007368300000000 ] - [ 0.0018176100000000, 0.0003474300000000, -0.0040263000000000 ] - [ 0.0018140900000000, 0.0003405100000000, -0.0040271500000000 ] - [ -0.0018292100000000, 0.0003306200000000, 0.0040526100000000 ] - [ -0.0018774500000000, 0.0003593400000000, 0.0039917400000000 ] - [ -0.0018273000000000, -0.0003115000000000, 0.0040100900000000 ] - [ -0.0018645500000000, -0.0004079800000000, 0.0039703900000000 ] - [ 0.0018272700000000, -0.0003571100000000, -0.0040182900000000 ] - [ 0.0018045500000000, -0.0003328300000000, -0.0040362900000000 ] - [ 0.0001350500000000, 0.0007925900000000, -0.0004015900000000 ] - [ 0.0000824000000000, 0.0007787800000000, -0.0004172000000000 ] - [ -0.0002018100000000, 0.0007771300000000, 0.0003878700000000 ] - [ -0.0002814100000000, 0.0008044200000000, 0.0003647700000000 ] - [ -0.0002430500000000, -0.0007654200000000, 0.0003720400000000 ] - [ -0.0002345700000000, -0.0008096400000000, 0.0003712600000000 ] - [ 0.0001659200000000, -0.0007901800000000, -0.0003921300000000 ] - [ 0.0000643600000000, -0.0007820600000000, -0.0004226500000000 ] - [ 0.0002805100000000, -0.0006175100000000, 0.0000228300000000 ] - [ 0.0009870200000000, 0.0001552800000000, 0.0008276200000000 ] - [ -0.0001439800000000, 0.0011215000000000, -0.0015826500000000 ] - [ -0.0005765700000000, 0.0002372600000000, 0.0001133900000000 ] - [ 0.0011060700000000, -0.0017716000000000, -0.0101945400000000 ] - [ -0.0008808100000000, -0.0013094500000000, -0.0027140200000000 ] - [ 0.0008904500000000, -0.0014319100000000, 0.0012575300000000 ] - [ 0.0004988800000000, -0.0016090700000000, 0.0009199900000000 ] - [ 0.0004276300000000, 0.0018488100000000, 0.0016240900000000 ] - [ 0.0004936200000000, 0.0009322600000000, 0.0012768400000000 ] - [ -0.0009479200000000, 0.0013537100000000, -0.0015755100000000 ] - [ -0.0292308900000000, 0.0233665900000000, 0.0436458200000000 ] - [ 0.0001967200000000, -0.0003757200000000, -0.0000308100000000 ] - [ 0.0000091700000000, -0.0005667200000000, -0.0000022100000000 ] - [ 0.0000012700000000, 0.0005321300000000, 0.0000000800000000 ] - [ 0.0000740900000000, 0.0006166200000000, 0.0001325400000000 ] - [ -0.0009650500000000, -0.0013639200000000, -0.0012859500000000 ] - [ -0.0008782200000000, -0.0013953100000000, -0.0012688800000000 ] - [ 0.0010541000000000, -0.0015204500000000, 0.0013090900000000 ] - [ 0.0010319100000000, -0.0012842000000000, 0.0013283500000000 ] - [ 0.0010307100000000, 0.0014396100000000, 0.0012833500000000 ] - [ 0.0011199700000000, 0.0013213800000000, 0.0013203500000000 ] - [ -0.0009388200000000, 0.0013824000000000, -0.0012837000000000 ] - [ -0.0008954600000000, 0.0013823800000000, -0.0012756200000000 ] - [ -0.0000056100000000, 0.0000110800000000, 0.0000049700000000 ] - [ 0.0000301600000000, -0.0000236800000000, -0.0000081600000000 ] - [ -0.0000995400000000, -0.0002562000000000, 0.0003923300000000 ] - [ -0.0000034500000000, 0.0000073000000000, -0.0000001500000000 ] - [ 0.0002201800000000, -0.0002700600000000, -0.0000945200000000 ] - [ 0.0000137800000000, 0.0000011200000000, -0.0000035700000000 ] - [ 0.0000036400000000, 0.0000123100000000, -0.0000033200000000 ] - [ 0.0000022300000000, -0.0000089600000000, 0.0000053400000000 ] - [ -0.0013432900000000, 0.0003513200000000, 0.0002235000000000 ] - [ -0.0009179800000000, 0.0001683600000000, 0.0007010800000000 ] - [ 0.0010504700000000, -0.0003342600000000, -0.0016937300000000 ] - [ 0.0057017800000000, 0.0013226000000000, -0.0133032500000000 ] - [ -0.0015331400000000, -0.0048141800000000, 0.0067485500000000 ] - [ -0.0002809000000000, -0.0005738200000000, 0.0043105100000000 ] - [ -0.0009017300000000, -0.0002373300000000, 0.0007224500000000 ] - [ 0.0009421100000000, -0.0000047100000000, 0.0014561900000000 ] - [ -0.0009656000000000, 0.0003074600000000, 0.0008067700000000 ] - [ -0.0006106900000000, 0.0002927500000000, 0.0008956500000000 ] - [ 0.0009532800000000, 0.0002101400000000, -0.0007040200000000 ] - [ 0.0009111900000000, 0.0002098500000000, -0.0007138700000000 ] - [ 0.0008806000000000, -0.0001958100000000, -0.0007313800000000 ] - [ 0.0009885800000000, -0.0002339200000000, -0.0006974800000000 ] - [ -0.0007975800000000, -0.0003204800000000, 0.0007144400000000 ] - [ -0.0006189600000000, -0.0000249400000000, 0.0007013200000000 ]- atom: 25 displacement: [ 0.0030072416887981, 0.0000000000000000, -0.0095371115871188 ] forces: - [ 0.0002013800000000, -0.0001676900000000, -0.0008306400000000 ] - [ -0.0001943600000000, -0.0004059600000000, -0.0007448600000000 ] - [ -0.0001841800000000, -0.0003661300000000, 0.0009505700000000 ] - [ 0.0004110200000000, 0.0000770200000000, 0.0013417700000000 ] - [ 0.0003738000000000, 0.0006417400000000, 0.0004418400000000 ] - [ -0.0000735600000000, 0.0001625600000000, 0.0002126700000000 ] - [ -0.0001909800000000, 0.0003941600000000, -0.0007386300000000 ] - [ -0.0002203700000000, 0.0004378700000000, -0.0006932400000000 ] - [ -0.0001188300000000, -0.0003874500000000, 0.0008532000000000 ] - [ -0.0001432400000000, -0.0004813500000000, 0.0009166400000000 ] - [ 0.0001425400000000, -0.0004356300000000, -0.0009106700000000 ] - [ 0.0008129100000000, 0.0000699700000000, -0.0009659200000000 ] - [ -0.0019550200000000, 0.0022356100000000, -0.0022477600000000 ] - [ 0.0001402700000000, 0.0004307100000000, -0.0007947000000000 ] - [ -0.0001374700000000, 0.0004580400000000, 0.0009155000000000 ] - [ 0.0000179300000000, 0.0004230000000000, 0.0010986600000000 ] - [ 0.0000225000000000, 0.0033535800000000, 0.0004602300000000 ] - [ -0.0013238400000000, -0.0004317300000000, 0.0036158900000000 ] - [ 0.0016381100000000, 0.0003963300000000, -0.0045565200000000 ] - [ 0.0013653300000000, 0.0004089200000000, -0.0042465500000000 ] - [ 0.0017942700000000, -0.0000616800000000, -0.0046113400000000 ] - [ 0.0015433000000000, -0.0004575600000000, -0.0045602100000000 ] - [ -0.0016312900000000, -0.0000003200000000, 0.0048855300000000 ] - [ -0.0048550400000000, 0.0260017900000000, 0.0002453100000000 ] - [ -0.0276502900000000, 0.0154235100000000, 0.0471155600000000 ] - [ 0.0011754800000000, -0.0037548400000000, 0.0006600100000000 ] - [ -0.0012452500000000, -0.0035323100000000, -0.0007614100000000 ] - [ -0.0011641200000000, -0.0041097300000000, -0.0007351400000000 ] - [ -0.0011843500000000, 0.0035832600000000, -0.0007818700000000 ] - [ -0.0011969600000000, 0.0035397800000000, -0.0007764400000000 ] - [ 0.0011294300000000, 0.0034906300000000, 0.0004947200000000 ] - [ 0.0025331700000000, 0.0036125200000000, -0.0036722500000000 ] - [ 0.0017198000000000, -0.0000761000000000, -0.0040312900000000 ] - [ 0.0052130300000000, -0.0251629000000000, -0.0066966500000000 ] - [ -0.0020374200000000, 0.0005657600000000, 0.0041564200000000 ] - [ -0.0018833300000000, 0.0002804300000000, 0.0040399400000000 ] - [ -0.0018583100000000, -0.0003709700000000, 0.0039867600000000 ] - [ -0.0018723000000000, -0.0004454000000000, 0.0037128900000000 ] - [ 0.0027400300000000, -0.0051453000000000, -0.0089371100000000 ] - [ 0.0021510900000000, 0.0006468500000000, -0.0047676900000000 ] - [ 0.0001239700000000, 0.0007734500000000, -0.0004342900000000 ] - [ 0.0048616500000000, -0.0036577800000000, 0.0112849100000000 ] - [ -0.0008722400000000, 0.0005906900000000, 0.0012925700000000 ] - [ -0.0006823000000000, 0.0009717200000000, 0.0007556000000000 ] - [ -0.0002369300000000, -0.0007760600000000, 0.0002775600000000 ] - [ -0.0002913700000000, -0.0008316800000000, -0.0005985700000000 ] - [ -0.0000335100000000, -0.0009218900000000, -0.0017989100000000 ] - [ 0.0001402500000000, -0.0007632300000000, -0.0005946700000000 ] - [ -0.0001703100000000, -0.0003908900000000, -0.0007229200000000 ] - [ 0.0002170000000000, -0.0001263300000000, -0.0006968700000000 ] - [ 0.0002912700000000, -0.0004034000000000, 0.0007292600000000 ] - [ 0.0002002000000000, -0.0004046600000000, 0.0007378500000000 ] - [ 0.0001917900000000, 0.0003945700000000, 0.0007435700000000 ] - [ 0.0002447400000000, 0.0004288700000000, 0.0007618300000000 ] - [ -0.0005882600000000, 0.0007565000000000, -0.0010164600000000 ] - [ -0.0003263600000000, 0.0004581700000000, -0.0006817600000000 ] - [ -0.0000829000000000, -0.0004599100000000, 0.0009626000000000 ] - [ 0.0000876800000000, -0.0004440800000000, 0.0012533600000000 ] - [ 0.0001790400000000, -0.0004075900000000, -0.0008841000000000 ] - [ 0.0001568900000000, -0.0004833600000000, -0.0009229500000000 ] - [ 0.0001388300000000, 0.0004569500000000, -0.0009150300000000 ] - [ 0.0001714100000000, 0.0004629700000000, -0.0008654500000000 ] - [ -0.0001763900000000, 0.0002541200000000, 0.0005676500000000 ] - [ -0.0002350100000000, 0.0003892200000000, 0.0008571900000000 ] - [ -0.0016458100000000, 0.0004105700000000, 0.0045635800000000 ] - [ -0.0016186300000000, 0.0003915400000000, 0.0045594600000000 ] - [ 0.0016389700000000, 0.0003582200000000, -0.0045564400000000 ] - [ 0.0016737700000000, 0.0004448800000000, -0.0045713900000000 ] - [ 0.0016517300000000, -0.0003953700000000, -0.0045475000000000 ] - [ 0.0017112200000000, -0.0004285000000000, -0.0045664400000000 ] - [ -0.0016294100000000, -0.0004006100000000, 0.0045606100000000 ] - [ -0.0016306700000000, -0.0003994800000000, 0.0045580700000000 ] - [ 0.0011514000000000, -0.0035810000000000, 0.0007489700000000 ] - [ 0.0011661200000000, -0.0036104900000000, 0.0007545100000000 ] - [ -0.0010905900000000, -0.0036497200000000, -0.0007304300000000 ] - [ -0.0011184300000000, -0.0035168000000000, -0.0007459500000000 ] - [ -0.0011387600000000, 0.0036423600000000, -0.0007426900000000 ] - [ -0.0010457700000000, 0.0034763000000000, -0.0007347900000000 ] - [ 0.0011506600000000, 0.0036022200000000, 0.0007521400000000 ] - [ 0.0011734100000000, 0.0035941700000000, 0.0007541000000000 ] - [ 0.0018521700000000, 0.0003611200000000, -0.0040014300000000 ] - [ 0.0018532900000000, 0.0003615500000000, -0.0040001100000000 ] - [ -0.0018434000000000, 0.0003761200000000, 0.0039748100000000 ] - [ -0.0017917200000000, 0.0003437900000000, 0.0040410800000000 ] - [ -0.0018443300000000, -0.0003941500000000, 0.0040126900000000 ] - [ -0.0018072700000000, -0.0002970200000000, 0.0040566300000000 ] - [ 0.0018417500000000, -0.0003492900000000, -0.0040108900000000 ] - [ 0.0018637900000000, -0.0003711400000000, -0.0039936200000000 ] - [ 0.0002050500000000, 0.0007878400000000, -0.0003838900000000 ] - [ 0.0002559600000000, 0.0007971600000000, -0.0003682000000000 ] - [ -0.0001532100000000, 0.0008006800000000, 0.0003938000000000 ] - [ -0.0000692300000000, 0.0007736100000000, 0.0004185000000000 ] - [ -0.0001041500000000, -0.0008100200000000, 0.0004122400000000 ] - [ -0.0001190100000000, -0.0007699100000000, 0.0004113400000000 ] - [ 0.0001741600000000, -0.0007877700000000, -0.0003931800000000 ] - [ 0.0002830200000000, -0.0007964800000000, -0.0003605800000000 ] - [ -0.0002822200000000, -0.0004202500000000, -0.0000230100000000 ] - [ -0.0009850400000000, -0.0011812600000000, -0.0008150700000000 ] - [ 0.0001446600000000, -0.0000857800000000, 0.0015816500000000 ] - [ 0.0005787100000000, 0.0008001000000000, -0.0001117200000000 ] - [ -0.0031061500000000, -0.0010112500000000, 0.0075925000000000 ] - [ -0.0011001500000000, -0.0014524200000000, 0.0001253100000000 ] - [ 0.0010725900000000, -0.0013301900000000, 0.0013287900000000 ] - [ 0.0014687800000000, -0.0011445000000000, 0.0016676200000000 ] - [ 0.0015387500000000, 0.0009175000000000, 0.0009625400000000 ] - [ 0.0014796900000000, 0.0018103900000000, 0.0013134200000000 ] - [ -0.0010267400000000, 0.0013985300000000, -0.0010114700000000 ] - [ 0.0262551200000000, -0.0189284100000000, -0.0461457100000000 ] - [ -0.0001895200000000, -0.0006683900000000, 0.0000270400000000 ] - [ -0.0000073400000000, -0.0004795400000000, 0.0000103400000000 ] - [ -0.0000012200000000, 0.0005142500000000, 0.0000010200000000 ] - [ -0.0000702100000000, 0.0004337900000000, -0.0001333000000000 ] - [ -0.0010058500000000, -0.0013939500000000, -0.0013016400000000 ] - [ -0.0010911300000000, -0.0013618900000000, -0.0013182000000000 ] - [ 0.0009222000000000, -0.0012309100000000, 0.0012810900000000 ] - [ 0.0009456900000000, -0.0014684200000000, 0.0012624100000000 ] - [ 0.0009507600000000, 0.0013144800000000, 0.0013081900000000 ] - [ 0.0008551300000000, 0.0014378900000000, 0.0012685100000000 ] - [ -0.0010287500000000, 0.0013695100000000, -0.0013037100000000 ] - [ -0.0010704300000000, 0.0013758900000000, -0.0013112300000000 ] - [ 0.0000050800000000, -0.0000113400000000, -0.0000043600000000 ] - [ -0.0000298900000000, 0.0000246200000000, 0.0000089300000000 ] - [ 0.0001201800000000, 0.0002589800000000, -0.0003830900000000 ] - [ 0.0000034600000000, -0.0000080100000000, -0.0000004700000000 ] - [ -0.0002159600000000, 0.0002709200000000, 0.0000946500000000 ] - [ -0.0000133500000000, -0.0000016700000000, 0.0000036100000000 ] - [ -0.0000054300000000, -0.0000144600000000, 0.0000040200000000 ] - [ -0.0000000800000000, 0.0000107400000000, -0.0000054800000000 ] - [ -0.0003423100000000, 0.0000716300000000, 0.0012606400000000 ] - [ -0.0007518500000000, 0.0002344300000000, 0.0007842300000000 ] - [ 0.0006136400000000, 0.0007195000000000, 0.0002012500000000 ] - [ -0.0040745800000000, -0.0008589200000000, 0.0118165300000000 ] - [ 0.0032027300000000, 0.0040890100000000, -0.0082017800000000 ] - [ 0.0019224400000000, 0.0001419200000000, -0.0058140100000000 ] - [ -0.0007724200000000, -0.0001795700000000, 0.0007626300000000 ] - [ -0.0025443600000000, -0.0003955600000000, 0.0000585200000000 ] - [ -0.0006858300000000, 0.0001029100000000, 0.0006869100000000 ] - [ -0.0010500600000000, 0.0001209400000000, 0.0005956600000000 ] - [ 0.0007228200000000, 0.0001983400000000, -0.0007799800000000 ] - [ 0.0007575500000000, 0.0002079800000000, -0.0007724800000000 ] - [ 0.0007899300000000, -0.0002165400000000, -0.0007557200000000 ] - [ 0.0006861800000000, -0.0001754700000000, -0.0007860800000000 ] - [ -0.0008550100000000, -0.0000939300000000, 0.0007801100000000 ] - [ -0.0010402900000000, -0.0003833600000000, 0.0007902100000000 ]- atom: 33 displacement: [ 0.0099999367125711, 0.0000000000000000, -0.0000355773041697 ] forces: - [ 0.0000315100000000, -0.0004690700000000, -0.0006863700000000 ] - [ 0.0018656200000000, 0.0007753900000000, -0.0009748900000000 ] - [ 0.0037664400000000, 0.0001887800000000, -0.0021563900000000 ] - [ -0.0000981600000000, -0.0003095600000000, 0.0005890300000000 ] - [ 0.0013539900000000, 0.0036144100000000, 0.0051517600000000 ] - [ -0.0005565000000000, -0.0000080400000000, 0.0008928100000000 ] - [ 0.0007604000000000, 0.0003004400000000, -0.0005214200000000 ] - [ 0.0002028800000000, 0.0001940000000000, -0.0007520200000000 ] - [ 0.0001126100000000, -0.0007313500000000, 0.0011835400000000 ] - [ 0.0004105400000000, -0.0000651700000000, 0.0010121700000000 ] - [ -0.0006460700000000, -0.0008941800000000, -0.0021279200000000 ] - [ -0.0001535800000000, -0.0002741600000000, -0.0010809800000000 ] - [ 0.0007693700000000, 0.0013881400000000, -0.0008250300000000 ] - [ -0.0001576800000000, -0.0002599600000000, -0.0006904700000000 ] - [ 0.0010127400000000, 0.0002572500000000, 0.0018442000000000 ] - [ 0.0000153500000000, 0.0005423800000000, 0.0010470400000000 ] - [ -0.0034311800000000, -0.0019852500000000, 0.0039000200000000 ] - [ -0.0026796600000000, 0.0010476000000000, 0.0049138700000000 ] - [ 0.0022984400000000, 0.0006954000000000, -0.0034076400000000 ] - [ 0.0013914100000000, 0.0004092700000000, -0.0046367300000000 ] - [ 0.0015070500000000, -0.0011278200000000, -0.0047515300000000 ] - [ 0.0017900500000000, 0.0011463400000000, -0.0047346800000000 ] - [ -0.0106718300000000, -0.0008036800000000, -0.0107450500000000 ] - [ -0.0020796200000000, -0.0000424900000000, 0.0041550200000000 ] - [ -0.0000711700000000, 0.0004057300000000, 0.0004843500000000 ] - [ -0.0061241800000000, -0.0148208600000000, -0.0051321300000000 ] - [ -0.0012922300000000, -0.0063608500000000, -0.0005810400000000 ] - [ -0.0012388200000000, -0.0025391100000000, -0.0007269200000000 ] - [ -0.0001721300000000, 0.0014584700000000, -0.0004059000000000 ] - [ -0.0014923900000000, 0.0045865100000000, -0.0008313100000000 ] - [ -0.0003506400000000, 0.0044444400000000, -0.0006966600000000 ] - [ 0.0005971900000000, 0.0031914100000000, 0.0002427600000000 ] - [ -0.0678063900000000, -0.0284978800000000, -0.0238208800000000 ] - [ 0.0012186900000000, 0.0006003000000000, -0.0038593600000000 ] - [ -0.0019367200000000, -0.0003932900000000, 0.0042402800000000 ] - [ -0.0019388600000000, 0.0020191200000000, 0.0042600000000000 ] - [ -0.0006815900000000, -0.0000003300000000, 0.0034627200000000 ] - [ -0.0020760300000000, -0.0004110400000000, 0.0039543400000000 ] - [ 0.0014935900000000, -0.0003101800000000, -0.0067870600000000 ] - [ 0.0013623400000000, 0.0002696400000000, -0.0049580000000000 ] - [ 0.0185192300000000, 0.0185775000000000, 0.0256340800000000 ] - [ -0.0015529100000000, 0.0008633700000000, -0.0008237500000000 ] - [ -0.0037856200000000, -0.0013082900000000, 0.0003810300000000 ] - [ -0.0026045000000000, 0.0014971900000000, -0.0002587800000000 ] - [ 0.0041027600000000, -0.0018541700000000, -0.0044227400000000 ] - [ -0.0014409500000000, -0.0007126500000000, 0.0000234500000000 ] - [ -0.0014781100000000, -0.0007992200000000, -0.0009721100000000 ] - [ -0.0016091000000000, -0.0001370900000000, -0.0009755900000000 ] - [ 0.0015387400000000, -0.0001379200000000, -0.0008960100000000 ] - [ 0.0000177400000000, -0.0003342000000000, -0.0007675800000000 ] - [ 0.0007957200000000, -0.0007044600000000, 0.0007606700000000 ] - [ 0.0012510100000000, -0.0006385500000000, 0.0007572700000000 ] - [ 0.0012457100000000, 0.0008312700000000, 0.0008251600000000 ] - [ 0.0007180700000000, 0.0005791200000000, 0.0007677600000000 ] - [ 0.0011044800000000, 0.0002503000000000, -0.0005946300000000 ] - [ 0.0001051100000000, 0.0001085000000000, -0.0006810100000000 ] - [ 0.0008966000000000, -0.0006169500000000, 0.0009922500000000 ] - [ 0.0000035900000000, -0.0002258700000000, 0.0008595600000000 ] - [ 0.0005153600000000, -0.0006828400000000, -0.0007428000000000 ] - [ 0.0007026300000000, -0.0002457000000000, -0.0005160900000000 ] - [ 0.0007335900000000, 0.0004452000000000, -0.0003915700000000 ] - [ 0.0004392900000000, 0.0005432800000000, -0.0007597400000000 ] - [ 0.0007891800000000, 0.0012578500000000, 0.0016178800000000 ] - [ 0.0000335900000000, 0.0001219300000000, 0.0010421000000000 ] - [ -0.0012149700000000, 0.0002468900000000, 0.0045324700000000 ] - [ -0.0013644500000000, 0.0003668400000000, 0.0045686700000000 ] - [ 0.0021336400000000, 0.0006630300000000, -0.0046108300000000 ] - [ 0.0019358000000000, 0.0003738900000000, -0.0045252800000000 ] - [ 0.0021833800000000, -0.0006417100000000, -0.0046415000000000 ] - [ 0.0019129300000000, -0.0004135700000000, -0.0045535400000000 ] - [ -0.0013021400000000, -0.0003296400000000, 0.0045580000000000 ] - [ -0.0012817800000000, -0.0002839400000000, 0.0045490100000000 ] - [ 0.0016037100000000, -0.0038870500000000, 0.0008748300000000 ] - [ 0.0014712700000000, -0.0036604700000000, 0.0008305100000000 ] - [ -0.0007441900000000, -0.0031123000000000, -0.0006147200000000 ] - [ -0.0007731700000000, -0.0036588000000000, -0.0006755800000000 ] - [ -0.0005620500000000, 0.0030831200000000, -0.0005559400000000 ] - [ -0.0008176600000000, 0.0036743000000000, -0.0006747100000000 ] - [ 0.0015905100000000, 0.0037053600000000, 0.0008574700000000 ] - [ 0.0015019600000000, 0.0038429900000000, 0.0008531000000000 ] - [ 0.0021260000000000, 0.0004506400000000, -0.0038317800000000 ] - [ 0.0021255900000000, 0.0005071900000000, -0.0038080500000000 ] - [ -0.0014571800000000, 0.0000885300000000, 0.0043441400000000 ] - [ -0.0016012100000000, 0.0003226300000000, 0.0041572400000000 ] - [ -0.0014703800000000, -0.0000575400000000, 0.0042957900000000 ] - [ -0.0015484500000000, -0.0003829400000000, 0.0041535700000000 ] - [ 0.0021812500000000, -0.0005407900000000, -0.0037684500000000 ] - [ 0.0020756400000000, -0.0004168400000000, -0.0038643900000000 ] - [ 0.0013514400000000, 0.0008514500000000, -0.0000613800000000 ] - [ 0.0010907100000000, 0.0008529400000000, -0.0001400400000000 ] - [ 0.0009977700000000, 0.0006555100000000, 0.0007163900000000 ] - [ 0.0007074100000000, 0.0007890100000000, 0.0006355200000000 ] - [ 0.0008568600000000, -0.0006667500000000, 0.0006752300000000 ] - [ 0.0008990100000000, -0.0008000900000000, 0.0006874300000000 ] - [ 0.0014490800000000, -0.0008831200000000, -0.0000328600000000 ] - [ 0.0010335600000000, -0.0008192400000000, -0.0001553600000000 ] - [ -0.0037112600000000, 0.0017325900000000, 0.0015386300000000 ] - [ 0.0001186900000000, -0.0007735100000000, 0.0001483200000000 ] - [ -0.0033388000000000, -0.0017814300000000, -0.0000953200000000 ] - [ 0.0002242800000000, 0.0015004400000000, -0.0004976100000000 ] - [ 0.0006964900000000, -0.0018094600000000, 0.0008391100000000 ] - [ 0.0013635700000000, -0.0032280500000000, -0.0002141000000000 ] - [ -0.0024773400000000, -0.0000244300000000, 0.0005756800000000 ] - [ 0.0022667600000000, -0.0019045400000000, 0.0015828700000000 ] - [ 0.0021775300000000, 0.0041133700000000, 0.0012444800000000 ] - [ 0.0024717300000000, -0.0016885000000000, 0.0015115100000000 ] - [ 0.0543568500000000, 0.0191424200000000, 0.0219265800000000 ] - [ 0.0014853200000000, -0.0000173900000000, -0.0007298000000000 ] - [ -0.0006586300000000, -0.0000768000000000, -0.0002591600000000 ] - [ -0.0018160700000000, -0.0012358600000000, -0.0001773300000000 ] - [ -0.0016198400000000, 0.0003176300000000, -0.0007556400000000 ] - [ -0.0006276900000000, 0.0004524600000000, -0.0001457900000000 ] - [ -0.0022864500000000, -0.0011937700000000, -0.0015782400000000 ] - [ -0.0019317200000000, -0.0014463200000000, -0.0015128000000000 ] - [ -0.0001237300000000, -0.0018112700000000, 0.0010487200000000 ] - [ -0.0002163800000000, -0.0010040400000000, 0.0010068100000000 ] - [ -0.0002501300000000, 0.0018079000000000, 0.0010356600000000 ] - [ 0.0000121400000000, 0.0011442200000000, 0.0010688000000000 ] - [ -0.0022012300000000, 0.0014136000000000, -0.0015600000000000 ] - [ -0.0019845400000000, 0.0012207200000000, -0.0015233200000000 ] - [ -0.0003000700000000, 0.0001944700000000, 0.0000242900000000 ] - [ -0.0000953800000000, -0.0000687700000000, -0.0000625500000000 ] - [ -0.0001594600000000, -0.0002900800000000, 0.0001251800000000 ] - [ -0.0003811800000000, 0.0003721200000000, -0.0001167100000000 ] - [ 0.0001380100000000, -0.0002540200000000, -0.0000905100000000 ] - [ -0.0000321600000000, 0.0001980800000000, 0.0000294700000000 ] - [ -0.0002026500000000, 0.0000673200000000, -0.0000972700000000 ] - [ -0.0001593700000000, -0.0001386000000000, 0.0000193300000000 ] - [ -0.0004990300000000, 0.0019871200000000, 0.0009226400000000 ] - [ -0.0012602100000000, -0.0021325100000000, 0.0007181600000000 ] - [ 0.0116310000000000, 0.0015254100000000, 0.0000527000000000 ] - [ 0.0026773400000000, -0.0001196500000000, -0.0001508500000000 ] - [ 0.0136084800000000, -0.0007405400000000, -0.0007823700000000 ] - [ 0.0037284100000000, 0.0015060800000000, 0.0000822400000000 ] - [ -0.0117472000000000, -0.0005113400000000, -0.0030505100000000 ] - [ -0.0001253600000000, -0.0001566400000000, 0.0009714200000000 ] - [ -0.0032620500000000, 0.0003990500000000, -0.0000674800000000 ] - [ -0.0018909400000000, 0.0001473400000000, 0.0004282100000000 ] - [ -0.0006253600000000, 0.0002250400000000, -0.0012272100000000 ] - [ -0.0009332400000000, 0.0000094300000000, -0.0012729400000000 ] - [ -0.0010606500000000, -0.0000157800000000, -0.0013465000000000 ] - [ -0.0004790900000000, -0.0002053500000000, -0.0011354000000000 ] - [ -0.0029869500000000, -0.0006942800000000, 0.0000893000000000 ] - [ -0.0019482700000000, 0.0000182400000000, 0.0003819400000000 ]- atom: 33 displacement: [ -0.0099999367125711, 0.0000000000000000, 0.0000355773041697 ] forces: - [ -0.0003740100000000, -0.0003155300000000, -0.0007963500000000 ] - [ -0.0022000400000000, -0.0015518700000000, -0.0005096700000000 ] - [ -0.0034748800000000, -0.0009964300000000, 0.0036926600000000 ] - [ 0.0004528500000000, -0.0004811900000000, 0.0008884000000000 ] - [ -0.0010094200000000, -0.0028540300000000, -0.0037117200000000 ] - [ 0.0009005300000000, 0.0007898300000000, 0.0005920600000000 ] - [ -0.0011001300000000, 0.0004839900000000, -0.0009607500000000 ] - [ -0.0005426100000000, 0.0005829000000000, -0.0007314600000000 ] - [ -0.0003714600000000, -0.0001791400000000, 0.0006562600000000 ] - [ -0.0006582700000000, -0.0008357600000000, 0.0008264800000000 ] - [ 0.0009050700000000, -0.0000058100000000, 0.0002976400000000 ] - [ 0.0004157400000000, -0.0006442100000000, -0.0007603500000000 ] - [ -0.0005197000000000, -0.0004731900000000, -0.0010234200000000 ] - [ 0.0004272300000000, 0.0011820600000000, -0.0011502900000000 ] - [ -0.0012668400000000, 0.0006652300000000, 0.0000049800000000 ] - [ -0.0002828100000000, 0.0003785300000000, 0.0007983900000000 ] - [ 0.0001084100000000, 0.0028054900000000, 0.0052254600000000 ] - [ -0.0006390000000000, -0.0002321500000000, 0.0042184900000000 ] - [ 0.0010257700000000, 0.0001382300000000, -0.0057224400000000 ] - [ 0.0019216100000000, 0.0004067300000000, -0.0044907700000000 ] - [ 0.0018085800000000, 0.0003037600000000, -0.0043771500000000 ] - [ 0.0015235200000000, -0.0019612900000000, -0.0043963000000000 ] - [ 0.0074535000000000, -0.0000466900000000, 0.0197118300000000 ] - [ -0.0012355800000000, -0.0007844500000000, 0.0049721100000000 ] - [ 0.0023317900000000, -0.0075792500000000, 0.0010024000000000 ] - [ 0.0084267900000000, 0.0076233600000000, 0.0065754700000000 ] - [ -0.0009731900000000, -0.0008062600000000, -0.0009071500000000 ] - [ -0.0010328300000000, -0.0046281200000000, -0.0007618300000000 ] - [ -0.0020887900000000, 0.0056965500000000, -0.0010784600000000 ] - [ -0.0007751400000000, 0.0025757200000000, -0.0006571500000000 ] - [ 0.0026120600000000, 0.0027202700000000, 0.0021846500000000 ] - [ 0.0016696600000000, 0.0039699200000000, 0.0012442900000000 ] - [ 0.0716322800000000, 0.0295045000000000, 0.0162636400000000 ] - [ 0.0024381300000000, 0.0000910300000000, -0.0041794600000000 ] - [ -0.0017210900000000, 0.0010872200000000, 0.0038020400000000 ] - [ -0.0017227100000000, -0.0013117200000000, 0.0037822400000000 ] - [ -0.0029745900000000, -0.0006906200000000, 0.0045811400000000 ] - [ -0.0015850000000000, -0.0002941500000000, 0.0040841200000000 ] - [ 0.0021625900000000, -0.0003767400000000, -0.0012573900000000 ] - [ 0.0022973900000000, -0.0009759300000000, -0.0030900800000000 ] - [ -0.0179027100000000, -0.0167262200000000, -0.0260612000000000 ] - [ 0.0019013700000000, 0.0007119200000000, 0.0000413800000000 ] - [ 0.0034347200000000, 0.0028790100000000, 0.0004115200000000 ] - [ 0.0022330100000000, 0.0000824600000000, 0.0010355100000000 ] - [ -0.0043614400000000, 0.0002632600000000, 0.0051216800000000 ] - [ 0.0010845200000000, -0.0008686100000000, 0.0007571600000000 ] - [ 0.0018312400000000, -0.0007825300000000, 0.0001889600000000 ] - [ 0.0019554200000000, -0.0014388900000000, 0.0001916000000000 ] - [ -0.0018890900000000, -0.0006426600000000, -0.0005861900000000 ] - [ -0.0003535100000000, -0.0004468000000000, -0.0007185300000000 ] - [ -0.0004563100000000, -0.0000778600000000, 0.0007228600000000 ] - [ -0.0009119500000000, -0.0001397800000000, 0.0007261000000000 ] - [ -0.0009077000000000, -0.0000500900000000, 0.0006587500000000 ] - [ -0.0003800100000000, 0.0001993100000000, 0.0007163000000000 ] - [ -0.0014489900000000, 0.0005321100000000, -0.0008853200000000 ] - [ -0.0004424500000000, 0.0006769400000000, -0.0008005400000000 ] - [ -0.0011643600000000, -0.0003000500000000, 0.0008539700000000 ] - [ -0.0002519500000000, -0.0006961800000000, 0.0009907100000000 ] - [ -0.0002584900000000, -0.0002364200000000, -0.0011028300000000 ] - [ -0.0004365200000000, -0.0006781500000000, -0.0013322600000000 ] - [ -0.0004726200000000, 0.0004676700000000, -0.0014467500000000 ] - [ -0.0001940700000000, 0.0003558200000000, -0.0010812000000000 ] - [ -0.0010476600000000, -0.0003457100000000, 0.0002253700000000 ] - [ -0.0002807900000000, 0.0007880600000000, 0.0008007400000000 ] - [ -0.0021019200000000, 0.0005728600000000, 0.0045964500000000 ] - [ -0.0019523100000000, 0.0004542700000000, 0.0045611000000000 ] - [ 0.0011807900000000, 0.0001581400000000, -0.0045161300000000 ] - [ 0.0013804200000000, 0.0004484500000000, -0.0046034600000000 ] - [ 0.0011303000000000, -0.0001770600000000, -0.0044877000000000 ] - [ 0.0014058000000000, -0.0004091900000000, -0.0045777800000000 ] - [ -0.0020139100000000, -0.0004892600000000, 0.0045707900000000 ] - [ -0.0020353400000000, -0.0005395600000000, 0.0045793100000000 ] - [ 0.0006646100000000, -0.0032711400000000, 0.0006134400000000 ] - [ 0.0007940400000000, -0.0035064400000000, 0.0006573800000000 ] - [ -0.0015220700000000, -0.0040521200000000, -0.0008729600000000 ] - [ -0.0014942600000000, -0.0035069300000000, -0.0008125400000000 ] - [ -0.0017054500000000, 0.0040779500000000, -0.0009330100000000 ] - [ -0.0014450600000000, 0.0034862000000000, -0.0008125200000000 ] - [ 0.0006762200000000, 0.0034647900000000, 0.0006309300000000 ] - [ 0.0007646200000000, 0.0033181700000000, 0.0006340600000000 ] - [ 0.0015329000000000, 0.0002506500000000, -0.0042099700000000 ] - [ 0.0015318600000000, 0.0001888900000000, -0.0042333500000000 ] - [ -0.0022029700000000, 0.0006122600000000, 0.0036968000000000 ] - [ -0.0020560300000000, 0.0003736400000000, 0.0038888100000000 ] - [ -0.0021883000000000, -0.0006422500000000, 0.0037430000000000 ] - [ -0.0021103100000000, -0.0003145100000000, 0.0038881800000000 ] - [ 0.0014773100000000, -0.0001589100000000, -0.0042742100000000 ] - [ 0.0015828500000000, -0.0002817800000000, -0.0041782300000000 ] - [ -0.0009994200000000, 0.0007293200000000, -0.0007204200000000 ] - [ -0.0007378800000000, 0.0007248800000000, -0.0006412100000000 ] - [ -0.0013594200000000, 0.0009240700000000, 0.0000623300000000 ] - [ -0.0010643800000000, 0.0007895900000000, 0.0001448900000000 ] - [ -0.0012126700000000, -0.0009113800000000, 0.0001054100000000 ] - [ -0.0012585000000000, -0.0007797700000000, 0.0000923300000000 ] - [ -0.0010981900000000, -0.0006956600000000, -0.0007489700000000 ] - [ -0.0006739700000000, -0.0007606600000000, -0.0006242300000000 ] - [ 0.0037366400000000, -0.0028043200000000, -0.0015557100000000 ] - [ -0.0001259400000000, -0.0002634400000000, -0.0001480500000000 ] - [ 0.0033448300000000, 0.0028369800000000, 0.0000968000000000 ] - [ -0.0002275800000000, -0.0004573300000000, 0.0004947400000000 ] - [ -0.0026550200000000, -0.0009462000000000, -0.0034152300000000 ] - [ -0.0033175400000000, 0.0004778700000000, -0.0023633000000000 ] - [ 0.0044145300000000, -0.0027440900000000, 0.0019957900000000 ] - [ -0.0002982700000000, -0.0008435100000000, 0.0010039400000000 ] - [ -0.0002146300000000, -0.0013519900000000, 0.0013399500000000 ] - [ -0.0004924100000000, 0.0044383300000000, 0.0010779500000000 ] - [ -0.0568433200000000, -0.0168457900000000, -0.0252212600000000 ] - [ -0.0034467300000000, 0.0027795600000000, -0.0018533800000000 ] - [ 0.0006615500000000, -0.0009676900000000, 0.0002574600000000 ] - [ 0.0018174300000000, 0.0001863300000000, 0.0001831000000000 ] - [ 0.0016186300000000, 0.0007259800000000, 0.0007546000000000 ] - [ 0.0006281200000000, 0.0005985200000000, 0.0001434000000000 ] - [ 0.0003227600000000, -0.0015647600000000, -0.0010060500000000 ] - [ -0.0000316300000000, -0.0013095400000000, -0.0010714700000000 ] - [ 0.0020892200000000, -0.0009384200000000, 0.0015369500000000 ] - [ 0.0021826900000000, -0.0017519200000000, 0.0015788300000000 ] - [ 0.0022208300000000, 0.0009433200000000, 0.0015502500000000 ] - [ 0.0019511500000000, 0.0016154600000000, 0.0015152300000000 ] - [ 0.0002400800000000, 0.0013393900000000, -0.0010244400000000 ] - [ 0.0000233300000000, 0.0015364400000000, -0.0010608700000000 ] - [ 0.0002998000000000, -0.0001957700000000, -0.0000240900000000 ] - [ 0.0000945900000000, 0.0000706900000000, 0.0000627800000000 ] - [ 0.0001598100000000, 0.0002913100000000, -0.0001250100000000 ] - [ 0.0003843600000000, -0.0003815200000000, 0.0001152900000000 ] - [ -0.0001399700000000, 0.0002569100000000, 0.0000893200000000 ] - [ 0.0000323700000000, -0.0001997600000000, -0.0000290400000000 ] - [ 0.0002004000000000, -0.0000699100000000, 0.0000976000000000 ] - [ 0.0001612400000000, 0.0001406300000000, -0.0000201900000000 ] - [ -0.0011982000000000, -0.0015686200000000, 0.0005583400000000 ] - [ -0.0004313500000000, 0.0025368900000000, 0.0007580200000000 ] - [ -0.0100693000000000, -0.0011380100000000, -0.0013204800000000 ] - [ -0.0009902400000000, 0.0005431400000000, -0.0013299600000000 ] - [ -0.0118850600000000, 0.0003246700000000, -0.0007553700000000 ] - [ -0.0020386300000000, -0.0018521000000000, -0.0015710000000000 ] - [ 0.0100425800000000, 0.0000945800000000, 0.0045256100000000 ] - [ -0.0015679800000000, -0.0002508700000000, 0.0005078800000000 ] - [ 0.0015731600000000, 0.0000093000000000, 0.0015497900000000 ] - [ 0.0001905700000000, 0.0002685200000000, 0.0010502500000000 ] - [ 0.0023288000000000, 0.0001874200000000, -0.0002484400000000 ] - [ 0.0026320500000000, 0.0004053600000000, -0.0002043500000000 ] - [ 0.0027598300000000, -0.0003980300000000, -0.0001312700000000 ] - [ 0.0021813200000000, -0.0002039900000000, -0.0003394300000000 ] - [ 0.0012987800000000, 0.0002855200000000, 0.0013899200000000 ] - [ 0.0002478600000000, -0.0004304800000000, 0.0010957100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005160700000000, -0.0003653200000000, -0.0008107300000000 ] - [ 0.0016053100000000, 0.0004066000000000, -0.0009406100000000 ] - [ 0.0070643100000000, -0.0050726000000000, -0.0013442100000000 ] - [ -0.0028127100000000, 0.0020683400000000, 0.0013946500000000 ] - [ 0.0048359000000000, 0.0022112500000000, 0.0057238200000000 ] - [ 0.0001193700000000, 0.0014367800000000, 0.0000634300000000 ] - [ 0.0008474500000000, -0.0000799600000000, -0.0006378200000000 ] - [ -0.0007726000000000, 0.0008737800000000, -0.0007128000000000 ] - [ -0.0004346100000000, -0.0006725000000000, 0.0007758400000000 ] - [ 0.0004580700000000, -0.0000992100000000, 0.0010758400000000 ] - [ 0.0010826200000000, -0.0033710900000000, -0.0014493100000000 ] - [ -0.0002740700000000, 0.0010392500000000, -0.0005269700000000 ] - [ 0.0033058300000000, 0.0015654900000000, 0.0012518700000000 ] - [ -0.0016536300000000, 0.0016659000000000, -0.0029539900000000 ] - [ 0.0007863100000000, -0.0001021500000000, 0.0015375600000000 ] - [ -0.0002409200000000, 0.0008732000000000, 0.0010267300000000 ] - [ -0.0072707700000000, 0.0096614900000000, 0.0139602200000000 ] - [ -0.0012495400000000, 0.0024671400000000, 0.0032952100000000 ] - [ 0.0008621200000000, -0.0012320600000000, -0.0025510800000000 ] - [ 0.0016694100000000, 0.0014230100000000, -0.0048290000000000 ] - [ -0.0000957100000000, 0.0001053400000000, -0.0044188500000000 ] - [ 0.0028084400000000, 0.0003980500000000, -0.0047974000000000 ] - [ -0.0041721000000000, -0.0147719400000000, 0.0075132800000000 ] - [ -0.0013279700000000, 0.0033461700000000, 0.0039064300000000 ] - [ -0.0015219800000000, 0.0089834400000000, 0.0003479700000000 ] - [ -0.0054844100000000, 0.0346206500000000, 0.0255569100000000 ] - [ -0.0032603700000000, -0.0082847100000000, -0.0011871800000000 ] - [ -0.0000774600000000, -0.0009762800000000, -0.0004917900000000 ] - [ -0.0013577300000000, 0.0014921900000000, -0.0007219200000000 ] - [ -0.0013008700000000, 0.0053193000000000, -0.0007730000000000 ] - [ 0.0023769200000000, 0.0031751000000000, -0.0039465200000000 ] - [ 0.0015109500000000, 0.0093894400000000, 0.0019031000000000 ] - [ -0.0278852400000000, -0.1708809600000000, -0.1349818400000000 ] - [ 0.0020826800000000, 0.0049664200000000, -0.0033886000000000 ] - [ -0.0034857500000000, 0.0010718100000000, 0.0030315900000000 ] - [ -0.0010800600000000, 0.0010668400000000, 0.0047878700000000 ] - [ -0.0014898200000000, -0.0017291500000000, 0.0027025200000000 ] - [ -0.0018802800000000, 0.0006468500000000, 0.0041932000000000 ] - [ 0.0017662300000000, -0.0010554500000000, -0.0082694400000000 ] - [ 0.0012057100000000, 0.0028260700000000, -0.0025998000000000 ] - [ 0.0199953200000000, 0.0025031600000000, 0.0190557900000000 ] - [ -0.0014553800000000, 0.0023800700000000, -0.0007758000000000 ] - [ -0.0103434000000000, 0.0018995500000000, -0.0037868200000000 ] - [ 0.0023877400000000, 0.0022319000000000, 0.0010560400000000 ] - [ -0.0040638800000000, -0.0033601300000000, -0.0000544900000000 ] - [ -0.0001712100000000, 0.0001826000000000, 0.0003522100000000 ] - [ -0.0038806800000000, 0.0006644800000000, -0.0008561200000000 ] - [ 0.0018290700000000, -0.0005431000000000, 0.0002578400000000 ] - [ 0.0013854300000000, -0.0010422900000000, -0.0005269000000000 ] - [ -0.0004519900000000, 0.0002548500000000, -0.0008332100000000 ] - [ 0.0001231800000000, -0.0003762600000000, 0.0007399000000000 ] - [ 0.0009868800000000, -0.0006299700000000, 0.0007335100000000 ] - [ 0.0007852400000000, 0.0005218900000000, 0.0008164600000000 ] - [ 0.0002282500000000, 0.0005520200000000, 0.0007399700000000 ] - [ 0.0025332200000000, -0.0009219900000000, -0.0007264000000000 ] - [ -0.0013779900000000, 0.0014572000000000, -0.0009240700000000 ] - [ 0.0002468400000000, -0.0025658300000000, 0.0018774100000000 ] - [ -0.0001407900000000, 0.0007993100000000, 0.0005112200000000 ] - [ 0.0001427500000000, -0.0006217600000000, -0.0010102100000000 ] - [ 0.0005337700000000, -0.0002627000000000, -0.0005926000000000 ] - [ 0.0004665000000000, 0.0002029700000000, -0.0005144300000000 ] - [ 0.0001657400000000, 0.0007493800000000, -0.0009804300000000 ] - [ 0.0014923900000000, 0.0012351400000000, 0.0024785400000000 ] - [ -0.0007166300000000, 0.0006413000000000, 0.0000947100000000 ] - [ -0.0014130900000000, 0.0002023300000000, 0.0045191000000000 ] - [ -0.0016008700000000, 0.0005318700000000, 0.0046013000000000 ] - [ 0.0021257500000000, 0.0005621700000000, -0.0046540200000000 ] - [ 0.0015934700000000, 0.0004149300000000, -0.0045299100000000 ] - [ 0.0020180100000000, -0.0009123500000000, -0.0046316200000000 ] - [ 0.0016581300000000, -0.0000549500000000, -0.0044944200000000 ] - [ -0.0014935600000000, -0.0003719900000000, 0.0045746300000000 ] - [ -0.0015103000000000, -0.0003559700000000, 0.0045377100000000 ] - [ 0.0013959800000000, -0.0039394700000000, 0.0008195900000000 ] - [ 0.0012101600000000, -0.0033888400000000, 0.0007575800000000 ] - [ -0.0006629400000000, -0.0028274200000000, -0.0005721000000000 ] - [ -0.0012909300000000, -0.0041134200000000, -0.0008023200000000 ] - [ -0.0012357000000000, 0.0029085100000000, -0.0007332100000000 ] - [ -0.0008145800000000, 0.0040797700000000, -0.0007013200000000 ] - [ 0.0013009200000000, 0.0034552100000000, 0.0007769100000000 ] - [ 0.0013097800000000, 0.0038704900000000, 0.0008037300000000 ] - [ 0.0019817700000000, 0.0004091900000000, -0.0039421500000000 ] - [ 0.0019229700000000, 0.0004065100000000, -0.0039261800000000 ] - [ -0.0015607300000000, -0.0002416000000000, 0.0042907100000000 ] - [ -0.0017979700000000, 0.0007658300000000, 0.0039470900000000 ] - [ -0.0015296800000000, -0.0002300400000000, 0.0042884700000000 ] - [ -0.0018576500000000, -0.0002867800000000, 0.0039752600000000 ] - [ 0.0020141700000000, -0.0005822600000000, -0.0038630900000000 ] - [ 0.0018904600000000, -0.0002270200000000, -0.0040137100000000 ] - [ 0.0010110300000000, 0.0007883500000000, -0.0001449500000000 ] - [ 0.0003000200000000, 0.0008502800000000, -0.0003651800000000 ] - [ 0.0003342600000000, 0.0005609300000000, 0.0005438600000000 ] - [ 0.0002059900000000, 0.0009532700000000, 0.0004824300000000 ] - [ 0.0004799300000000, -0.0006732100000000, 0.0005559900000000 ] - [ 0.0000245900000000, -0.0008229800000000, 0.0004593500000000 ] - [ 0.0008780100000000, -0.0009475300000000, -0.0001870200000000 ] - [ 0.0003960700000000, -0.0006887900000000, -0.0003356900000000 ] - [ -0.0042486800000000, 0.0051564200000000, 0.0000170500000000 ] - [ 0.0016452200000000, -0.0036313900000000, -0.0001694200000000 ] - [ -0.0060498400000000, -0.0002668400000000, -0.0015297300000000 ] - [ 0.0015735300000000, -0.0014124800000000, 0.0021455400000000 ] - [ 0.0037441600000000, -0.0089791100000000, -0.0050865600000000 ] - [ -0.0027029400000000, -0.0042345000000000, -0.0019329600000000 ] - [ 0.0035278600000000, 0.0032781800000000, 0.0014844800000000 ] - [ 0.0010995500000000, -0.0038902800000000, 0.0013559200000000 ] - [ 0.0102470200000000, 0.0027154900000000, 0.0029874100000000 ] - [ -0.0022915300000000, -0.0013453000000000, 0.0006057300000000 ] - [ 0.0173696200000000, 0.1162919100000000, 0.0802661700000000 ] - [ 0.0017186600000000, -0.0071618700000000, -0.0009633400000000 ] - [ 0.0003220300000000, -0.0003206200000000, 0.0001243100000000 ] - [ -0.0014875400000000, -0.0010226100000000, -0.0002029900000000 ] - [ -0.0012101200000000, 0.0009085600000000, -0.0004739800000000 ] - [ 0.0002852300000000, -0.0001352700000000, -0.0000860500000000 ] - [ -0.0016401400000000, -0.0009698500000000, -0.0014319300000000 ] - [ -0.0012890900000000, -0.0017353400000000, -0.0013683000000000 ] - [ 0.0001620600000000, -0.0018512800000000, 0.0011510100000000 ] - [ 0.0008952500000000, -0.0011438000000000, 0.0012711900000000 ] - [ 0.0005860700000000, 0.0024711000000000, 0.0011726700000000 ] - [ 0.0004240000000000, 0.0004064200000000, 0.0011943600000000 ] - [ -0.0017338500000000, 0.0015046800000000, -0.0014511000000000 ] - [ -0.0012110800000000, 0.0011844500000000, -0.0013469100000000 ] - [ -0.0000847000000000, 0.0002404300000000, 0.0001190000000000 ] - [ -0.0000640400000000, -0.0001594600000000, -0.0001020600000000 ] - [ -0.0006314600000000, -0.0008027300000000, 0.0003073500000000 ] - [ 0.0016041400000000, 0.0005778300000000, 0.0002049900000000 ] - [ 0.0000002800000000, -0.0005799900000000, -0.0003152800000000 ] - [ 0.0002501000000000, 0.0005630500000000, 0.0003839000000000 ] - [ 0.0000352600000000, 0.0001724600000000, -0.0000783500000000 ] - [ -0.0001534600000000, -0.0001974500000000, 0.0000524500000000 ] - [ 0.0024081400000000, 0.0000919100000000, 0.0018163700000000 ] - [ -0.0035724800000000, -0.0006360700000000, -0.0000321500000000 ] - [ 0.0050687100000000, 0.0203969700000000, 0.0027233600000000 ] - [ 0.0011627500000000, -0.0072339600000000, -0.0005069500000000 ] - [ 0.0051398200000000, 0.0113198800000000, -0.0006207000000000 ] - [ 0.0030894000000000, -0.0198570900000000, 0.0007814800000000 ] - [ -0.0111297600000000, 0.0027962600000000, -0.0026565800000000 ] - [ 0.0004277500000000, -0.0031821400000000, 0.0011381300000000 ] - [ -0.0025132000000000, 0.0020073000000000, 0.0006090400000000 ] - [ -0.0007147700000000, -0.0011653900000000, 0.0005140400000000 ] - [ 0.0002779800000000, 0.0001847500000000, -0.0009100100000000 ] - [ 0.0000426300000000, 0.0001485300000000, -0.0010039700000000 ] - [ -0.0001512100000000, 0.0002523000000000, -0.0010184600000000 ] - [ 0.0004565300000000, -0.0005683800000000, -0.0008885900000000 ] - [ -0.0030926200000000, -0.0001153800000000, -0.0002270600000000 ] - [ -0.0003180600000000, -0.0005236300000000, 0.0010933200000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002031100000000, -0.0004127800000000, -0.0006741700000000 ] - [ -0.0019308900000000, -0.0011920800000000, -0.0005430300000000 ] - [ -0.0068014000000000, 0.0043574600000000, 0.0028514900000000 ] - [ 0.0031244400000000, -0.0028497700000000, 0.0000877500000000 ] - [ -0.0045103200000000, -0.0013874900000000, -0.0043068200000000 ] - [ 0.0001916600000000, -0.0006643200000000, 0.0014202700000000 ] - [ -0.0011719800000000, 0.0008622500000000, -0.0008466100000000 ] - [ 0.0004581400000000, -0.0000957500000000, -0.0007698300000000 ] - [ 0.0001911800000000, -0.0002467600000000, 0.0010752000000000 ] - [ -0.0006957400000000, -0.0008135800000000, 0.0007715500000000 ] - [ -0.0008172900000000, 0.0024552500000000, -0.0003730100000000 ] - [ 0.0005122500000000, -0.0019631700000000, -0.0013264400000000 ] - [ -0.0030930400000000, -0.0006338400000000, -0.0031455900000000 ] - [ 0.0018884600000000, -0.0007517200000000, 0.0010964100000000 ] - [ -0.0010303300000000, 0.0010264200000000, 0.0003111100000000 ] - [ -0.0000026100000000, 0.0000469300000000, 0.0008230400000000 ] - [ 0.0040324300000000, -0.0089830100000000, -0.0049986700000000 ] - [ -0.0020711700000000, -0.0016608700000000, 0.0058246800000000 ] - [ 0.0024512700000000, 0.0020543400000000, -0.0065830600000000 ] - [ 0.0016640100000000, -0.0006002600000000, -0.0043004200000000 ] - [ 0.0034410500000000, -0.0009335200000000, -0.0047181600000000 ] - [ 0.0005226200000000, -0.0012377800000000, -0.0043375100000000 ] - [ 0.0009088200000000, 0.0139436200000000, 0.0012913300000000 ] - [ -0.0020034100000000, -0.0041918700000000, 0.0052374700000000 ] - [ 0.0037997300000000, -0.0162553600000000, 0.0011344200000000 ] - [ 0.0075400700000000, -0.0411383800000000, -0.0235741400000000 ] - [ 0.0010239900000000, 0.0011672000000000, -0.0002948000000000 ] - [ -0.0021782400000000, -0.0061945600000000, -0.0009926000000000 ] - [ -0.0009174100000000, 0.0056978300000000, -0.0007673500000000 ] - [ -0.0009515100000000, 0.0018214300000000, -0.0007101500000000 ] - [ -0.0001142300000000, 0.0039500700000000, 0.0053885000000000 ] - [ 0.0007473000000000, -0.0022552000000000, -0.0004311500000000 ] - [ 0.0310452800000000, 0.1702401800000000, 0.1212146100000000 ] - [ 0.0015669000000000, -0.0042900200000000, -0.0046786500000000 ] - [ -0.0001449100000000, -0.0003820400000000, 0.0050347200000000 ] - [ -0.0025650200000000, -0.0003868000000000, 0.0032695800000000 ] - [ -0.0021705200000000, 0.0010296800000000, 0.0053470800000000 ] - [ -0.0017610000000000, -0.0013445900000000, 0.0038610300000000 ] - [ 0.0018617200000000, 0.0004314700000000, 0.0002825300000000 ] - [ 0.0024401900000000, -0.0035311800000000, -0.0054375100000000 ] - [ -0.0195830900000000, -0.0010694600000000, -0.0197645200000000 ] - [ 0.0018474300000000, -0.0008083200000000, 0.0000058300000000 ] - [ 0.0100967000000000, -0.0003256900000000, 0.0046136500000000 ] - [ -0.0027300800000000, -0.0006608500000000, -0.0002727000000000 ] - [ 0.0036086000000000, 0.0017942500000000, 0.0008321200000000 ] - [ -0.0001831800000000, -0.0017671800000000, 0.0004277100000000 ] - [ 0.0042758600000000, -0.0022491300000000, 0.0000793400000000 ] - [ -0.0014587400000000, -0.0010514200000000, -0.0010322400000000 ] - [ -0.0017057800000000, 0.0002702100000000, -0.0009553200000000 ] - [ 0.0001292300000000, -0.0010385800000000, -0.0006516300000000 ] - [ 0.0001931400000000, -0.0004041600000000, 0.0007435900000000 ] - [ -0.0006739800000000, -0.0001493600000000, 0.0007496900000000 ] - [ -0.0004737000000000, 0.0002558400000000, 0.0006682200000000 ] - [ 0.0000883900000000, 0.0002274500000000, 0.0007439600000000 ] - [ -0.0028549500000000, 0.0017142300000000, -0.0007580100000000 ] - [ 0.0010588800000000, -0.0006798400000000, -0.0005612400000000 ] - [ -0.0004875600000000, 0.0016553900000000, -0.0000236200000000 ] - [ -0.0001085300000000, -0.0017253900000000, 0.0013385600000000 ] - [ 0.0000950000000000, -0.0002966100000000, -0.0008404600000000 ] - [ -0.0002917200000000, -0.0006635200000000, -0.0012608300000000 ] - [ -0.0002242000000000, 0.0007221700000000, -0.0013396600000000 ] - [ 0.0000682100000000, 0.0001568500000000, -0.0008674600000000 ] - [ -0.0017353900000000, -0.0003080300000000, -0.0006347400000000 ] - [ 0.0004705100000000, 0.0002776400000000, 0.0017521800000000 ] - [ -0.0019198600000000, 0.0006238200000000, 0.0046132300000000 ] - [ -0.0017306200000000, 0.0002947300000000, 0.0045310400000000 ] - [ 0.0012042300000000, 0.0002677800000000, -0.0044788700000000 ] - [ 0.0017359800000000, 0.0004107500000000, -0.0046026600000000 ] - [ 0.0013114000000000, 0.0000873300000000, -0.0045019400000000 ] - [ 0.0016722200000000, -0.0007729500000000, -0.0046396100000000 ] - [ -0.0018382300000000, -0.0004531600000000, 0.0045570200000000 ] - [ -0.0018225600000000, -0.0004743200000000, 0.0045946900000000 ] - [ 0.0008592900000000, -0.0032129300000000, 0.0006643800000000 ] - [ 0.0010456600000000, -0.0037712300000000, 0.0007262600000000 ] - [ -0.0015969900000000, -0.0043308700000000, -0.0009134500000000 ] - [ -0.0009667100000000, -0.0030490800000000, -0.0006823700000000 ] - [ -0.0010215500000000, 0.0042464000000000, -0.0007517000000000 ] - [ -0.0014455500000000, 0.0030790800000000, -0.0007835500000000 ] - [ 0.0009541200000000, 0.0037064600000000, 0.0007070100000000 ] - [ 0.0009447800000000, 0.0032822700000000, 0.0006796900000000 ] - [ 0.0016622600000000, 0.0002864200000000, -0.0041138300000000 ] - [ 0.0017192400000000, 0.0002832300000000, -0.0041305200000000 ] - [ -0.0020853700000000, 0.0009373300000000, 0.0037641300000000 ] - [ -0.0018478300000000, -0.0000738900000000, 0.0041092200000000 ] - [ -0.0021151700000000, -0.0004613500000000, 0.0037664900000000 ] - [ -0.0017877800000000, -0.0004088900000000, 0.0040792900000000 ] - [ 0.0016293900000000, -0.0001112700000000, -0.0041939700000000 ] - [ 0.0017535600000000, -0.0004657800000000, -0.0040422900000000 ] - [ -0.0006495900000000, 0.0007933200000000, -0.0006329100000000 ] - [ 0.0000612500000000, 0.0007287100000000, -0.0004129500000000 ] - [ -0.0007057700000000, 0.0010200800000000, 0.0002306400000000 ] - [ -0.0005766200000000, 0.0006270500000000, 0.0002930700000000 ] - [ -0.0008505000000000, -0.0009067100000000, 0.0002194500000000 ] - [ -0.0003952700000000, -0.0007591800000000, 0.0003157400000000 ] - [ -0.0005173900000000, -0.0006321300000000, -0.0005906900000000 ] - [ -0.0000321400000000, -0.0008923100000000, -0.0004416700000000 ] - [ 0.0042523700000000, -0.0062441300000000, -0.0000384000000000 ] - [ -0.0016331600000000, 0.0025948400000000, 0.0001729900000000 ] - [ 0.0060414200000000, 0.0012668900000000, 0.0015565300000000 ] - [ -0.0015654100000000, 0.0024708500000000, -0.0021408600000000 ] - [ -0.0057326800000000, 0.0062363700000000, 0.0025443900000000 ] - [ 0.0007433500000000, 0.0015449000000000, -0.0006564300000000 ] - [ -0.0014880600000000, -0.0060427400000000, 0.0011111800000000 ] - [ 0.0008435100000000, 0.0011512500000000, 0.0012199900000000 ] - [ -0.0083685500000000, 0.0000219800000000, -0.0004189800000000 ] - [ 0.0042328500000000, 0.0041310400000000, 0.0019712300000000 ] - [ -0.0184053900000000, -0.1112597700000000, -0.0778061600000000 ] - [ -0.0037048200000000, 0.0099620200000000, -0.0016229500000000 ] - [ -0.0003251300000000, -0.0007306800000000, -0.0001256000000000 ] - [ 0.0014979100000000, -0.0000198900000000, 0.0002030900000000 ] - [ 0.0012195200000000, 0.0001358200000000, 0.0004779100000000 ] - [ -0.0002885200000000, 0.0011870900000000, 0.0000871400000000 ] - [ -0.0003138600000000, -0.0017877800000000, -0.0011461000000000 ] - [ -0.0006632500000000, -0.0010186400000000, -0.0012094400000000 ] - [ 0.0018009600000000, -0.0009054800000000, 0.0014297900000000 ] - [ 0.0010641400000000, -0.0016062500000000, 0.0013085100000000 ] - [ 0.0013757200000000, 0.0002807600000000, 0.0014072100000000 ] - [ 0.0015368500000000, 0.0023507400000000, 0.0013848600000000 ] - [ -0.0002184100000000, 0.0012461200000000, -0.0011269700000000 ] - [ -0.0007413700000000, 0.0015745500000000, -0.0012311900000000 ] - [ 0.0000849000000000, -0.0002425900000000, -0.0001203100000000 ] - [ 0.0000631800000000, 0.0001614800000000, 0.0001026700000000 ] - [ 0.0006373700000000, 0.0008070300000000, -0.0003076600000000 ] - [ -0.0016032200000000, -0.0005766200000000, -0.0002037000000000 ] - [ 0.0000015400000000, 0.0005806200000000, 0.0003153200000000 ] - [ -0.0002517600000000, -0.0005613700000000, -0.0003820300000000 ] - [ -0.0000360400000000, -0.0001755700000000, 0.0000797500000000 ] - [ 0.0001550900000000, 0.0001999900000000, -0.0000534400000000 ] - [ -0.0041562600000000, 0.0002952800000000, -0.0003513900000000 ] - [ 0.0018507700000000, 0.0010780600000000, 0.0015022800000000 ] - [ -0.0034147000000000, -0.0200786900000000, -0.0041398000000000 ] - [ 0.0005580100000000, 0.0076709600000000, -0.0009657900000000 ] - [ -0.0037851000000000, -0.0129187000000000, -0.0003478800000000 ] - [ -0.0013748700000000, 0.0194157200000000, -0.0022477100000000 ] - [ 0.0094776900000000, -0.0032195600000000, 0.0041493800000000 ] - [ -0.0021793500000000, 0.0027771500000000, 0.0003239100000000 ] - [ 0.0007863700000000, -0.0016039600000000, 0.0008608800000000 ] - [ -0.0010038300000000, 0.0015867200000000, 0.0009615400000000 ] - [ 0.0014563600000000, 0.0002267300000000, -0.0005566800000000 ] - [ 0.0016924200000000, 0.0002687000000000, -0.0004635100000000 ] - [ 0.0018851500000000, -0.0006668300000000, -0.0004493800000000 ] - [ 0.0012757000000000, 0.0001569000000000, -0.0005794500000000 ] - [ 0.0013747600000000, -0.0003025200000000, 0.0016997300000000 ] - [ -0.0014066900000000, 0.0001185700000000, 0.0003776600000000 ]- atom: 33 displacement: [ -0.0030072416887981, 0.0000000000000000, 0.0095371115871188 ] forces: - [ 0.0000621000000000, -0.0002977800000000, -0.0007919100000000 ] - [ 0.0007780000000000, 0.0000586900000000, -0.0009826200000000 ] - [ -0.0050136800000000, 0.0001260500000000, 0.0027270400000000 ] - [ -0.0012506100000000, 0.0003985300000000, 0.0011030300000000 ] - [ 0.0101478600000000, 0.0080390900000000, 0.0029166500000000 ] - [ -0.0000008000000000, 0.0003610300000000, 0.0004401000000000 ] - [ -0.0000227800000000, 0.0003136100000000, -0.0005950200000000 ] - [ -0.0001980400000000, 0.0004493900000000, -0.0006474100000000 ] - [ -0.0001456100000000, -0.0004070000000000, 0.0008070500000000 ] - [ 0.0000501700000000, -0.0003288800000000, 0.0008864000000000 ] - [ 0.0024405700000000, -0.0008277800000000, 0.0027597900000000 ] - [ -0.0001159100000000, 0.0000122700000000, -0.0007170200000000 ] - [ -0.0001788600000000, 0.0021169800000000, -0.0036105900000000 ] - [ -0.0007205900000000, 0.0006076500000000, -0.0020148800000000 ] - [ 0.0004207900000000, 0.0003403700000000, 0.0014629600000000 ] - [ -0.0000253100000000, 0.0005501100000000, 0.0010698500000000 ] - [ -0.0030280200000000, 0.0089779500000000, 0.0053344500000000 ] - [ -0.0011693100000000, -0.0011115600000000, 0.0026994800000000 ] - [ -0.0002501400000000, -0.0010720800000000, -0.0024756600000000 ] - [ 0.0015321100000000, 0.0005697200000000, -0.0044102200000000 ] - [ 0.0022461200000000, -0.0008807300000000, -0.0053462100000000 ] - [ 0.0024158400000000, 0.0000853300000000, -0.0051522200000000 ] - [ -0.0200176800000000, -0.0019243700000000, 0.0836233100000000 ] - [ -0.0018850500000000, -0.0002447700000000, 0.0053027900000000 ] - [ 0.0015622100000000, -0.0069004700000000, 0.0008676200000000 ] - [ 0.0015692600000000, 0.0184113100000000, 0.0045372500000000 ] - [ -0.0004276100000000, -0.0046641300000000, -0.0007316400000000 ] - [ -0.0007157500000000, -0.0028719800000000, -0.0006544700000000 ] - [ -0.0028795800000000, 0.0043213300000000, -0.0010069400000000 ] - [ -0.0012301500000000, 0.0037755800000000, -0.0007553200000000 ] - [ -0.0028109700000000, -0.0079082600000000, 0.0047083500000000 ] - [ 0.0012764800000000, 0.0060767400000000, 0.0016457900000000 ] - [ 0.0015159500000000, -0.1158051600000000, -0.2909943400000000 ] - [ 0.0021725400000000, 0.0008905400000000, -0.0048268100000000 ] - [ -0.0015811700000000, -0.0001439400000000, 0.0047268100000000 ] - [ -0.0015982200000000, 0.0008014700000000, 0.0047227600000000 ] - [ -0.0027144100000000, -0.0016977400000000, 0.0022163100000000 ] - [ -0.0018300500000000, -0.0001803400000000, 0.0038631500000000 ] - [ -0.0006547900000000, 0.0036410200000000, 0.0012983400000000 ] - [ 0.0011047200000000, -0.0018754700000000, -0.0019285300000000 ] - [ 0.0137689500000000, 0.0085922400000000, 0.0031474100000000 ] - [ 0.0004224600000000, 0.0007668500000000, -0.0003764700000000 ] - [ 0.0024585300000000, -0.0007816400000000, 0.0006481700000000 ] - [ 0.0007882400000000, 0.0014223200000000, 0.0005929800000000 ] - [ -0.0137220800000000, -0.0013292000000000, 0.0025749500000000 ] - [ -0.0004658400000000, -0.0006843900000000, 0.0003113400000000 ] - [ -0.0018475400000000, -0.0001919500000000, -0.0003629500000000 ] - [ -0.0019592300000000, -0.0016909900000000, -0.0005832900000000 ] - [ -0.0006945600000000, -0.0000637900000000, 0.0000121300000000 ] - [ -0.0005079800000000, -0.0003903700000000, -0.0006754200000000 ] - [ 0.0003898700000000, -0.0004467000000000, 0.0007220500000000 ] - [ 0.0006358900000000, -0.0005174300000000, 0.0007222500000000 ] - [ 0.0005200600000000, 0.0005279400000000, 0.0008105400000000 ] - [ 0.0003943400000000, 0.0005031400000000, 0.0007605100000000 ] - [ 0.0020834600000000, 0.0002822800000000, -0.0013253600000000 ] - [ -0.0004101500000000, 0.0005037100000000, -0.0009320700000000 ] - [ -0.0004130500000000, -0.0003216400000000, 0.0014956600000000 ] - [ -0.0002595100000000, -0.0001825200000000, 0.0008304300000000 ] - [ 0.0002754500000000, -0.0005014500000000, -0.0008915200000000 ] - [ 0.0003629600000000, -0.0004079600000000, -0.0007867500000000 ] - [ 0.0003118600000000, 0.0003937800000000, -0.0006718700000000 ] - [ 0.0002525600000000, 0.0005146600000000, -0.0008435400000000 ] - [ 0.0014095400000000, 0.0019416600000000, 0.0015902000000000 ] - [ -0.0001367200000000, 0.0000925500000000, 0.0004400100000000 ] - [ -0.0014852200000000, 0.0003201900000000, 0.0045503400000000 ] - [ -0.0015602300000000, 0.0004184000000000, 0.0045710700000000 ] - [ 0.0019485400000000, 0.0005793600000000, -0.0046071500000000 ] - [ 0.0017055600000000, 0.0003642600000000, -0.0045659600000000 ] - [ 0.0018179000000000, -0.0005296500000000, -0.0045812300000000 ] - [ 0.0016763100000000, -0.0003202900000000, -0.0045158200000000 ] - [ -0.0015048900000000, -0.0003500100000000, 0.0045505300000000 ] - [ -0.0015238500000000, -0.0003807000000000, 0.0045491200000000 ] - [ 0.0013014400000000, -0.0037054800000000, 0.0007915000000000 ] - [ 0.0012488800000000, -0.0035982000000000, 0.0007754900000000 ] - [ -0.0009059700000000, -0.0032284600000000, -0.0006370000000000 ] - [ -0.0009454800000000, -0.0037501700000000, -0.0006976100000000 ] - [ -0.0010735300000000, 0.0032558000000000, -0.0007308300000000 ] - [ -0.0010722200000000, 0.0037988000000000, -0.0007612600000000 ] - [ 0.0013127200000000, 0.0036330700000000, 0.0007906900000000 ] - [ 0.0012662300000000, 0.0036804500000000, 0.0007856200000000 ] - [ 0.0019533100000000, 0.0004203200000000, -0.0039305100000000 ] - [ 0.0019301700000000, 0.0003840500000000, -0.0039375200000000 ] - [ -0.0016453600000000, 0.0001821700000000, 0.0041955400000000 ] - [ -0.0017794400000000, 0.0004355900000000, 0.0039963200000000 ] - [ -0.0016867000000000, -0.0001927600000000, 0.0041223000000000 ] - [ -0.0017990000000000, -0.0003908600000000, 0.0040480500000000 ] - [ 0.0019738800000000, -0.0004521300000000, -0.0039193300000000 ] - [ 0.0019144500000000, -0.0003451000000000, -0.0039710200000000 ] - [ 0.0006664300000000, 0.0008246100000000, -0.0002488300000000 ] - [ 0.0004335600000000, 0.0008005500000000, -0.0003223500000000 ] - [ 0.0002957800000000, 0.0007172300000000, 0.0005338000000000 ] - [ 0.0001419300000000, 0.0008395100000000, 0.0004759300000000 ] - [ 0.0002383600000000, -0.0006994800000000, 0.0004931600000000 ] - [ 0.0001165300000000, -0.0008044500000000, 0.0004770300000000 ] - [ 0.0006883600000000, -0.0008412200000000, -0.0002466900000000 ] - [ 0.0003975000000000, -0.0007796700000000, -0.0003337800000000 ] - [ 0.0028234500000000, -0.0036449700000000, -0.0033901800000000 ] - [ 0.0009065600000000, -0.0013137300000000, -0.0001975900000000 ] - [ -0.0071688400000000, -0.0051522400000000, 0.0028734000000000 ] - [ 0.0004667500000000, 0.0005653100000000, 0.0010819900000000 ] - [ 0.0016353700000000, -0.0045554900000000, -0.0046311200000000 ] - [ 0.0034535200000000, 0.0067896700000000, -0.0010653400000000 ] - [ 0.0094213100000000, 0.0017139400000000, 0.0018394300000000 ] - [ 0.0012695900000000, -0.0016820300000000, 0.0013250900000000 ] - [ -0.0011714600000000, 0.0030440100000000, 0.0013686800000000 ] - [ -0.0003842800000000, 0.0003128600000000, 0.0010778500000000 ] - [ 0.0068507700000000, 0.0842608800000000, 0.1651505600000000 ] - [ -0.0014095100000000, 0.0016126000000000, -0.0013835600000000 ] - [ -0.0002851800000000, -0.0005588400000000, 0.0000860600000000 ] - [ -0.0007381200000000, -0.0007562500000000, -0.0000234600000000 ] - [ -0.0004685900000000, 0.0004038500000000, -0.0004394300000000 ] - [ -0.0002117400000000, 0.0003594200000000, -0.0001366100000000 ] - [ -0.0014980600000000, -0.0012745000000000, -0.0014046300000000 ] - [ -0.0012735600000000, -0.0014554400000000, -0.0013641900000000 ] - [ 0.0005341300000000, -0.0017677700000000, 0.0012815900000000 ] - [ 0.0006937100000000, -0.0012164300000000, 0.0012336800000000 ] - [ 0.0005119800000000, 0.0016257800000000, 0.0011046000000000 ] - [ 0.0006263300000000, 0.0010199500000000, 0.0012127900000000 ] - [ -0.0014717700000000, 0.0013492400000000, -0.0014001000000000 ] - [ -0.0012982100000000, 0.0013414900000000, -0.0013647300000000 ] - [ -0.0001405300000000, 0.0000763200000000, 0.0000072400000000 ] - [ -0.0000703500000000, -0.0000258000000000, -0.0000329900000000 ] - [ -0.0000216000000000, -0.0002366600000000, 0.0000616300000000 ] - [ 0.0005961200000000, 0.0001820200000000, 0.0001872500000000 ] - [ 0.0001306000000000, -0.0003593300000000, -0.0001529100000000 ] - [ -0.0003332000000000, 0.0003145600000000, 0.0001493900000000 ] - [ 0.0000304100000000, 0.0000203100000000, 0.0000005200000000 ] - [ -0.0000665100000000, -0.0000532000000000, 0.0000016700000000 ] - [ 0.0002154800000000, -0.0006588000000000, 0.0010443000000000 ] - [ -0.0004694100000000, 0.0004543100000000, 0.0008265500000000 ] - [ 0.0124947500000000, 0.0063533800000000, 0.0004599200000000 ] - [ 0.0014084000000000, -0.0010323000000000, -0.0006583700000000 ] - [ -0.0025338100000000, 0.0018209000000000, 0.0162783600000000 ] - [ 0.0022056700000000, -0.0082897400000000, 0.0003217500000000 ] - [ -0.0078580300000000, 0.0000872300000000, -0.0014703700000000 ] - [ -0.0011809200000000, -0.0005424900000000, 0.0006594400000000 ] - [ -0.0019889100000000, 0.0008844400000000, 0.0007943200000000 ] - [ -0.0008551700000000, -0.0000157600000000, 0.0007264100000000 ] - [ 0.0002710700000000, 0.0001563200000000, -0.0009219500000000 ] - [ 0.0002299200000000, 0.0002051600000000, -0.0009365700000000 ] - [ 0.0001350800000000, -0.0000432200000000, -0.0009500400000000 ] - [ 0.0003631100000000, -0.0002794000000000, -0.0008956300000000 ] - [ -0.0018807300000000, -0.0002308600000000, 0.0000243300000000 ] - [ -0.0010286700000000, 0.0000921500000000, 0.0006545200000000 ]- atom: 33 displacement: [ 0.0030072416887981, 0.0000000000000000, -0.0095371115871188 ] forces: - [ -0.0004286300000000, -0.0004954800000000, -0.0006884800000000 ] - [ -0.0011522000000000, -0.0008561300000000, -0.0004932700000000 ] - [ 0.0054388200000000, -0.0009515800000000, -0.0013193200000000 ] - [ 0.0016319900000000, -0.0012009600000000, 0.0003678800000000 ] - [ -0.0100147900000000, -0.0073875700000000, -0.0013976100000000 ] - [ 0.0003579000000000, 0.0004254100000000, 0.0010497600000000 ] - [ -0.0003339700000000, 0.0004777600000000, -0.0008868800000000 ] - [ -0.0001597300000000, 0.0003367500000000, -0.0008347100000000 ] - [ -0.0001119500000000, -0.0004823700000000, 0.0010243200000000 ] - [ -0.0003135900000000, -0.0005786700000000, 0.0009500600000000 ] - [ -0.0022602800000000, -0.0000679800000000, -0.0046809000000000 ] - [ 0.0003767500000000, -0.0009117100000000, -0.0011150400000000 ] - [ 0.0004365800000000, -0.0012352300000000, 0.0018088100000000 ] - [ 0.0010028000000000, 0.0003023800000000, 0.0001900300000000 ] - [ -0.0006895800000000, 0.0005623800000000, 0.0003553300000000 ] - [ -0.0002511500000000, 0.0003649800000000, 0.0007681700000000 ] - [ -0.0002679400000000, -0.0082911700000000, 0.0038628900000000 ] - [ -0.0021411400000000, 0.0019549900000000, 0.0064540500000000 ] - [ 0.0036003600000000, 0.0019238300000000, -0.0066911600000000 ] - [ 0.0017734100000000, 0.0002358200000000, -0.0047114000000000 ] - [ 0.0010459200000000, 0.0000779300000000, -0.0037599700000000 ] - [ 0.0008783300000000, -0.0009051900000000, -0.0039588900000000 ] - [ 0.0166288100000000, 0.0011595900000000, -0.0730880600000000 ] - [ -0.0014114500000000, -0.0005650100000000, 0.0038046300000000 ] - [ 0.0006950500000000, -0.0002138700000000, 0.0006238700000000 ] - [ 0.0007838900000000, -0.0256637000000000, -0.0032123700000000 ] - [ -0.0018532900000000, -0.0024845400000000, -0.0007629200000000 ] - [ -0.0015617900000000, -0.0043091000000000, -0.0008373000000000 ] - [ 0.0006526900000000, 0.0028205300000000, -0.0004756300000000 ] - [ -0.0010326900000000, 0.0033858000000000, -0.0007343200000000 ] - [ 0.0051366100000000, 0.0153535400000000, -0.0032369800000000 ] - [ 0.0009859400000000, 0.0010497300000000, -0.0001540100000000 ] - [ -0.0001382800000000, 0.1108824200000000, 0.2761215300000000 ] - [ 0.0014895800000000, -0.0001826800000000, -0.0031852900000000 ] - [ -0.0020920000000000, 0.0008605700000000, 0.0032866400000000 ] - [ -0.0020706900000000, -0.0001018200000000, 0.0032949200000000 ] - [ -0.0009299700000000, 0.0010264300000000, 0.0058624400000000 ] - [ -0.0018363800000000, -0.0005355700000000, 0.0041670700000000 ] - [ 0.0043654200000000, -0.0044886800000000, -0.0094255700000000 ] - [ 0.0025743300000000, 0.0011995400000000, -0.0061358400000000 ] - [ -0.0136357500000000, -0.0071201200000000, -0.0042451600000000 ] - [ -0.0000892100000000, 0.0008109300000000, -0.0004091100000000 ] - [ -0.0028552200000000, 0.0023976500000000, 0.0000989400000000 ] - [ -0.0011392400000000, 0.0001449800000000, 0.0001913000000000 ] - [ 0.0136904700000000, -0.0002403700000000, -0.0017195900000000 ] - [ 0.0001347500000000, -0.0008946300000000, 0.0004765900000000 ] - [ 0.0022263800000000, -0.0013993800000000, -0.0004116300000000 ] - [ 0.0023497500000000, 0.0001350500000000, -0.0001905500000000 ] - [ 0.0003333000000000, -0.0007355200000000, -0.0015086700000000 ] - [ 0.0001508500000000, -0.0003998600000000, -0.0008087200000000 ] - [ -0.0000353500000000, -0.0003424500000000, 0.0007590600000000 ] - [ -0.0002884000000000, -0.0002679800000000, 0.0007595600000000 ] - [ -0.0001701300000000, 0.0002565400000000, 0.0006714900000000 ] - [ -0.0000401000000000, 0.0002830300000000, 0.0007213900000000 ] - [ -0.0024820200000000, 0.0005116100000000, -0.0001393000000000 ] - [ 0.0000505800000000, 0.0002921600000000, -0.0005424400000000 ] - [ 0.0001437400000000, -0.0005891400000000, 0.0003193100000000 ] - [ 0.0000130900000000, -0.0007290400000000, 0.0010154500000000 ] - [ -0.0000175500000000, -0.0003939800000000, -0.0009348400000000 ] - [ -0.0000933600000000, -0.0005139500000000, -0.0010581600000000 ] - [ -0.0000545900000000, 0.0004990400000000, -0.0011599500000000 ] - [ 0.0000038400000000, 0.0003869900000000, -0.0009937400000000 ] - [ -0.0016882300000000, -0.0010728700000000, 0.0002340300000000 ] - [ -0.0001254700000000, 0.0008253500000000, 0.0014063200000000 ] - [ -0.0018228800000000, 0.0004912700000000, 0.0045710100000000 ] - [ -0.0017478900000000, 0.0003946600000000, 0.0045520100000000 ] - [ 0.0013500100000000, 0.0002311500000000, -0.0045094900000000 ] - [ 0.0015973000000000, 0.0004488200000000, -0.0045542600000000 ] - [ 0.0014822400000000, -0.0002784600000000, -0.0045393900000000 ] - [ 0.0016300000000000, -0.0004945900000000, -0.0046079700000000 ] - [ -0.0018016600000000, -0.0004600200000000, 0.0045705600000000 ] - [ -0.0017849700000000, -0.0004353300000000, 0.0045714800000000 ] - [ 0.0009656500000000, -0.0034517200000000, 0.0006990000000000 ] - [ 0.0010141200000000, -0.0035725400000000, 0.0007146900000000 ] - [ -0.0013661400000000, -0.0039414100000000, -0.0008547300000000 ] - [ -0.0013261200000000, -0.0034168700000000, -0.0007942000000000 ] - [ -0.0011951700000000, 0.0039078200000000, -0.0007600100000000 ] - [ -0.0011917500000000, 0.0033605100000000, -0.0007287400000000 ] - [ 0.0009533300000000, 0.0035421200000000, 0.0007004200000000 ] - [ 0.0010016400000000, 0.0034823100000000, 0.0007041800000000 ] - [ 0.0017101500000000, 0.0002890900000000, -0.0041009700000000 ] - [ 0.0017315300000000, 0.0003194600000000, -0.0040935800000000 ] - [ -0.0020248800000000, 0.0005287800000000, 0.0038324700000000 ] - [ -0.0018851300000000, 0.0002680700000000, 0.0040398100000000 ] - [ -0.0019816500000000, -0.0005178800000000, 0.0039013800000000 ] - [ -0.0018676200000000, -0.0003155000000000, 0.0039815700000000 ] - [ 0.0016881900000000, -0.0002548100000000, -0.0041136300000000 ] - [ 0.0017488000000000, -0.0003614000000000, -0.0040616700000000 ] - [ -0.0003338800000000, 0.0007547500000000, -0.0005385600000000 ] - [ -0.0000999700000000, 0.0007750000000000, -0.0004640000000000 ] - [ -0.0006540000000000, 0.0008614400000000, 0.0002465600000000 ] - [ -0.0004916900000000, 0.0007372700000000, 0.0003072700000000 ] - [ -0.0005873200000000, -0.0008777000000000, 0.0002905100000000 ] - [ -0.0004698500000000, -0.0007745600000000, 0.0003051400000000 ] - [ -0.0003562500000000, -0.0007357600000000, -0.0005405900000000 ] - [ -0.0000536000000000, -0.0007990300000000, -0.0004501600000000 ] - [ -0.0028405500000000, 0.0026667400000000, 0.0034830300000000 ] - [ -0.0009162900000000, 0.0002841200000000, 0.0002039900000000 ] - [ 0.0072614100000000, 0.0062716800000000, -0.0029299400000000 ] - [ -0.0004697700000000, 0.0004727200000000, -0.0011037900000000 ] - [ -0.0036278600000000, 0.0018572700000000, 0.0020140100000000 ] - [ -0.0055118100000000, -0.0096990500000000, -0.0015409500000000 ] - [ -0.0076399600000000, -0.0045388800000000, 0.0007127900000000 ] - [ 0.0006928000000000, -0.0010624300000000, 0.0012621900000000 ] - [ 0.0032017400000000, -0.0003284600000000, 0.0012278400000000 ] - [ 0.0023735600000000, 0.0024656300000000, 0.0015130100000000 ] - [ -0.0066074800000000, -0.0749886500000000, -0.1601034900000000 ] - [ -0.0005571400000000, 0.0011275200000000, -0.0012006700000000 ] - [ 0.0002926200000000, -0.0004868000000000, -0.0000914600000000 ] - [ 0.0007527200000000, -0.0002825000000000, 0.0000301800000000 ] - [ 0.0004744500000000, 0.0006445200000000, 0.0004498200000000 ] - [ 0.0002150400000000, 0.0006904600000000, 0.0001350000000000 ] - [ -0.0004654800000000, -0.0014844000000000, -0.0011803300000000 ] - [ -0.0006926000000000, -0.0012992500000000, -0.0012213100000000 ] - [ 0.0014449300000000, -0.0009766700000000, 0.0013081400000000 ] - [ 0.0012848700000000, -0.0015382000000000, 0.0013558300000000 ] - [ 0.0014754200000000, 0.0011238900000000, 0.0014880700000000 ] - [ 0.0013496500000000, 0.0017433200000000, 0.0013755100000000 ] - [ -0.0004893400000000, 0.0014018000000000, -0.0011850400000000 ] - [ -0.0006635900000000, 0.0014171200000000, -0.0012202700000000 ] - [ 0.0001425400000000, -0.0000779300000000, -0.0000070300000000 ] - [ 0.0000705900000000, 0.0000276200000000, 0.0000336200000000 ] - [ 0.0000224700000000, 0.0002394000000000, -0.0000614300000000 ] - [ -0.0006111400000000, -0.0001824400000000, -0.0001875300000000 ] - [ -0.0001332000000000, 0.0003652800000000, 0.0001546800000000 ] - [ 0.0003441600000000, -0.0003279000000000, -0.0001536300000000 ] - [ -0.0000322400000000, -0.0000219600000000, -0.0000005100000000 ] - [ 0.0000682200000000, 0.0000543900000000, -0.0000017300000000 ] - [ -0.0019008700000000, 0.0010903700000000, 0.0004423000000000 ] - [ -0.0012137100000000, -0.0000512200000000, 0.0006556400000000 ] - [ -0.0105702600000000, -0.0062231000000000, -0.0037759000000000 ] - [ 0.0002394800000000, 0.0014605000000000, -0.0008375800000000 ] - [ 0.0040606500000000, -0.0027314000000000, -0.0176168500000000 ] - [ -0.0005665800000000, 0.0079968200000000, -0.0018315400000000 ] - [ 0.0063358900000000, -0.0004989300000000, 0.0030091500000000 ] - [ -0.0004769700000000, 0.0001337400000000, 0.0008342200000000 ] - [ 0.0003475100000000, -0.0004848100000000, 0.0007013400000000 ] - [ -0.0008091100000000, 0.0004320100000000, 0.0007644500000000 ] - [ 0.0014099500000000, 0.0002513400000000, -0.0005622600000000 ] - [ 0.0014471600000000, 0.0002119100000000, -0.0005500400000000 ] - [ 0.0015437800000000, -0.0003723400000000, -0.0005362500000000 ] - [ 0.0013156800000000, -0.0001281200000000, -0.0005889400000000 ] - [ 0.0002427800000000, -0.0001783200000000, 0.0014784000000000 ] - [ -0.0006304900000000, -0.0005067500000000, 0.0008410600000000 ]- atom: 41 displacement: [ 0.0099999367125711, 0.0000000000000000, -0.0000355773041697 ] forces: - [ -0.0006604200000000, -0.0010806300000000, -0.0007200400000000 ] - [ 0.0136741700000000, 0.0081983600000000, -0.0041656100000000 ] - [ 0.0045106700000000, 0.0004844100000000, 0.0014928600000000 ] - [ 0.0021264800000000, -0.0019409400000000, 0.0001450100000000 ] - [ 0.0041814100000000, 0.0035867500000000, 0.0016481400000000 ] - [ -0.0005166100000000, -0.0008397400000000, 0.0014277600000000 ] - [ 0.0015243400000000, 0.0009391500000000, 0.0010067500000000 ] - [ -0.0003809600000000, 0.0003981400000000, -0.0007455500000000 ] - [ -0.0002396000000000, -0.0016043000000000, 0.0010715900000000 ] - [ 0.0016273600000000, 0.0022071800000000, -0.0001330900000000 ] - [ 0.0022729700000000, -0.0005398800000000, -0.0003479000000000 ] - [ 0.0003019900000000, -0.0006511800000000, -0.0010268800000000 ] - [ 0.0014781300000000, 0.0017245400000000, -0.0004748600000000 ] - [ 0.0016535500000000, -0.0022571400000000, 0.0018832100000000 ] - [ 0.0079450500000000, -0.0018662500000000, 0.0083733000000000 ] - [ -0.0002597500000000, 0.0010676800000000, 0.0011150600000000 ] - [ -0.0048117700000000, 0.0035285600000000, 0.0056666000000000 ] - [ -0.0049745500000000, -0.0007538500000000, 0.0058213000000000 ] - [ -0.0067850100000000, -0.0037349800000000, 0.0060396800000000 ] - [ 0.0001011700000000, 0.0005752100000000, -0.0046326700000000 ] - [ -0.0004309500000000, -0.0030575200000000, -0.0058913900000000 ] - [ 0.0021453700000000, 0.0112358800000000, -0.0070446900000000 ] - [ 0.0310644900000000, 0.0215793400000000, -0.0114835700000000 ] - [ -0.0033354800000000, -0.0013884900000000, 0.0040634900000000 ] - [ -0.0007964600000000, 0.0000190400000000, 0.0001888200000000 ] - [ 0.0406077200000000, -0.0341702700000000, 0.0083082900000000 ] - [ -0.0043140400000000, -0.0241415800000000, -0.0010037200000000 ] - [ -0.0027859700000000, 0.0008748700000000, -0.0007250700000000 ] - [ -0.0032958100000000, -0.0015424400000000, -0.0013012800000000 ] - [ -0.0033381300000000, 0.0078460400000000, -0.0013700700000000 ] - [ -0.0023193100000000, -0.0014007100000000, -0.0001138400000000 ] - [ -0.0000088900000000, 0.0049798400000000, 0.0004205600000000 ] - [ 0.0199799700000000, 0.0199924500000000, 0.0159783800000000 ] - [ 0.0000939400000000, -0.0013041800000000, -0.0043064900000000 ] - [ -0.0042483000000000, -0.0022174100000000, 0.0042751600000000 ] - [ -0.0054644500000000, 0.0105868400000000, 0.0056762800000000 ] - [ 0.0024120500000000, -0.0042011300000000, -0.0091259000000000 ] - [ -0.0030882400000000, -0.0003408500000000, 0.0033141400000000 ] - [ 0.0001589800000000, 0.0037363400000000, -0.0066905300000000 ] - [ 0.0000335700000000, -0.0019937600000000, -0.0068438900000000 ] - [ -0.4573946300000000, -0.0551356600000000, -0.0682631200000000 ] - [ -0.0055127300000000, 0.0005992100000000, -0.0019460400000000 ] - [ -0.0134835600000000, 0.0008868500000000, -0.0028495000000000 ] - [ -0.0134723400000000, 0.0022541900000000, -0.0031196400000000 ] - [ -0.0172172500000000, -0.0037034800000000, -0.0055051500000000 ] - [ -0.0059256300000000, -0.0008305600000000, -0.0012057800000000 ] - [ -0.0068176100000000, 0.0001392200000000, -0.0023655600000000 ] - [ -0.0113454900000000, -0.0001680200000000, -0.0041564300000000 ] - [ 0.0038675200000000, 0.0012834300000000, -0.0008760100000000 ] - [ 0.0016258300000000, -0.0000750100000000, -0.0006900300000000 ] - [ 0.0017411300000000, -0.0013722100000000, 0.0006577200000000 ] - [ 0.0051916300000000, -0.0011152900000000, 0.0005914000000000 ] - [ 0.0044233000000000, 0.0024622400000000, 0.0014237900000000 ] - [ 0.0013470200000000, 0.0008039900000000, 0.0008394500000000 ] - [ 0.0027050700000000, -0.0000465900000000, -0.0004934000000000 ] - [ 0.0023737700000000, -0.0013032600000000, -0.0004287200000000 ] - [ 0.0023570000000000, 0.0000894900000000, 0.0021585500000000 ] - [ 0.0008641500000000, -0.0004617100000000, 0.0014167000000000 ] - [ 0.0012119800000000, -0.0017279900000000, -0.0008765200000000 ] - [ 0.0026165500000000, 0.0011769500000000, 0.0008562000000000 ] - [ 0.0024043400000000, 0.0002220500000000, 0.0019283500000000 ] - [ 0.0008795200000000, 0.0010237200000000, -0.0006726200000000 ] - [ 0.0015197100000000, 0.0013249300000000, 0.0021597000000000 ] - [ 0.0012816800000000, -0.0005307800000000, 0.0020441100000000 ] - [ -0.0000582100000000, -0.0001889800000000, 0.0044347400000000 ] - [ -0.0006917600000000, 0.0002858800000000, 0.0046034100000000 ] - [ 0.0029500700000000, 0.0009380400000000, -0.0046344700000000 ] - [ 0.0029185600000000, 0.0005882900000000, -0.0045585300000000 ] - [ 0.0031921300000000, -0.0008704700000000, -0.0046937600000000 ] - [ 0.0027200600000000, -0.0006889400000000, -0.0045832600000000 ] - [ -0.0005850000000000, -0.0003425200000000, 0.0045698000000000 ] - [ -0.0001316500000000, 0.0002900400000000, 0.0044476700000000 ] - [ 0.0027064800000000, -0.0049318100000000, 0.0012027000000000 ] - [ 0.0022836400000000, -0.0035827800000000, 0.0010143100000000 ] - [ 0.0000581800000000, -0.0027118200000000, -0.0003929300000000 ] - [ 0.0004569700000000, -0.0031243600000000, -0.0003525800000000 ] - [ 0.0007663600000000, 0.0025551100000000, -0.0002168600000000 ] - [ -0.0000028300000000, 0.0032329000000000, -0.0004468400000000 ] - [ 0.0026720700000000, 0.0036592100000000, 0.0011133400000000 ] - [ 0.0025018900000000, 0.0048488300000000, 0.0011702600000000 ] - [ 0.0027390900000000, 0.0004652000000000, -0.0034597400000000 ] - [ 0.0030017100000000, 0.0011768900000000, -0.0031310100000000 ] - [ -0.0006399400000000, -0.0001747000000000, 0.0049001400000000 ] - [ -0.0009325600000000, -0.0000465500000000, 0.0046430900000000 ] - [ -0.0007818800000000, 0.0003214300000000, 0.0047902300000000 ] - [ -0.0007403700000000, -0.0001348100000000, 0.0046777400000000 ] - [ 0.0031016100000000, -0.0010443300000000, -0.0030768000000000 ] - [ 0.0026790200000000, -0.0005596200000000, -0.0035222300000000 ] - [ 0.0037792700000000, 0.0008888900000000, 0.0006089400000000 ] - [ 0.0037788200000000, 0.0011341600000000, 0.0006069600000000 ] - [ 0.0040149600000000, 0.0004995000000000, 0.0015576700000000 ] - [ 0.0028549100000000, 0.0006447900000000, 0.0012313700000000 ] - [ 0.0030813200000000, -0.0005475400000000, 0.0012963700000000 ] - [ 0.0038763000000000, -0.0006381100000000, 0.0015139400000000 ] - [ 0.0043012100000000, -0.0011187700000000, 0.0007574900000000 ] - [ 0.0033716400000000, -0.0008775800000000, 0.0004941500000000 ] - [ -0.0065549000000000, -0.0009004400000000, -0.0007352500000000 ] - [ -0.0021866000000000, 0.0002822500000000, -0.0000525400000000 ] - [ -0.0049727200000000, -0.0021024400000000, -0.0005456000000000 ] - [ -0.0019417800000000, 0.0039077200000000, -0.0027086800000000 ] - [ 0.0064379200000000, -0.0061064200000000, 0.0008220300000000 ] - [ 0.0117666600000000, 0.0016529800000000, 0.0020839200000000 ] - [ 0.0180839800000000, 0.0140569100000000, 0.0071045400000000 ] - [ 0.0075129600000000, -0.0036459000000000, 0.0028171400000000 ] - [ 0.0171339900000000, 0.0142449600000000, 0.0039442600000000 ] - [ 0.0145044800000000, -0.0120748300000000, 0.0028407100000000 ] - [ 0.2999246800000000, 0.0391472400000000, 0.0321573100000000 ] - [ 0.0053849800000000, 0.0010410700000000, 0.0002791900000000 ] - [ -0.0009095900000000, 0.0016188100000000, -0.0000464700000000 ] - [ -0.0089483400000000, -0.0058826600000000, 0.0001240700000000 ] - [ -0.0060118300000000, -0.0019849700000000, -0.0054074800000000 ] - [ -0.0007163900000000, -0.0002450200000000, -0.0002798100000000 ] - [ -0.0053490900000000, -0.0005340400000000, -0.0022808600000000 ] - [ -0.0044406800000000, -0.0018483400000000, -0.0020857400000000 ] - [ -0.0025224000000000, -0.0020125700000000, 0.0004595500000000 ] - [ -0.0033999600000000, -0.0009729700000000, 0.0003138300000000 ] - [ -0.0034419400000000, 0.0018512300000000, 0.0003381300000000 ] - [ -0.0023288600000000, 0.0013725500000000, 0.0005013800000000 ] - [ -0.0048556000000000, 0.0019582200000000, -0.0021483600000000 ] - [ -0.0047910300000000, 0.0002777400000000, -0.0021417700000000 ] - [ -0.0012781500000000, 0.0013318100000000, 0.0004857400000000 ] - [ -0.0000626600000000, -0.0005594100000000, -0.0002967600000000 ] - [ -0.0003531000000000, -0.0003798600000000, 0.0000981500000000 ] - [ -0.0019852500000000, 0.0003235600000000, -0.0008655900000000 ] - [ -0.0001287300000000, -0.0001929800000000, -0.0001439900000000 ] - [ -0.0007457300000000, 0.0005567400000000, 0.0000413700000000 ] - [ -0.0002292800000000, 0.0005602500000000, -0.0003533900000000 ] - [ -0.0005193100000000, -0.0007426500000000, 0.0001742300000000 ] - [ 0.0042062900000000, 0.0035221000000000, 0.0026465200000000 ] - [ 0.0051366600000000, -0.0085154600000000, 0.0044850700000000 ] - [ 0.0051858100000000, -0.0034422200000000, 0.0040004400000000 ] - [ 0.0054521300000000, 0.0017872700000000, 0.0006392200000000 ] - [ 0.0063560800000000, -0.0187465100000000, 0.0004312600000000 ] - [ 0.0078390700000000, 0.0234808300000000, 0.0008639500000000 ] - [ 0.0451706000000000, 0.0006685800000000, 0.0175794300000000 ] - [ 0.0036500800000000, -0.0009734100000000, 0.0021012700000000 ] - [ -0.0075716300000000, 0.0001042000000000, -0.0016259000000000 ] - [ -0.0056139000000000, 0.0007272500000000, -0.0005530000000000 ] - [ -0.0036298600000000, 0.0008703100000000, -0.0022800900000000 ] - [ -0.0060819000000000, -0.0010770100000000, -0.0028416000000000 ] - [ -0.0064097300000000, 0.0006599000000000, -0.0029721100000000 ] - [ -0.0032217300000000, -0.0002454000000000, -0.0019545900000000 ] - [ -0.0067905300000000, -0.0012570300000000, -0.0008892000000000 ] - [ -0.0060748300000000, 0.0001635100000000, -0.0010860800000000 ]- atom: 41 displacement: [ -0.0099999367125711, 0.0000000000000000, 0.0000355773041697 ] forces: - [ 0.0003130000000000, 0.0002893800000000, -0.0007628900000000 ] - [ -0.0138860100000000, -0.0089010900000000, 0.0026407300000000 ] - [ -0.0041500500000000, -0.0012682000000000, -0.0000098700000000 ] - [ -0.0017832100000000, 0.0011551100000000, 0.0013353500000000 ] - [ -0.0038267800000000, -0.0027928000000000, -0.0001606100000000 ] - [ 0.0008596000000000, 0.0016216800000000, 0.0000563700000000 ] - [ -0.0018703300000000, -0.0001408600000000, -0.0024680900000000 ] - [ 0.0000388100000000, 0.0003869900000000, -0.0007371700000000 ] - [ -0.0000229900000000, 0.0006852200000000, 0.0007662200000000 ] - [ -0.0018758300000000, -0.0031003700000000, 0.0019589400000000 ] - [ -0.0020110800000000, -0.0003704700000000, -0.0014860600000000 ] - [ -0.0000407700000000, -0.0002695400000000, -0.0008163700000000 ] - [ -0.0012223200000000, -0.0008005700000000, -0.0013717300000000 ] - [ -0.0013961200000000, 0.0031787400000000, -0.0037336400000000 ] - [ -0.0081119500000000, 0.0027406400000000, -0.0064651300000000 ] - [ -0.0000010600000000, -0.0001465200000000, 0.0007273600000000 ] - [ 0.0014933700000000, -0.0026983900000000, 0.0034694900000000 ] - [ 0.0016742500000000, 0.0015494300000000, 0.0033055300000000 ] - [ 0.0099568300000000, 0.0045399800000000, -0.0151982000000000 ] - [ 0.0032054700000000, 0.0002398100000000, -0.0044925000000000 ] - [ 0.0037272500000000, 0.0022255500000000, -0.0032424600000000 ] - [ 0.0011352500000000, -0.0119610200000000, -0.0021205900000000 ] - [ -0.0346508000000000, -0.0226458600000000, 0.0207722300000000 ] - [ 0.0000223100000000, 0.0005707700000000, 0.0050630900000000 ] - [ 0.0030573900000000, -0.0071673300000000, 0.0012984100000000 ] - [ -0.0389814800000000, 0.0274215400000000, -0.0069504500000000 ] - [ 0.0019858900000000, 0.0168018400000000, -0.0004980000000000 ] - [ 0.0005044100000000, -0.0080307400000000, -0.0007648900000000 ] - [ 0.0010095800000000, 0.0086990000000000, -0.0002014600000000 ] - [ 0.0010635600000000, -0.0006714100000000, -0.0001210600000000 ] - [ 0.0045914400000000, 0.0085561500000000, 0.0016181200000000 ] - [ 0.0022744400000000, 0.0021913000000000, 0.0010687600000000 ] - [ -0.0163842400000000, -0.0194374200000000, -0.0241826000000000 ] - [ 0.0035640200000000, 0.0020065900000000, -0.0037360300000000 ] - [ 0.0005716700000000, 0.0029039200000000, 0.0037657200000000 ] - [ 0.0017319200000000, -0.0098125400000000, 0.0023654800000000 ] - [ -0.0060018800000000, 0.0034620200000000, 0.0169714000000000 ] - [ -0.0005751500000000, -0.0003637200000000, 0.0047220000000000 ] - [ 0.0034966400000000, -0.0044270900000000, -0.0013563100000000 ] - [ 0.0036278800000000, 0.0012805800000000, -0.0011826200000000 ] - [ 0.4789417300000000, 0.0608654500000000, 0.0701511500000000 ] - [ 0.0058468100000000, 0.0009784100000000, 0.0011603800000000 ] - [ 0.0130681600000000, 0.0007396000000000, 0.0036135600000000 ] - [ 0.0130807600000000, -0.0007170100000000, 0.0038895900000000 ] - [ 0.0167781900000000, 0.0021288800000000, 0.0062925800000000 ] - [ 0.0055563200000000, -0.0007509100000000, 0.0019824000000000 ] - [ 0.0071510300000000, -0.0017130800000000, 0.0015784700000000 ] - [ 0.0116641200000000, -0.0014284000000000, 0.0033631000000000 ] - [ -0.0041845700000000, -0.0020590900000000, -0.0006077100000000 ] - [ -0.0019543500000000, -0.0007056100000000, -0.0007951700000000 ] - [ -0.0014031600000000, 0.0005837500000000, 0.0008242600000000 ] - [ -0.0048226000000000, 0.0003311200000000, 0.0008876800000000 ] - [ -0.0040665700000000, -0.0016658200000000, 0.0000659300000000 ] - [ -0.0010127100000000, -0.0000219700000000, 0.0006450800000000 ] - [ -0.0030293300000000, 0.0008282900000000, -0.0009841300000000 ] - [ -0.0027022700000000, 0.0020876100000000, -0.0010542600000000 ] - [ -0.0026067400000000, -0.0010094900000000, -0.0003077400000000 ] - [ -0.0011069600000000, -0.0004562200000000, 0.0004350600000000 ] - [ -0.0009659200000000, 0.0008137800000000, -0.0009670800000000 ] - [ -0.0023441500000000, -0.0020789900000000, -0.0026906200000000 ] - [ -0.0021339400000000, 0.0006898900000000, -0.0037468500000000 ] - [ -0.0006272300000000, -0.0001013700000000, -0.0011764700000000 ] - [ -0.0017673700000000, -0.0003997200000000, -0.0003051400000000 ] - [ -0.0015234200000000, 0.0014376100000000, -0.0002022000000000 ] - [ -0.0032489500000000, 0.0010018600000000, 0.0046911100000000 ] - [ -0.0026212600000000, 0.0005337800000000, 0.0045246100000000 ] - [ 0.0003699600000000, -0.0001158800000000, -0.0044912000000000 ] - [ 0.0004016500000000, 0.0002313300000000, -0.0045674800000000 ] - [ 0.0001289000000000, 0.0000510400000000, -0.0044336300000000 ] - [ 0.0006014500000000, -0.0001310100000000, -0.0045456500000000 ] - [ -0.0027257500000000, -0.0004747700000000, 0.0045568200000000 ] - [ -0.0031759400000000, -0.0011055700000000, 0.0046763600000000 ] - [ -0.0004334900000000, -0.0022350100000000, 0.0002876200000000 ] - [ -0.0000164000000000, -0.0035805200000000, 0.0004740900000000 ] - [ -0.0023178000000000, -0.0044465200000000, -0.0010934800000000 ] - [ -0.0027148400000000, -0.0040400900000000, -0.0011336400000000 ] - [ -0.0030242100000000, 0.0045992900000000, -0.0012694600000000 ] - [ -0.0022536800000000, 0.0039262900000000, -0.0010389800000000 ] - [ -0.0004010800000000, 0.0035052700000000, 0.0003758600000000 ] - [ -0.0002301900000000, 0.0023212700000000, 0.0003190300000000 ] - [ 0.0009218000000000, 0.0002357800000000, -0.0045814900000000 ] - [ 0.0006598500000000, -0.0004740800000000, -0.0049065300000000 ] - [ -0.0030126400000000, 0.0008728900000000, 0.0031457200000000 ] - [ -0.0027197300000000, 0.0007436600000000, 0.0034057000000000 ] - [ -0.0028703800000000, -0.0010179900000000, 0.0032539900000000 ] - [ -0.0029121400000000, -0.0005632900000000, 0.0033671700000000 ] - [ 0.0005616400000000, 0.0003394400000000, -0.0049619300000000 ] - [ 0.0009809800000000, -0.0001393600000000, -0.0045199800000000 ] - [ -0.0034116200000000, 0.0006911600000000, -0.0013859300000000 ] - [ -0.0034134900000000, 0.0004454000000000, -0.0013841100000000 ] - [ -0.0043529400000000, 0.0010773800000000, -0.0007732900000000 ] - [ -0.0031990300000000, 0.0009336300000000, -0.0004479600000000 ] - [ -0.0034227600000000, -0.0010287800000000, -0.0005123200000000 ] - [ -0.0042139700000000, -0.0009405000000000, -0.0007291000000000 ] - [ -0.0039307100000000, -0.0004618000000000, -0.0015334000000000 ] - [ -0.0030017400000000, -0.0007013200000000, -0.0012704200000000 ] - [ 0.0065230600000000, -0.0001365000000000, 0.0007280000000000 ] - [ 0.0021815300000000, -0.0013254400000000, 0.0000508400000000 ] - [ 0.0049457500000000, 0.0031348800000000, 0.0005394900000000 ] - [ 0.0019334200000000, -0.0028641500000000, 0.0027104800000000 ] - [ -0.0083859500000000, 0.0033281500000000, -0.0034072600000000 ] - [ -0.0137458700000000, -0.0043521400000000, -0.0046980700000000 ] - [ -0.0159749900000000, -0.0167530600000000, -0.0044244600000000 ] - [ -0.0055202500000000, 0.0008904400000000, -0.0002250300000000 ] - [ -0.0150227300000000, -0.0114623700000000, -0.0013334400000000 ] - [ -0.0124031200000000, 0.0148321700000000, -0.0002198600000000 ] - [ -0.3253323800000000, -0.0406131600000000, -0.0384375900000000 ] - [ -0.0073359100000000, 0.0017051500000000, -0.0028614400000000 ] - [ 0.0009165600000000, -0.0026527000000000, 0.0000477300000000 ] - [ 0.0088892400000000, 0.0047856100000000, -0.0001113400000000 ] - [ 0.0059823100000000, 0.0030108700000000, 0.0053613800000000 ] - [ 0.0007235200000000, 0.0012865000000000, 0.0002828600000000 ] - [ 0.0033647000000000, -0.0022148300000000, -0.0003070900000000 ] - [ 0.0024639500000000, -0.0009131400000000, -0.0005007100000000 ] - [ 0.0044747100000000, -0.0007425600000000, 0.0021218900000000 ] - [ 0.0053490300000000, -0.0017790900000000, 0.0022669100000000 ] - [ 0.0053929200000000, 0.0009058600000000, 0.0022431100000000 ] - [ 0.0042810600000000, 0.0013837400000000, 0.0020788900000000 ] - [ 0.0028763200000000, 0.0008005400000000, -0.0004389300000000 ] - [ 0.0028133100000000, 0.0024710900000000, -0.0004449300000000 ] - [ 0.0012695100000000, -0.0013183100000000, -0.0004802600000000 ] - [ 0.0000659100000000, 0.0005553600000000, 0.0002950600000000 ] - [ 0.0003501500000000, 0.0003782400000000, -0.0000966200000000 ] - [ 0.0019959100000000, -0.0003212300000000, 0.0008702400000000 ] - [ 0.0001270200000000, 0.0001930900000000, 0.0001415700000000 ] - [ 0.0007421500000000, -0.0005546000000000, -0.0000414000000000 ] - [ 0.0002305500000000, -0.0005568600000000, 0.0003514900000000 ] - [ 0.0005193300000000, 0.0007390100000000, -0.0001733500000000 ] - [ -0.0058677700000000, -0.0031125100000000, -0.0011519400000000 ] - [ -0.0067269500000000, 0.0088967700000000, -0.0029602400000000 ] - [ -0.0035301100000000, 0.0038054300000000, -0.0055251000000000 ] - [ -0.0037619200000000, -0.0013643200000000, -0.0021211700000000 ] - [ -0.0047027100000000, 0.0182764900000000, -0.0019172700000000 ] - [ -0.0062141900000000, -0.0239073800000000, -0.0023544400000000 ] - [ -0.0437478200000000, -0.0009858200000000, -0.0147957100000000 ] - [ -0.0053147800000000, 0.0005607600000000, -0.0006127700000000 ] - [ 0.0058514800000000, 0.0003099800000000, 0.0030998000000000 ] - [ 0.0039003800000000, -0.0003138500000000, 0.0020283500000000 ] - [ 0.0053174600000000, -0.0004532700000000, 0.0007972500000000 ] - [ 0.0077456700000000, 0.0014825800000000, 0.0013517000000000 ] - [ 0.0080705400000000, -0.0010649500000000, 0.0014818600000000 ] - [ 0.0049082500000000, -0.0001677400000000, 0.0004722900000000 ] - [ 0.0050729500000000, 0.0008425000000000, 0.0023618100000000 ] - [ 0.0043585200000000, -0.0005752200000000, 0.0025610800000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002145800000000, -0.0001020100000000, -0.0008487500000000 ] - [ -0.0000220400000000, -0.0007114200000000, -0.0005514800000000 ] - [ 0.0027322300000000, -0.0008530200000000, 0.0009202200000000 ] - [ -0.0012962300000000, 0.0006692600000000, 0.0010195400000000 ] - [ 0.0022984200000000, 0.0017832900000000, 0.0013229800000000 ] - [ -0.0001073500000000, 0.0006371800000000, 0.0004312300000000 ] - [ 0.0005496700000000, -0.0003634700000000, -0.0007361500000000 ] - [ -0.0006573300000000, 0.0008864800000000, -0.0006686200000000 ] - [ -0.0003826900000000, -0.0003681500000000, 0.0007457900000000 ] - [ 0.0004274400000000, -0.0004298200000000, 0.0011410900000000 ] - [ 0.0011477300000000, -0.0014077900000000, -0.0005612300000000 ] - [ -0.0001526500000000, 0.0001618700000000, -0.0007906000000000 ] - [ 0.0009392200000000, 0.0010901300000000, -0.0006437400000000 ] - [ -0.0008854400000000, 0.0009750900000000, -0.0022033400000000 ] - [ 0.0005219100000000, -0.0001516900000000, 0.0013356500000000 ] - [ -0.0001100300000000, 0.0008555400000000, 0.0011188800000000 ] - [ -0.0021296600000000, 0.0018276300000000, 0.0053292400000000 ] - [ -0.0018493800000000, 0.0006312200000000, 0.0032315400000000 ] - [ 0.0001304600000000, -0.0024761300000000, -0.0048816100000000 ] - [ 0.0017736600000000, 0.0013129400000000, -0.0046737600000000 ] - [ 0.0005825700000000, 0.0009124800000000, -0.0040311100000000 ] - [ 0.0071374500000000, 0.0035963300000000, -0.0058531600000000 ] - [ 0.0194125800000000, 0.0000118100000000, -0.0037451000000000 ] - [ -0.0016909700000000, 0.0010095900000000, 0.0044987200000000 ] - [ 0.0006783500000000, -0.0007312400000000, 0.0006197200000000 ] - [ -0.0262108900000000, 0.0007602200000000, -0.0031618600000000 ] - [ -0.0048672200000000, -0.0028226100000000, -0.0021295800000000 ] - [ -0.0001511100000000, -0.0005089500000000, -0.0002480400000000 ] - [ -0.0018502500000000, 0.0032328000000000, -0.0009279300000000 ] - [ -0.0012371200000000, 0.0048131600000000, -0.0007895500000000 ] - [ 0.0000495500000000, -0.0006511700000000, 0.0002640500000000 ] - [ 0.0014663600000000, 0.0059035500000000, 0.0008742400000000 ] - [ 0.0194622800000000, 0.0021650200000000, 0.0097146600000000 ] - [ 0.0019058600000000, 0.0019454700000000, -0.0040142100000000 ] - [ -0.0025418400000000, 0.0017947600000000, 0.0031246400000000 ] - [ 0.0002831700000000, 0.0014717000000000, 0.0063559000000000 ] - [ -0.0028924100000000, -0.0029255600000000, 0.0031125100000000 ] - [ -0.0017541100000000, 0.0006206100000000, 0.0041494300000000 ] - [ 0.0018367800000000, 0.0011068000000000, -0.0046510300000000 ] - [ 0.0011821200000000, -0.0000973900000000, -0.0032652900000000 ] - [ -0.0581393400000000, -0.0667010300000000, -0.0078816900000000 ] - [ -0.0000214000000000, 0.0016640600000000, -0.0004429600000000 ] - [ -0.0016664000000000, 0.0036109500000000, -0.0001014200000000 ] - [ -0.0002545700000000, 0.0036501200000000, 0.0005041000000000 ] - [ -0.0030977300000000, -0.0015147700000000, 0.0000680600000000 ] - [ -0.0002143700000000, -0.0002105200000000, 0.0003402200000000 ] - [ -0.0007546200000000, -0.0000485000000000, -0.0006560200000000 ] - [ -0.0004582400000000, -0.0011835000000000, -0.0005003800000000 ] - [ 0.0007656500000000, -0.0003729200000000, -0.0006584700000000 ] - [ -0.0004853300000000, -0.0002584800000000, -0.0007499300000000 ] - [ 0.0000399500000000, -0.0002362000000000, 0.0007526900000000 ] - [ 0.0006687100000000, -0.0006688400000000, 0.0007421000000000 ] - [ 0.0004252000000000, 0.0003247700000000, 0.0007841200000000 ] - [ 0.0002737300000000, 0.0006025200000000, 0.0007333100000000 ] - [ 0.0008814400000000, 0.0000971100000000, -0.0007363500000000 ] - [ -0.0007398800000000, 0.0007635500000000, -0.0008793600000000 ] - [ 0.0001356100000000, -0.0012700600000000, 0.0015022200000000 ] - [ -0.0002340700000000, 0.0000130700000000, 0.0007196700000000 ] - [ 0.0000334800000000, -0.0003889600000000, -0.0009754200000000 ] - [ 0.0004168400000000, -0.0004882400000000, -0.0007131500000000 ] - [ 0.0002754400000000, 0.0001732700000000, -0.0006874700000000 ] - [ 0.0001887800000000, 0.0007246600000000, -0.0009311400000000 ] - [ 0.0004612400000000, 0.0008934300000000, 0.0014192800000000 ] - [ -0.0003485500000000, 0.0002943500000000, 0.0004331700000000 ] - [ -0.0015288300000000, 0.0002719100000000, 0.0045379100000000 ] - [ -0.0016278200000000, 0.0004977500000000, 0.0045816000000000 ] - [ 0.0018491600000000, 0.0005246600000000, -0.0046072300000000 ] - [ 0.0016270000000000, 0.0003621400000000, -0.0045449200000000 ] - [ 0.0018406900000000, -0.0006108700000000, -0.0045932800000000 ] - [ 0.0016302300000000, -0.0002626400000000, -0.0045209200000000 ] - [ -0.0015917500000000, -0.0003632800000000, 0.0045663900000000 ] - [ -0.0015613100000000, -0.0004058000000000, 0.0045466400000000 ] - [ 0.0012190500000000, -0.0037454100000000, 0.0007747300000000 ] - [ 0.0012139800000000, -0.0034978100000000, 0.0007618100000000 ] - [ -0.0009664000000000, -0.0032118200000000, -0.0006801300000000 ] - [ -0.0011272000000000, -0.0038566800000000, -0.0007599200000000 ] - [ -0.0011306700000000, 0.0032261700000000, -0.0007213400000000 ] - [ -0.0010701500000000, 0.0038578000000000, -0.0007469800000000 ] - [ 0.0011622400000000, 0.0035200300000000, 0.0007471600000000 ] - [ 0.0012648400000000, 0.0037244300000000, 0.0007875500000000 ] - [ 0.0018960100000000, 0.0004140100000000, -0.0039826400000000 ] - [ 0.0018928000000000, 0.0003475700000000, -0.0039604100000000 ] - [ -0.0016976800000000, 0.0001218400000000, 0.0041347000000000 ] - [ -0.0018309000000000, 0.0005134500000000, 0.0039650500000000 ] - [ -0.0017083400000000, -0.0002342900000000, 0.0041467700000000 ] - [ -0.0018426700000000, -0.0003834000000000, 0.0039972800000000 ] - [ 0.0019260200000000, -0.0005100100000000, -0.0039316800000000 ] - [ 0.0018612400000000, -0.0002492500000000, -0.0040181600000000 ] - [ 0.0005194800000000, 0.0008037300000000, -0.0002888000000000 ] - [ 0.0002728100000000, 0.0008017700000000, -0.0003704100000000 ] - [ 0.0001127100000000, 0.0006832100000000, 0.0004729900000000 ] - [ -0.0000294700000000, 0.0008693000000000, 0.0004279300000000 ] - [ 0.0000685800000000, -0.0007103100000000, 0.0004555000000000 ] - [ -0.0000244300000000, -0.0008243200000000, 0.0004394100000000 ] - [ 0.0005033400000000, -0.0008690500000000, -0.0002941700000000 ] - [ 0.0002663700000000, -0.0007377000000000, -0.0003723300000000 ] - [ -0.0024533000000000, 0.0011481900000000, -0.0005340600000000 ] - [ 0.0009517300000000, -0.0016712200000000, -0.0000551800000000 ] - [ -0.0023304200000000, -0.0005676500000000, -0.0002057500000000 ] - [ 0.0008556600000000, 0.0001047400000000, 0.0010886300000000 ] - [ -0.0003718600000000, -0.0045723800000000, -0.0012878600000000 ] - [ 0.0013658000000000, 0.0013022700000000, -0.0001345700000000 ] - [ 0.0049865000000000, 0.0012894700000000, 0.0021963900000000 ] - [ 0.0010103600000000, -0.0034019000000000, 0.0012839100000000 ] - [ 0.0047179600000000, -0.0028654000000000, 0.0021751100000000 ] - [ -0.0021773100000000, -0.0042376000000000, -0.0008363400000000 ] - [ 0.0464906400000000, 0.0604526000000000, 0.0056955400000000 ] - [ -0.0004553300000000, -0.0018453800000000, -0.0012239900000000 ] - [ 0.0002710300000000, -0.0008054400000000, 0.0001438700000000 ] - [ -0.0010606500000000, -0.0002990400000000, -0.0002616400000000 ] - [ -0.0005898600000000, 0.0011154500000000, -0.0000992400000000 ] - [ 0.0001633700000000, -0.0001878600000000, -0.0001814700000000 ] - [ -0.0012683600000000, -0.0011143500000000, -0.0013553700000000 ] - [ -0.0011472800000000, -0.0016083100000000, -0.0013300600000000 ] - [ 0.0007007600000000, -0.0017082700000000, 0.0012355100000000 ] - [ 0.0008710100000000, -0.0011702500000000, 0.0012664700000000 ] - [ 0.0007152200000000, 0.0018346100000000, 0.0012325800000000 ] - [ 0.0007813300000000, 0.0009487600000000, 0.0012563600000000 ] - [ -0.0012783800000000, 0.0013885600000000, -0.0013593900000000 ] - [ -0.0011526700000000, 0.0013314200000000, -0.0013288300000000 ] - [ 0.0001672900000000, 0.0001736800000000, 0.0001432100000000 ] - [ -0.0001469400000000, -0.0000968200000000, -0.0000918100000000 ] - [ -0.0001835500000000, -0.0003202700000000, 0.0001126600000000 ] - [ 0.0007383900000000, 0.0002864800000000, 0.0001980900000000 ] - [ 0.0000389400000000, -0.0002717700000000, -0.0001240400000000 ] - [ -0.0001007700000000, 0.0003768300000000, 0.0001734000000000 ] - [ 0.0001186300000000, 0.0001036000000000, -0.0000197200000000 ] - [ -0.0001441000000000, -0.0001474000000000, 0.0000254500000000 ] - [ 0.0006373400000000, -0.0013958900000000, 0.0011245000000000 ] - [ -0.0033157400000000, 0.0021384300000000, 0.0009196100000000 ] - [ -0.0005891800000000, 0.0022079800000000, -0.0015693400000000 ] - [ 0.0013847700000000, -0.0026758500000000, -0.0004932400000000 ] - [ -0.0024239600000000, -0.0076870400000000, -0.0012525100000000 ] - [ 0.0047209300000000, -0.0090687300000000, 0.0005706500000000 ] - [ -0.0020349600000000, 0.0099890800000000, -0.0000148700000000 ] - [ -0.0007251600000000, -0.0036460500000000, 0.0008034100000000 ] - [ -0.0016751800000000, 0.0008597600000000, 0.0005554400000000 ] - [ -0.0006556000000000, -0.0002778500000000, 0.0007118100000000 ] - [ 0.0006767000000000, 0.0000391200000000, -0.0007400400000000 ] - [ 0.0003370200000000, 0.0003228500000000, -0.0009461700000000 ] - [ 0.0003270300000000, 0.0001537100000000, -0.0008500600000000 ] - [ 0.0006689100000000, -0.0005200700000000, -0.0008479300000000 ] - [ -0.0018297100000000, -0.0004054300000000, 0.0004122000000000 ] - [ -0.0006420900000000, -0.0001109000000000, 0.0008494600000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001400300000000, -0.0006935700000000, -0.0006340800000000 ] - [ -0.0003452500000000, -0.0000909900000000, -0.0009262600000000 ] - [ -0.0023639000000000, 0.0000560700000000, 0.0005601000000000 ] - [ 0.0016591300000000, -0.0014675300000000, 0.0004549800000000 ] - [ -0.0019357200000000, -0.0009872800000000, 0.0001621500000000 ] - [ 0.0004573600000000, 0.0001499100000000, 0.0010536700000000 ] - [ -0.0008972300000000, 0.0011561100000000, -0.0007433000000000 ] - [ 0.0003039100000000, -0.0000939500000000, -0.0008112000000000 ] - [ 0.0001299300000000, -0.0005246700000000, 0.0010830700000000 ] - [ -0.0006846900000000, -0.0004822200000000, 0.0006949300000000 ] - [ -0.0008871600000000, 0.0005018400000000, -0.0012725300000000 ] - [ 0.0004044300000000, -0.0010542700000000, -0.0010390700000000 ] - [ -0.0006932300000000, -0.0001802800000000, -0.0012007500000000 ] - [ 0.0011634100000000, -0.0000487500000000, 0.0003596100000000 ] - [ -0.0007873000000000, 0.0010652100000000, 0.0004881800000000 ] - [ -0.0001507100000000, 0.0000494200000000, 0.0007137600000000 ] - [ -0.0011834100000000, -0.0010131800000000, 0.0037953300000000 ] - [ -0.0014638500000000, 0.0001841200000000, 0.0058873000000000 ] - [ 0.0031776200000000, 0.0033015500000000, -0.0042495700000000 ] - [ 0.0015313800000000, -0.0005020100000000, -0.0044460400000000 ] - [ 0.0027270400000000, -0.0017288300000000, -0.0050931500000000 ] - [ -0.0037655400000000, -0.0043669200000000, -0.0032868300000000 ] - [ -0.0228974400000000, -0.0007860200000000, 0.0129844900000000 ] - [ -0.0016167600000000, -0.0018220800000000, 0.0046204000000000 ] - [ 0.0015814300000000, -0.0064285600000000, 0.0008697500000000 ] - [ 0.0282916800000000, -0.0079359100000000, 0.0046271700000000 ] - [ 0.0026438500000000, -0.0043516800000000, 0.0006527500000000 ] - [ -0.0021130300000000, -0.0066490100000000, -0.0012414200000000 ] - [ -0.0004139500000000, 0.0039277700000000, -0.0005626200000000 ] - [ -0.0010254400000000, 0.0023509800000000, -0.0007004900000000 ] - [ 0.0022099000000000, 0.0078117600000000, 0.0012240500000000 ] - [ 0.0007996600000000, 0.0012603500000000, 0.0006161600000000 ] - [ -0.0159426900000000, -0.0014050500000000, -0.0179258400000000 ] - [ 0.0017519100000000, -0.0012381600000000, -0.0040166900000000 ] - [ -0.0011165300000000, -0.0010934000000000, 0.0049134600000000 ] - [ -0.0039178700000000, -0.0007505000000000, 0.0016978700000000 ] - [ -0.0007657700000000, 0.0022247500000000, 0.0049251500000000 ] - [ -0.0019073700000000, -0.0013316600000000, 0.0038804600000000 ] - [ 0.0018207200000000, -0.0018101200000000, -0.0033902400000000 ] - [ 0.0024763800000000, -0.0006094100000000, -0.0047723600000000 ] - [ 0.0577937800000000, 0.0673622000000000, 0.0070688000000000 ] - [ 0.0003565200000000, -0.0000880100000000, -0.0003435900000000 ] - [ 0.0013112000000000, -0.0020672300000000, 0.0008862600000000 ] - [ -0.0001064200000000, -0.0020282200000000, 0.0002797700000000 ] - [ 0.0027393800000000, -0.0000630000000000, 0.0007049600000000 ] - [ -0.0001323200000000, -0.0013671000000000, 0.0004432800000000 ] - [ 0.0010962000000000, -0.0015308300000000, -0.0001294200000000 ] - [ 0.0008022400000000, -0.0003913400000000, -0.0002841500000000 ] - [ -0.0011177300000000, -0.0004158100000000, -0.0008258200000000 ] - [ 0.0001260800000000, -0.0005362800000000, -0.0007334700000000 ] - [ 0.0003165500000000, -0.0005598500000000, 0.0007274600000000 ] - [ -0.0003166300000000, -0.0001247500000000, 0.0007393100000000 ] - [ -0.0000718800000000, 0.0004676100000000, 0.0006994100000000 ] - [ 0.0000839300000000, 0.0001919500000000, 0.0007492500000000 ] - [ -0.0012412200000000, 0.0006996500000000, -0.0007384100000000 ] - [ 0.0003813100000000, 0.0000354400000000, -0.0005990700000000 ] - [ -0.0004118800000000, 0.0003429900000000, 0.0003419800000000 ] - [ -0.0000115500000000, -0.0009212800000000, 0.0011226700000000 ] - [ 0.0002300900000000, -0.0005201800000000, -0.0008514200000000 ] - [ -0.0001545400000000, -0.0004213600000000, -0.0011206900000000 ] - [ -0.0000181700000000, 0.0007229100000000, -0.0011401700000000 ] - [ 0.0000698000000000, 0.0001841900000000, -0.0009028500000000 ] - [ -0.0007106800000000, 0.0000003200000000, 0.0004138500000000 ] - [ 0.0000907800000000, 0.0006118200000000, 0.0014020600000000 ] - [ -0.0017786000000000, 0.0005393900000000, 0.0045841700000000 ] - [ -0.0016803900000000, 0.0003173400000000, 0.0045426000000000 ] - [ 0.0014576200000000, 0.0002908300000000, -0.0045124600000000 ] - [ 0.0016805900000000, 0.0004519500000000, -0.0045773500000000 ] - [ 0.0014668200000000, -0.0002017600000000, -0.0045297800000000 ] - [ 0.0016799300000000, -0.0005523400000000, -0.0046036300000000 ] - [ -0.0017143700000000, -0.0004471300000000, 0.0045552000000000 ] - [ -0.0017471800000000, -0.0004112300000000, 0.0045746500000000 ] - [ 0.0010487800000000, -0.0034110700000000, 0.0007161000000000 ] - [ 0.0010489700000000, -0.0036699400000000, 0.0007286400000000 ] - [ -0.0012990300000000, -0.0039483900000000, -0.0008100700000000 ] - [ -0.0011367800000000, -0.0033094700000000, -0.0007306300000000 ] - [ -0.0011313300000000, 0.0039290700000000, -0.0007689000000000 ] - [ -0.0011904500000000, 0.0033033500000000, -0.0007432200000000 ] - [ 0.0011042700000000, 0.0036532100000000, 0.0007440800000000 ] - [ 0.0010033600000000, 0.0034369500000000, 0.0007029000000000 ] - [ 0.0017650100000000, 0.0002958200000000, -0.0040511600000000 ] - [ 0.0017661100000000, 0.0003558500000000, -0.0040730800000000 ] - [ -0.0019637600000000, 0.0005846900000000, 0.0038999900000000 ] - [ -0.0018278700000000, 0.0001904300000000, 0.0040738000000000 ] - [ -0.0019513600000000, -0.0004718400000000, 0.0038838800000000 ] - [ -0.0018181000000000, -0.0003223800000000, 0.0040368700000000 ] - [ 0.0017343600000000, -0.0001979600000000, -0.0041029500000000 ] - [ 0.0017993300000000, -0.0004560500000000, -0.0040173800000000 ] - [ -0.0001713200000000, 0.0007767000000000, -0.0004949400000000 ] - [ 0.0000722600000000, 0.0007748900000000, -0.0004135200000000 ] - [ -0.0004641300000000, 0.0008946900000000, 0.0003092800000000 ] - [ -0.0003163500000000, 0.0007088300000000, 0.0003567000000000 ] - [ -0.0004119200000000, -0.0008655900000000, 0.0003295900000000 ] - [ -0.0003245400000000, -0.0007552100000000, 0.0003439300000000 ] - [ -0.0001563900000000, -0.0007092900000000, -0.0004895600000000 ] - [ 0.0000878500000000, -0.0008410600000000, -0.0004096100000000 ] - [ 0.0024416000000000, -0.0021810400000000, 0.0005332500000000 ] - [ -0.0009492100000000, 0.0006371800000000, 0.0000594700000000 ] - [ 0.0023232200000000, 0.0016005200000000, 0.0002012200000000 ] - [ -0.0008490800000000, 0.0009357400000000, -0.0010896000000000 ] - [ -0.0015906800000000, 0.0018139500000000, -0.0012946200000000 ] - [ -0.0033229000000000, -0.0040544900000000, -0.0024400700000000 ] - [ -0.0030177200000000, -0.0040494700000000, 0.0003949400000000 ] - [ 0.0009617400000000, 0.0006504400000000, 0.0013028300000000 ] - [ -0.0027590900000000, 0.0056297700000000, 0.0004095600000000 ] - [ 0.0041267500000000, 0.0069815200000000, 0.0034172800000000 ] - [ -0.0470381300000000, -0.0569420300000000, -0.0080673600000000 ] - [ -0.0015063200000000, 0.0045940100000000, -0.0013590500000000 ] - [ -0.0002721800000000, -0.0002381400000000, -0.0001488700000000 ] - [ 0.0010619400000000, -0.0007373300000000, 0.0002649600000000 ] - [ 0.0005847500000000, -0.0000680500000000, 0.0001052800000000 ] - [ -0.0001659500000000, 0.0012327400000000, 0.0001761800000000 ] - [ -0.0007051700000000, -0.0016419700000000, -0.0012309200000000 ] - [ -0.0008253000000000, -0.0011469300000000, -0.0012559400000000 ] - [ 0.0012679100000000, -0.0010436800000000, 0.0013502400000000 ] - [ 0.0010986700000000, -0.0015805100000000, 0.0013197900000000 ] - [ 0.0012587200000000, 0.0009188500000000, 0.0013544500000000 ] - [ 0.0011854200000000, 0.0018082700000000, 0.0013285500000000 ] - [ -0.0006926800000000, 0.0013613600000000, -0.0012268000000000 ] - [ -0.0008162600000000, 0.0014262100000000, -0.0012567600000000 ] - [ -0.0001684700000000, -0.0001752700000000, -0.0001442100000000 ] - [ 0.0001457100000000, 0.0000977300000000, 0.0000913600000000 ] - [ 0.0001832700000000, 0.0003197400000000, -0.0001115200000000 ] - [ -0.0007369000000000, -0.0002867600000000, -0.0001980800000000 ] - [ -0.0000397700000000, 0.0002722800000000, 0.0001232500000000 ] - [ 0.0001012000000000, -0.0003764500000000, -0.0001727800000000 ] - [ -0.0001202900000000, -0.0001054500000000, 0.0000198900000000 ] - [ 0.0001449400000000, 0.0001493000000000, -0.0000260100000000 ] - [ -0.0023091700000000, 0.0018098500000000, 0.0003657300000000 ] - [ 0.0016297900000000, -0.0017220500000000, 0.0005640200000000 ] - [ 0.0022642500000000, -0.0017941900000000, 0.0000848100000000 ] - [ 0.0002838100000000, 0.0030913600000000, -0.0009954200000000 ] - [ 0.0041202500000000, 0.0072493800000000, -0.0002294300000000 ] - [ -0.0030213300000000, 0.0086944600000000, -0.0020553600000000 ] - [ 0.0000247200000000, -0.0104163700000000, 0.0013743800000000 ] - [ -0.0009454500000000, 0.0032303800000000, 0.0006846000000000 ] - [ 0.0000053200000000, -0.0004486900000000, 0.0009337100000000 ] - [ -0.0010169100000000, 0.0006933800000000, 0.0007752200000000 ] - [ 0.0009957100000000, 0.0003689200000000, -0.0007458000000000 ] - [ 0.0013319100000000, 0.0000967000000000, -0.0005418100000000 ] - [ 0.0013414200000000, -0.0005677600000000, -0.0006386700000000 ] - [ 0.0010029700000000, 0.0001103900000000, -0.0006378900000000 ] - [ 0.0001616600000000, -0.0000105700000000, 0.0010766800000000 ] - [ -0.0010298000000000, -0.0002981900000000, 0.0006388700000000 ]- atom: 41 displacement: [ -0.0030072416887981, 0.0000000000000000, 0.0095371115871188 ] forces: - [ -0.0002188600000000, -0.0003997000000000, -0.0007429500000000 ] - [ 0.0002392700000000, -0.0000307200000000, -0.0009055700000000 ] - [ -0.0011572800000000, -0.0008438400000000, -0.0002349300000000 ] - [ 0.0000676100000000, -0.0002961900000000, 0.0008016000000000 ] - [ 0.0005747100000000, 0.0008482700000000, 0.0014257400000000 ] - [ 0.0003500500000000, 0.0005060900000000, 0.0006859500000000 ] - [ -0.0001248400000000, 0.0005189900000000, -0.0005894700000000 ] - [ -0.0001970200000000, 0.0003997100000000, -0.0007446300000000 ] - [ -0.0001469300000000, -0.0004123600000000, 0.0008990500000000 ] - [ -0.0002675900000000, -0.0004682500000000, 0.0008840800000000 ] - [ -0.0002240500000000, -0.0003562600000000, -0.0007410500000000 ] - [ 0.0001473700000000, -0.0004181600000000, -0.0008724000000000 ] - [ 0.0001241700000000, 0.0005207800000000, -0.0011086700000000 ] - [ -0.0000503300000000, 0.0007734100000000, -0.0012811000000000 ] - [ -0.0004019100000000, 0.0005965600000000, 0.0007728500000000 ] - [ -0.0001660500000000, 0.0004399000000000, 0.0008884700000000 ] - [ -0.0016253900000000, 0.0007525000000000, 0.0050040400000000 ] - [ -0.0013213400000000, 0.0000820300000000, 0.0046825800000000 ] - [ 0.0039156100000000, -0.0012043700000000, 0.0049643100000000 ] - [ 0.0016938000000000, 0.0003613100000000, -0.0045593800000000 ] - [ 0.0017588100000000, -0.0003189300000000, -0.0045840700000000 ] - [ -0.0003438200000000, -0.0033616100000000, -0.0053437400000000 ] - [ -0.0280875100000000, -0.0157876300000000, 0.0074534800000000 ] - [ -0.0015811000000000, -0.0003107400000000, 0.0046116700000000 ] - [ 0.0011924300000000, -0.0036115700000000, 0.0007908600000000 ] - [ -0.0014560400000000, -0.0006054600000000, -0.0102746900000000 ] - [ -0.0010417500000000, -0.0028797700000000, -0.0018374900000000 ] - [ -0.0009713700000000, -0.0040518100000000, -0.0012163300000000 ] - [ -0.0015019800000000, 0.0033806700000000, 0.0000919500000000 ] - [ -0.0011115400000000, 0.0033726300000000, -0.0006439900000000 ] - [ 0.0012175800000000, 0.0038208200000000, 0.0021127600000000 ] - [ 0.0011489200000000, 0.0034869900000000, 0.0009430000000000 ] - [ 0.0209888300000000, 0.0128792100000000, 0.0014248800000000 ] - [ 0.0019363800000000, 0.0004766000000000, -0.0040444900000000 ] - [ -0.0017203000000000, 0.0004881300000000, 0.0039470200000000 ] - [ -0.0007571400000000, 0.0012874300000000, 0.0037892900000000 ] - [ -0.0076062300000000, 0.0003801700000000, 0.0086551600000000 ] - [ -0.0018014800000000, -0.0003943100000000, 0.0040358000000000 ] - [ 0.0017755400000000, -0.0011364700000000, -0.0033670900000000 ] - [ 0.0018103300000000, -0.0004721400000000, -0.0035439100000000 ] - [ 0.0742636700000000, 0.0111446000000000, -0.0444182700000000 ] - [ 0.0003945300000000, 0.0007973900000000, -0.0003377900000000 ] - [ 0.0004742900000000, 0.0006611200000000, -0.0000632800000000 ] - [ 0.0007293600000000, 0.0008148100000000, 0.0000181200000000 ] - [ -0.0006761700000000, -0.0002230000000000, 0.0039384100000000 ] - [ 0.0000344700000000, -0.0008257600000000, 0.0004704100000000 ] - [ 0.0003911500000000, -0.0008181600000000, -0.0001714300000000 ] - [ 0.0000508500000000, -0.0008687300000000, 0.0008774900000000 ] - [ -0.0006245600000000, -0.0005335300000000, -0.0006160800000000 ] - [ -0.0002243800000000, -0.0003816700000000, -0.0007430900000000 ] - [ 0.0000936900000000, -0.0003580100000000, 0.0007389500000000 ] - [ 0.0000582100000000, -0.0003564400000000, 0.0007231700000000 ] - [ 0.0000954100000000, 0.0003413000000000, 0.0007183900000000 ] - [ 0.0001066300000000, 0.0003684200000000, 0.0007362100000000 ] - [ -0.0000444100000000, 0.0003632600000000, -0.0008243000000000 ] - [ -0.0003079800000000, 0.0005278400000000, -0.0007813500000000 ] - [ -0.0003240700000000, -0.0003894000000000, 0.0007472200000000 ] - [ -0.0001418900000000, -0.0004296500000000, 0.0009129000000000 ] - [ 0.0000803900000000, -0.0004259400000000, -0.0009337900000000 ] - [ 0.0000729300000000, -0.0004605600000000, -0.0009764200000000 ] - [ 0.0000759800000000, 0.0004173900000000, -0.0009496100000000 ] - [ 0.0000893000000000, 0.0004408600000000, -0.0009406100000000 ] - [ 0.0000016600000000, 0.0005588800000000, 0.0009807100000000 ] - [ -0.0001730100000000, 0.0005094900000000, 0.0008370700000000 ] - [ -0.0017042600000000, 0.0004187700000000, 0.0045630500000000 ] - [ -0.0016945400000000, 0.0004181300000000, 0.0045634900000000 ] - [ 0.0016211800000000, 0.0003831700000000, -0.0045551000000000 ] - [ 0.0016086800000000, 0.0004107300000000, -0.0045637200000000 ] - [ 0.0015860800000000, -0.0003926200000000, -0.0045575400000000 ] - [ 0.0016171500000000, -0.0003877500000000, -0.0045595200000000 ] - [ -0.0016965100000000, -0.0004162600000000, 0.0045625700000000 ] - [ -0.0017032100000000, -0.0004229700000000, 0.0045607100000000 ] - [ 0.0010792800000000, -0.0035523000000000, 0.0007297200000000 ] - [ 0.0010819400000000, -0.0035642400000000, 0.0007318500000000 ] - [ -0.0011596300000000, -0.0036109100000000, -0.0007488300000000 ] - [ -0.0011918600000000, -0.0035933100000000, -0.0007575400000000 ] - [ -0.0012205400000000, 0.0036163000000000, -0.0007713600000000 ] - [ -0.0011586000000000, 0.0035943700000000, -0.0007555900000000 ] - [ 0.0010765800000000, 0.0035635800000000, 0.0007305100000000 ] - [ 0.0010864400000000, 0.0035578100000000, 0.0007312400000000 ] - [ 0.0017951000000000, 0.0003421500000000, -0.0040405700000000 ] - [ 0.0017907500000000, 0.0003348800000000, -0.0040410200000000 ] - [ -0.0018733400000000, 0.0003608800000000, 0.0039966300000000 ] - [ -0.0018620500000000, 0.0003794600000000, 0.0039928000000000 ] - [ -0.0018697300000000, -0.0003934200000000, 0.0039725700000000 ] - [ -0.0018709900000000, -0.0003481200000000, 0.0039965300000000 ] - [ 0.0017889100000000, -0.0003371600000000, -0.0040474500000000 ] - [ 0.0017976500000000, -0.0003393900000000, -0.0040401500000000 ] - [ 0.0000404000000000, 0.0007805600000000, -0.0004284800000000 ] - [ 0.0000406400000000, 0.0007824600000000, -0.0004280700000000 ] - [ -0.0003217400000000, 0.0007976400000000, 0.0003533300000000 ] - [ -0.0002815200000000, 0.0007980400000000, 0.0003607600000000 ] - [ -0.0002864700000000, -0.0008001800000000, 0.0003564600000000 ] - [ -0.0003205600000000, -0.0007894700000000, 0.0003520800000000 ] - [ 0.0000267100000000, -0.0007833700000000, -0.0004333300000000 ] - [ 0.0000590800000000, -0.0007806000000000, -0.0004235100000000 ] - [ 0.0011715900000000, -0.0008714000000000, -0.0000063600000000 ] - [ 0.0000785800000000, -0.0006264800000000, -0.0000253200000000 ] - [ -0.0006842700000000, 0.0001006200000000, 0.0002235100000000 ] - [ -0.0000097200000000, 0.0002320500000000, 0.0002734100000000 ] - [ -0.0011525000000000, -0.0012129700000000, -0.0024075600000000 ] - [ -0.0010781200000000, -0.0005579300000000, -0.0031955600000000 ] - [ 0.0047721800000000, -0.0006791100000000, -0.0069447200000000 ] - [ 0.0007833100000000, -0.0012060900000000, 0.0012196200000000 ] - [ 0.0001729000000000, 0.0006847000000000, 0.0016509500000000 ] - [ -0.0005338900000000, 0.0022391800000000, 0.0043359100000000 ] - [ -0.0705963400000000, -0.0065623100000000, 0.0354654700000000 ] - [ -0.0012450100000000, 0.0013451000000000, -0.0013203900000000 ] - [ 0.0000941900000000, -0.0005665200000000, 0.0000249600000000 ] - [ 0.0003975300000000, -0.0004148700000000, 0.0001160100000000 ] - [ -0.0000077900000000, 0.0006091000000000, 0.0000680400000000 ] - [ 0.0000740400000000, 0.0005523000000000, 0.0000242900000000 ] - [ -0.0008344500000000, -0.0013855200000000, -0.0012581200000000 ] - [ -0.0008600200000000, -0.0013831100000000, -0.0012651300000000 ] - [ 0.0010954100000000, -0.0013395900000000, 0.0013402100000000 ] - [ 0.0011535900000000, -0.0014182500000000, 0.0013302800000000 ] - [ 0.0011575600000000, 0.0013638600000000, 0.0013159200000000 ] - [ 0.0010964900000000, 0.0013563300000000, 0.0013224000000000 ] - [ -0.0008446600000000, 0.0013785800000000, -0.0012631300000000 ] - [ -0.0008440300000000, 0.0013882700000000, -0.0012630800000000 ] - [ 0.0000345800000000, -0.0000117200000000, -0.0000028700000000 ] - [ 0.0000205700000000, 0.0000052600000000, 0.0000132600000000 ] - [ -0.0000063200000000, 0.0000002300000000, 0.0000045100000000 ] - [ 0.0001047200000000, -0.0000159500000000, 0.0000904100000000 ] - [ 0.0000147800000000, -0.0000132500000000, -0.0000077800000000 ] - [ 0.0000117000000000, -0.0000925300000000, -0.0000412100000000 ] - [ 0.0000353700000000, -0.0000136800000000, -0.0000006800000000 ] - [ 0.0000314000000000, 0.0000280500000000, -0.0000061400000000 ] - [ -0.0009099100000000, 0.0001445500000000, 0.0006581300000000 ] - [ 0.0004361900000000, 0.0001898100000000, -0.0022765300000000 ] - [ 0.0043779800000000, -0.0001586900000000, -0.0133776800000000 ] - [ 0.0005407500000000, 0.0003004100000000, -0.0009210800000000 ] - [ -0.0005146400000000, 0.0003375900000000, 0.0039540800000000 ] - [ 0.0000499700000000, -0.0021818400000000, -0.0005070300000000 ] - [ 0.0042926500000000, -0.0004950900000000, 0.0098605700000000 ] - [ -0.0009298400000000, -0.0000770600000000, 0.0007269700000000 ] - [ -0.0006134700000000, 0.0002992600000000, 0.0009127600000000 ] - [ -0.0006618800000000, 0.0001423100000000, 0.0007763800000000 ] - [ 0.0010175500000000, 0.0002020900000000, -0.0006843500000000 ] - [ 0.0010484600000000, 0.0002223000000000, -0.0006717200000000 ] - [ 0.0010660500000000, -0.0002207500000000, -0.0006794800000000 ] - [ 0.0010099200000000, -0.0002119800000000, -0.0006908500000000 ] - [ -0.0005990000000000, -0.0000680300000000, 0.0007130600000000 ] - [ -0.0006508500000000, -0.0002505700000000, 0.0008215600000000 ]- atom: 41 displacement: [ 0.0030072416887981, 0.0000000000000000, -0.0095371115871188 ] forces: - [ -0.0001336900000000, -0.0003932800000000, -0.0007383000000000 ] - [ -0.0006064200000000, -0.0007720000000000, -0.0005698700000000 ] - [ 0.0015068900000000, 0.0000477600000000, 0.0017092400000000 ] - [ 0.0002928900000000, -0.0005020100000000, 0.0006722700000000 ] - [ -0.0002183200000000, -0.0000519100000000, 0.0000608400000000 ] - [ -0.0000049400000000, 0.0002800000000000, 0.0007982000000000 ] - [ -0.0002154100000000, 0.0002706100000000, -0.0008929300000000 ] - [ -0.0001526700000000, 0.0003899200000000, -0.0007358200000000 ] - [ -0.0001069900000000, -0.0004860700000000, 0.0009338300000000 ] - [ 0.0000055400000000, -0.0004543200000000, 0.0009569300000000 ] - [ 0.0004800200000000, -0.0005503900000000, -0.0010924600000000 ] - [ 0.0001177300000000, -0.0004984000000000, -0.0009640300000000 ] - [ 0.0001242900000000, 0.0003988700000000, -0.0007420200000000 ] - [ 0.0003171100000000, 0.0001386700000000, -0.0005529200000000 ] - [ 0.0001415900000000, 0.0003120300000000, 0.0010510300000000 ] - [ -0.0000985000000000, 0.0004765900000000, 0.0009502400000000 ] - [ -0.0016916800000000, 0.0000640100000000, 0.0041219700000000 ] - [ -0.0020006300000000, 0.0007424300000000, 0.0044425200000000 ] - [ -0.0005358300000000, 0.0020120700000000, -0.0139683300000000 ] - [ 0.0016175600000000, 0.0004528500000000, -0.0045631500000000 ] - [ 0.0015529700000000, -0.0004992400000000, -0.0045370600000000 ] - [ 0.0036717500000000, 0.0025626600000000, -0.0037710200000000 ] - [ 0.0244364600000000, 0.0147052200000000, 0.0016855900000000 ] - [ -0.0017307900000000, -0.0005084100000000, 0.0045076100000000 ] - [ 0.0010644300000000, -0.0035457900000000, 0.0006967800000000 ] - [ 0.0038008600000000, -0.0065605800000000, 0.0117063600000000 ] - [ -0.0012163500000000, -0.0042700400000000, 0.0003504900000000 ] - [ -0.0012940100000000, -0.0031018700000000, -0.0002711500000000 ] - [ -0.0007537700000000, 0.0037549400000000, -0.0015777700000000 ] - [ -0.0011466600000000, 0.0037862700000000, -0.0008444600000000 ] - [ 0.0010325100000000, 0.0033392700000000, -0.0006329700000000 ] - [ 0.0011111700000000, 0.0036652400000000, 0.0005459200000000 ] - [ -0.0174009200000000, -0.0122470900000000, -0.0094358700000000 ] - [ 0.0017191300000000, 0.0002222000000000, -0.0039899600000000 ] - [ -0.0019370400000000, 0.0002098500000000, 0.0040905100000000 ] - [ -0.0028939700000000, -0.0005837900000000, 0.0042463600000000 ] - [ 0.0040109300000000, -0.0010761900000000, -0.0006157700000000 ] - [ -0.0018575100000000, -0.0003116800000000, 0.0039994700000000 ] - [ 0.0018797700000000, 0.0004314100000000, -0.0046726200000000 ] - [ 0.0018440500000000, -0.0002242200000000, -0.0045048900000000 ] - [ -0.0749252500000000, -0.0094735200000000, 0.0442266600000000 ] - [ -0.0000527900000000, 0.0007785700000000, -0.0004456800000000 ] - [ -0.0008288300000000, 0.0009198100000000, 0.0008431400000000 ] - [ -0.0010940800000000, 0.0007680400000000, 0.0007600600000000 ] - [ 0.0003221900000000, -0.0013707500000000, -0.0031863000000000 ] - [ -0.0003846500000000, -0.0007519100000000, 0.0003103400000000 ] - [ -0.0000433300000000, -0.0007630700000000, -0.0006107600000000 ] - [ 0.0002994500000000, -0.0006962100000000, -0.0016612800000000 ] - [ 0.0002733900000000, -0.0002559200000000, -0.0008665800000000 ] - [ -0.0001301300000000, -0.0004126400000000, -0.0007398300000000 ] - [ 0.0002593200000000, -0.0004348900000000, 0.0007414800000000 ] - [ 0.0002905600000000, -0.0004340200000000, 0.0007578300000000 ] - [ 0.0002563400000000, 0.0004480800000000, 0.0007627300000000 ] - [ 0.0002477300000000, 0.0004237500000000, 0.0007445200000000 ] - [ -0.0003109200000000, 0.0004318400000000, -0.0006518300000000 ] - [ -0.0000469700000000, 0.0002690500000000, -0.0006968200000000 ] - [ 0.0000602900000000, -0.0005235900000000, 0.0010892500000000 ] - [ -0.0001081000000000, -0.0004897000000000, 0.0009338100000000 ] - [ 0.0001757800000000, -0.0004785500000000, -0.0008968900000000 ] - [ 0.0001922400000000, -0.0004607600000000, -0.0008649300000000 ] - [ 0.0001831300000000, 0.0004825800000000, -0.0008817900000000 ] - [ 0.0001747900000000, 0.0004785600000000, -0.0008980000000000 ] - [ -0.0002642900000000, 0.0003581800000000, 0.0008569900000000 ] - [ -0.0000822400000000, 0.0003993200000000, 0.0009979900000000 ] - [ -0.0016082100000000, 0.0003961200000000, 0.0045593400000000 ] - [ -0.0016183900000000, 0.0003996500000000, 0.0045605000000000 ] - [ 0.0016910200000000, 0.0004352200000000, -0.0045657100000000 ] - [ 0.0017042200000000, 0.0004062600000000, -0.0045587800000000 ] - [ 0.0017263200000000, -0.0004230000000000, -0.0045657800000000 ] - [ 0.0016980300000000, -0.0004302200000000, -0.0045655500000000 ] - [ -0.0016152300000000, -0.0003981300000000, 0.0045596200000000 ] - [ -0.0016100900000000, -0.0003970100000000, 0.0045611200000000 ] - [ 0.0011844400000000, -0.0035974800000000, 0.0007588800000000 ] - [ 0.0011776100000000, -0.0035961200000000, 0.0007562200000000 ] - [ -0.0011005000000000, -0.0035428900000000, -0.0007397800000000 ] - [ -0.0010690000000000, -0.0035644100000000, -0.0007315800000000 ] - [ -0.0010382800000000, 0.0035319500000000, -0.0007174300000000 ] - [ -0.0010968900000000, 0.0035574100000000, -0.0007322700000000 ] - [ 0.0011873800000000, 0.0036003600000000, 0.0007585200000000 ] - [ 0.0011774900000000, 0.0035966500000000, 0.0007567200000000 ] - [ 0.0018632200000000, 0.0003618300000000, -0.0039979500000000 ] - [ 0.0018658800000000, 0.0003634700000000, -0.0039969500000000 ] - [ -0.0017845900000000, 0.0003405700000000, 0.0040418500000000 ] - [ -0.0017937700000000, 0.0003189300000000, 0.0040498100000000 ] - [ -0.0017872400000000, -0.0003078500000000, 0.0040616200000000 ] - [ -0.0017861600000000, -0.0003527200000000, 0.0040412200000000 ] - [ 0.0018688500000000, -0.0003650700000000, -0.0039919100000000 ] - [ 0.0018603400000000, -0.0003610300000000, -0.0039989600000000 ] - [ 0.0003107300000000, 0.0007993400000000, -0.0003532300000000 ] - [ 0.0003072100000000, 0.0007940300000000, -0.0003539000000000 ] - [ -0.0000325500000000, 0.0007801200000000, 0.0004264600000000 ] - [ -0.0000677200000000, 0.0007797400000000, 0.0004210400000000 ] - [ -0.0000618700000000, -0.0007764400000000, 0.0004253500000000 ] - [ -0.0000315100000000, -0.0007898800000000, 0.0004285800000000 ] - [ 0.0003241200000000, -0.0007948900000000, -0.0003482900000000 ] - [ 0.0002970400000000, -0.0007981200000000, -0.0003566900000000 ] - [ -0.0011704000000000, -0.0001700300000000, 0.0000088700000000 ] - [ -0.0000775500000000, -0.0004089400000000, 0.0000295800000000 ] - [ 0.0006778700000000, 0.0009339000000000, -0.0002258700000000 ] - [ 0.0000131900000000, 0.0008094700000000, -0.0002801300000000 ] - [ -0.0008093600000000, -0.0015368600000000, -0.0001792700000000 ] - [ -0.0008682500000000, -0.0022245200000000, 0.0006287000000000 ] - [ -0.0028082500000000, -0.0020528100000000, 0.0095211500000000 ] - [ 0.0011867000000000, -0.0015453900000000, 0.0013662600000000 ] - [ 0.0017995000000000, 0.0020680600000000, 0.0009338700000000 ] - [ 0.0025097500000000, 0.0005013200000000, -0.0017580100000000 ] - [ 0.0701029400000000, 0.0095567300000000, -0.0384879200000000 ] - [ -0.0007187200000000, 0.0014080600000000, -0.0012631700000000 ] - [ -0.0000947200000000, -0.0004748500000000, -0.0000290600000000 ] - [ -0.0003960500000000, -0.0006236500000000, -0.0001147200000000 ] - [ 0.0000006600000000, 0.0004383700000000, -0.0000623300000000 ] - [ -0.0000760700000000, 0.0004937200000000, -0.0000280600000000 ] - [ -0.0011367400000000, -0.0013706300000000, -0.0013275700000000 ] - [ -0.0011097500000000, -0.0013715400000000, -0.0013201200000000 ] - [ 0.0008715600000000, -0.0014112200000000, 0.0012445600000000 ] - [ 0.0008143000000000, -0.0013323700000000, 0.0012545400000000 ] - [ 0.0008144700000000, 0.0013886600000000, 0.0012697100000000 ] - [ 0.0008686400000000, 0.0013999300000000, 0.0012610600000000 ] - [ -0.0011240800000000, 0.0013712200000000, -0.0013226200000000 ] - [ -0.0011225700000000, 0.0013685400000000, -0.0013219500000000 ] - [ -0.0000348900000000, 0.0000097700000000, 0.0000016300000000 ] - [ -0.0000216700000000, -0.0000033400000000, -0.0000136300000000 ] - [ 0.0000067000000000, 0.0000012300000000, -0.0000042400000000 ] - [ -0.0001071800000000, 0.0000157900000000, -0.0000911500000000 ] - [ -0.0000160300000000, 0.0000153100000000, 0.0000065800000000 ] - [ -0.0000101800000000, 0.0000918100000000, 0.0000412700000000 ] - [ -0.0000383300000000, 0.0000114400000000, 0.0000002900000000 ] - [ -0.0000303700000000, -0.0000265000000000, 0.0000050900000000 ] - [ -0.0007688900000000, 0.0002793300000000, 0.0008284000000000 ] - [ -0.0021397500000000, 0.0002032000000000, 0.0037542700000000 ] - [ -0.0026454400000000, 0.0005836400000000, 0.0118623000000000 ] - [ 0.0011352500000000, 0.0001149200000000, -0.0005651000000000 ] - [ 0.0021874700000000, -0.0007627000000000, -0.0054215000000000 ] - [ 0.0016417000000000, 0.0018188700000000, -0.0009825500000000 ] - [ -0.0062794600000000, 0.0000761700000000, -0.0085503400000000 ] - [ -0.0007448500000000, -0.0003376300000000, 0.0007593300000000 ] - [ -0.0010606400000000, 0.0001128300000000, 0.0005736600000000 ] - [ -0.0010181800000000, 0.0002733600000000, 0.0007077200000000 ] - [ 0.0006591700000000, 0.0002088000000000, -0.0008001500000000 ] - [ 0.0006262700000000, 0.0001962000000000, -0.0008146300000000 ] - [ 0.0006079200000000, -0.0001949200000000, -0.0008075700000000 ] - [ 0.0006678800000000, -0.0001988000000000, -0.0007934900000000 ] - [ -0.0010742500000000, -0.0003467900000000, 0.0007730600000000 ] - [ -0.0010264000000000, -0.0001614200000000, 0.0006642700000000 ]- atom: 97 displacement: [ 0.0099999367125711, 0.0000000000000000, -0.0000355773041697 ] forces: - [ -0.0032725900000000, -0.0013427500000000, -0.0009393600000000 ] - [ -0.0035782600000000, -0.0017455100000000, -0.0007812700000000 ] - [ 0.2395940900000000, -0.1381524800000000, -0.0401728700000000 ] - [ 0.0038272300000000, -0.0016970700000000, 0.0008311700000000 ] - [ 0.0130223400000000, 0.0060256700000000, 0.0032137400000000 ] - [ 0.0036489900000000, 0.0017040000000000, 0.0006917700000000 ] - [ -0.0032740500000000, 0.0013486200000000, -0.0009707200000000 ] - [ -0.0034783200000000, 0.0017107000000000, -0.0008194300000000 ] - [ -0.0020944000000000, -0.0005361000000000, -0.0004292300000000 ] - [ -0.0018119400000000, -0.0006047700000000, -0.0001020600000000 ] - [ 0.0651188900000000, 0.0233525800000000, 0.0420611100000000 ] - [ 0.0024396000000000, -0.0006564000000000, 0.0001889100000000 ] - [ 0.0076447300000000, 0.0055918200000000, 0.0114309300000000 ] - [ 0.0029306100000000, 0.0020456600000000, 0.0000746700000000 ] - [ -0.0021327100000000, 0.0005153900000000, -0.0005087600000000 ] - [ -0.0017950300000000, 0.0005811000000000, -0.0001197100000000 ] - [ -0.0033986000000000, 0.0027209000000000, 0.0063848500000000 ] - [ -0.0011666100000000, -0.0010658400000000, 0.0041739700000000 ] - [ -0.0002785900000000, -0.0006732100000000, -0.0046056900000000 ] - [ 0.0008758100000000, 0.0007151500000000, -0.0046302300000000 ] - [ -0.0005852400000000, 0.0009010200000000, -0.0041883700000000 ] - [ 0.0007671400000000, -0.0007752400000000, -0.0045616600000000 ] - [ -0.0103517500000000, -0.0070093700000000, 0.0038845200000000 ] - [ -0.0011229500000000, 0.0012260100000000, 0.0038160400000000 ] - [ 0.0000350400000000, 0.0049273900000000, 0.0006937900000000 ] - [ 0.0020719900000000, -0.0107624700000000, 0.0020772200000000 ] - [ -0.0036400900000000, -0.0047722700000000, -0.0013334000000000 ] - [ -0.0020677500000000, -0.0040198800000000, -0.0010308300000000 ] - [ -0.0032578900000000, 0.0046858600000000, -0.0013393600000000 ] - [ -0.0020007400000000, 0.0039201300000000, -0.0010173000000000 ] - [ 0.0004644600000000, -0.0017268900000000, 0.0003869400000000 ] - [ 0.0027588300000000, 0.0089300600000000, 0.0006512700000000 ] - [ -0.0018988300000000, -0.0038884100000000, -0.0022044700000000 ] - [ 0.0019542000000000, 0.0019837000000000, -0.0030235700000000 ] - [ -0.0036478100000000, 0.0018380300000000, 0.0026660200000000 ] - [ -0.0024901100000000, 0.0000267700000000, 0.0035090900000000 ] - [ -0.0034496500000000, -0.0015590300000000, 0.0030160700000000 ] - [ -0.0024582000000000, -0.0000659300000000, 0.0035960200000000 ] - [ -0.0015470300000000, 0.0057000200000000, -0.0126580700000000 ] - [ 0.0020591900000000, -0.0019138900000000, -0.0034595200000000 ] - [ -0.0063700800000000, -0.0016575300000000, -0.0012221900000000 ] - [ -0.0020067500000000, 0.0017374000000000, -0.0009969900000000 ] - [ -0.0090903700000000, 0.0018509600000000, -0.0020020500000000 ] - [ -0.0010923600000000, 0.0005175700000000, 0.0002003000000000 ] - [ -0.0061681900000000, -0.0013746200000000, -0.0015038700000000 ] - [ -0.0008947000000000, -0.0006262400000000, 0.0002426700000000 ] - [ -0.0047829200000000, 0.0015347600000000, -0.0026705900000000 ] - [ -0.0017513900000000, -0.0016366300000000, -0.0010121100000000 ] - [ 0.2271228300000000, 0.1269940300000000, -0.0388125300000000 ] - [ 0.0034842200000000, 0.0009092200000000, -0.0006494400000000 ] - [ -0.0029314300000000, 0.0005593100000000, 0.0005422400000000 ] - [ -0.0032403300000000, 0.0009656900000000, 0.0007009300000000 ] - [ -0.0029334500000000, -0.0005659400000000, 0.0005111900000000 ] - [ -0.0031386300000000, -0.0009310400000000, 0.0006621100000000 ] - [ 0.0126680400000000, -0.0052360800000000, 0.0017338600000000 ] - [ 0.0033208400000000, -0.0009314900000000, -0.0007916500000000 ] - [ 0.0654268700000000, -0.0245395700000000, 0.0440909600000000 ] - [ 0.0021977000000000, -0.0002656700000000, 0.0020457900000000 ] - [ -0.0018390400000000, -0.0003814200000000, -0.0022769900000000 ] - [ -0.0015633900000000, -0.0003077500000000, -0.0019480800000000 ] - [ -0.0018753700000000, 0.0004071300000000, -0.0023571000000000 ] - [ -0.0015471600000000, 0.0003268400000000, -0.0019643900000000 ] - [ 0.0074123400000000, -0.0046795000000000, 0.0132842900000000 ] - [ 0.0026599600000000, -0.0011060200000000, 0.0019290800000000 ] - [ -0.0035927300000000, 0.0014934500000000, 0.0045188300000000 ] - [ -0.0024390600000000, 0.0000992400000000, 0.0044915700000000 ] - [ -0.0000971900000000, -0.0019027900000000, -0.0027142900000000 ] - [ 0.0021488400000000, 0.0018786100000000, -0.0049481900000000 ] - [ -0.0069807000000000, 0.0061983600000000, -0.0052413100000000 ] - [ 0.0021937100000000, -0.0020539100000000, -0.0053094100000000 ] - [ -0.0039041800000000, -0.0017198000000000, 0.0049360000000000 ] - [ -0.0025476600000000, -0.0000446500000000, 0.0045620200000000 ] - [ -0.0013873800000000, -0.0023709600000000, 0.0001532200000000 ] - [ 0.0001923700000000, -0.0031437900000000, 0.0004570700000000 ] - [ -0.0022253200000000, -0.0121094500000000, -0.0007942000000000 ] - [ -0.0001779900000000, 0.0035910500000000, 0.0005823700000000 ] - [ -0.0017977200000000, 0.0088817300000000, -0.0010977900000000 ] - [ 0.0005023400000000, -0.0017858000000000, -0.0008346100000000 ] - [ -0.0009969100000000, 0.0024786800000000, 0.0001486100000000 ] - [ 0.0002568000000000, 0.0032295800000000, 0.0004695000000000 ] - [ 0.0000064700000000, -0.0011424700000000, -0.0053770800000000 ] - [ 0.0011685300000000, 0.0006702900000000, -0.0045301100000000 ] - [ -0.0055486300000000, 0.0046150900000000, 0.0058200400000000 ] - [ -0.0017031800000000, -0.0012972400000000, 0.0050193100000000 ] - [ -0.0051982000000000, -0.0063800800000000, -0.0046250800000000 ] - [ -0.0015987100000000, 0.0012095200000000, 0.0045792100000000 ] - [ 0.0002094900000000, 0.0008639200000000, -0.0050241100000000 ] - [ 0.0011998600000000, -0.0006367500000000, -0.0044413900000000 ] - [ -0.0087664400000000, -0.0002669400000000, -0.0027967500000000 ] - [ -0.0007348300000000, 0.0010581800000000, -0.0005797100000000 ] - [ -0.0067079100000000, 0.0032314800000000, -0.0004452700000000 ] - [ -0.0023670900000000, -0.0001634800000000, -0.0002178600000000 ] - [ -0.0051474000000000, -0.0031161200000000, -0.0018905400000000 ] - [ -0.0021072700000000, 0.0000569800000000, -0.0002310900000000 ] - [ -0.0058041400000000, -0.0002015100000000, -0.0022796700000000 ] - [ -0.0005409000000000, -0.0009550500000000, -0.0005383800000000 ] - [ -0.6721438500000000, 0.0103015400000000, -0.0189730000000000 ] - [ -0.0050702300000000, -0.0005155900000000, -0.0009773600000000 ] - [ -0.0240609300000000, 0.0005259800000000, -0.0219622200000000 ] - [ -0.0042845000000000, 0.0005295000000000, -0.0001477400000000 ] - [ 0.0011088600000000, -0.0115557500000000, 0.0038805200000000 ] - [ 0.0007862300000000, 0.0034285400000000, -0.0008430800000000 ] - [ 0.0073962100000000, -0.0003812800000000, 0.0029177400000000 ] - [ 0.0026183100000000, -0.0020688000000000, 0.0017756100000000 ] - [ 0.0088436800000000, -0.0001566100000000, 0.0027773900000000 ] - [ 0.0028581900000000, 0.0021851800000000, 0.0018221800000000 ] - [ 0.0081170900000000, 0.0143017000000000, -0.0048933200000000 ] - [ 0.0014331700000000, -0.0042801000000000, -0.0009972500000000 ] - [ 0.0045554900000000, -0.0005248400000000, 0.0014464500000000 ] - [ 0.0045554100000000, -0.0005229700000000, 0.0009845100000000 ] - [ 0.0045886500000000, 0.0005221500000000, 0.0015535500000000 ] - [ 0.0044739000000000, 0.0005262400000000, 0.0009988200000000 ] - [ 0.0054205300000000, -0.0023817100000000, 0.0003292900000000 ] - [ 0.0006537400000000, -0.0006789500000000, -0.0008095600000000 ] - [ 0.0030876100000000, 0.0088092000000000, 0.0064547400000000 ] - [ 0.0027494000000000, -0.0061738000000000, 0.0017409900000000 ] - [ 0.0100251100000000, -0.0115179400000000, -0.0022559800000000 ] - [ 0.0034091100000000, 0.0070605600000000, 0.0015896000000000 ] - [ 0.0068930700000000, 0.0029072300000000, 0.0001933100000000 ] - [ 0.0008882100000000, 0.0005772700000000, -0.0007643000000000 ] - [ 0.0009125700000000, -0.0001857100000000, 0.0001765200000000 ] - [ 0.0006285300000000, -0.0001555800000000, 0.0001056500000000 ] - [ -0.0023213300000000, -0.0013403600000000, 0.0000184400000000 ] - [ -0.0046971300000000, -0.0033759300000000, -0.0018102200000000 ] - [ -0.0023202200000000, 0.0013551200000000, 0.0000117600000000 ] - [ -0.0046495600000000, 0.0032641600000000, -0.0018796400000000 ] - [ 0.0009111000000000, 0.0001821800000000, 0.0001777600000000 ] - [ 0.0006299600000000, 0.0001579700000000, 0.0001048100000000 ] - [ 0.0063160200000000, -0.0016025000000000, 0.0030425000000000 ] - [ 0.0041548800000000, 0.0013626100000000, 0.0022724600000000 ] - [ 0.0084404400000000, 0.0058518900000000, 0.0238470900000000 ] - [ -0.0035528700000000, -0.0019642700000000, -0.0020122300000000 ] - [ 0.0465490600000000, -0.0310908400000000, -0.0135709700000000 ] - [ -0.0037221400000000, 0.0035104300000000, -0.0023873600000000 ] - [ 0.0071720500000000, 0.0017475500000000, 0.0032482100000000 ] - [ 0.0041777600000000, -0.0013739800000000, 0.0022605000000000 ] - [ 0.0067315400000000, -0.0054759600000000, 0.0251238700000000 ] - [ -0.0052403600000000, 0.0023982900000000, -0.0005283800000000 ] - [ 0.0080126000000000, 0.0020114000000000, 0.0015628900000000 ] - [ 0.0058429800000000, -0.0009437900000000, 0.0007906300000000 ] - [ 0.0088492300000000, -0.0021663400000000, 0.0017635700000000 ] - [ 0.0058728000000000, 0.0009671100000000, 0.0007810400000000 ] - [ 0.0448202000000000, 0.0305319800000000, -0.0120425800000000 ] - [ -0.0054087400000000, -0.0038940200000000, -0.0009057500000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000826700000000, -0.0004798400000000, -0.0007071100000000 ] - [ -0.0001993700000000, -0.0003000300000000, -0.0007986100000000 ] - [ -0.1230577700000000, 0.1388150800000000, 0.0264768200000000 ] - [ 0.0015048800000000, -0.0040121000000000, -0.0001659400000000 ] - [ 0.0060204300000000, 0.0101364600000000, -0.0003471000000000 ] - [ -0.0039804100000000, -0.0049120700000000, 0.0017254900000000 ] - [ -0.0005057000000000, 0.0007090700000000, -0.0006884000000000 ] - [ 0.0001309500000000, 0.0000702400000000, -0.0007678700000000 ] - [ 0.0000069300000000, -0.0003510400000000, 0.0009565200000000 ] - [ -0.0002665500000000, -0.0005527200000000, 0.0008596900000000 ] - [ 0.0205831000000000, 0.1326033700000000, 0.1005546200000000 ] - [ 0.0007331300000000, -0.0039815900000000, -0.0017969100000000 ] - [ 0.0007918800000000, -0.0004566800000000, -0.0055193300000000 ] - [ -0.0019249500000000, -0.0062204000000000, 0.0000444600000000 ] - [ -0.0001417800000000, 0.0007747500000000, 0.0010378000000000 ] - [ -0.0000737800000000, 0.0001571600000000, 0.0008480400000000 ] - [ 0.0002269600000000, 0.0015393200000000, 0.0024717400000000 ] - [ -0.0025336900000000, -0.0011601200000000, 0.0042465700000000 ] - [ 0.0014194000000000, 0.0008607400000000, -0.0044614600000000 ] - [ 0.0015068400000000, -0.0002459500000000, -0.0043629000000000 ] - [ 0.0024963700000000, -0.0008060700000000, -0.0047175600000000 ] - [ 0.0012601600000000, -0.0002786500000000, -0.0047313800000000 ] - [ 0.0014476900000000, 0.0074787100000000, 0.0075582000000000 ] - [ -0.0022339200000000, -0.0031151200000000, 0.0052335900000000 ] - [ 0.0030246700000000, -0.0104789500000000, 0.0012384800000000 ] - [ -0.0031497700000000, -0.0003666400000000, 0.0000962600000000 ] - [ -0.0001122600000000, -0.0021058200000000, -0.0005758100000000 ] - [ -0.0016613700000000, -0.0046830900000000, -0.0008650500000000 ] - [ -0.0014811300000000, 0.0046993200000000, -0.0007584400000000 ] - [ -0.0012146900000000, 0.0027675100000000, -0.0007597500000000 ] - [ -0.0030906200000000, 0.0024468400000000, -0.0012208900000000 ] - [ 0.0013193600000000, 0.0000607700000000, 0.0010976200000000 ] - [ 0.0040893000000000, 0.0060558800000000, -0.0066231200000000 ] - [ 0.0015649800000000, -0.0027723700000000, -0.0049521100000000 ] - [ -0.0011118200000000, -0.0001568000000000, 0.0045034800000000 ] - [ -0.0022740300000000, 0.0005521000000000, 0.0039264700000000 ] - [ -0.0020304300000000, 0.0000445000000000, 0.0038404400000000 ] - [ -0.0019001000000000, -0.0010105700000000, 0.0038317800000000 ] - [ 0.0041526400000000, -0.0011254700000000, 0.0026957800000000 ] - [ 0.0008438000000000, -0.0022836700000000, -0.0043925500000000 ] - [ -0.0001956100000000, 0.0024608200000000, -0.0008746000000000 ] - [ 0.0009852000000000, -0.0003663000000000, -0.0002494500000000 ] - [ 0.0051670000000000, 0.0010091300000000, 0.0019668700000000 ] - [ -0.0023279600000000, 0.0005069300000000, -0.0002422200000000 ] - [ -0.0026709800000000, -0.0001967700000000, -0.0003085300000000 ] - [ -0.0009586700000000, -0.0015013900000000, 0.0001749400000000 ] - [ 0.0028071600000000, -0.0018780600000000, 0.0008754300000000 ] - [ -0.0032055500000000, -0.0012034600000000, -0.0011523900000000 ] - [ 0.1230577700000000, 0.1388150800000000, -0.0264768200000000 ] - [ -0.0015048800000000, -0.0040121000000000, 0.0001659400000000 ] - [ 0.0000826700000000, -0.0004798400000000, 0.0007071100000000 ] - [ 0.0001993700000000, -0.0003000300000000, 0.0007986100000000 ] - [ 0.0005057000000000, 0.0007090700000000, 0.0006884000000000 ] - [ -0.0001309500000000, 0.0000702400000000, 0.0007678700000000 ] - [ -0.0060204300000000, 0.0101364600000000, 0.0003471000000000 ] - [ 0.0039804100000000, -0.0049120700000000, -0.0017254900000000 ] - [ -0.0205831000000000, 0.1326033700000000, -0.1005546200000000 ] - [ -0.0007331300000000, -0.0039815900000000, 0.0017969100000000 ] - [ -0.0000069300000000, -0.0003510400000000, -0.0009565200000000 ] - [ 0.0002665500000000, -0.0005527200000000, -0.0008596900000000 ] - [ 0.0001417800000000, 0.0007747500000000, -0.0010378000000000 ] - [ 0.0000737800000000, 0.0001571600000000, -0.0008480400000000 ] - [ -0.0007918800000000, -0.0004566800000000, 0.0055193300000000 ] - [ 0.0019249500000000, -0.0062204000000000, -0.0000444600000000 ] - [ -0.0014194000000000, 0.0008607400000000, 0.0044614600000000 ] - [ -0.0015068400000000, -0.0002459500000000, 0.0043629000000000 ] - [ -0.0002269600000000, 0.0015393200000000, -0.0024717400000000 ] - [ 0.0025336900000000, -0.0011601200000000, -0.0042465700000000 ] - [ -0.0014476900000000, 0.0074787100000000, -0.0075582000000000 ] - [ 0.0022339200000000, -0.0031151200000000, -0.0052335900000000 ] - [ -0.0024963700000000, -0.0008060700000000, 0.0047175600000000 ] - [ -0.0012601600000000, -0.0002786500000000, 0.0047313800000000 ] - [ 0.0001122600000000, -0.0021058200000000, 0.0005758100000000 ] - [ 0.0016613700000000, -0.0046830900000000, 0.0008650500000000 ] - [ -0.0030246700000000, -0.0104789500000000, -0.0012384800000000 ] - [ 0.0031497700000000, -0.0003666400000000, -0.0000962600000000 ] - [ 0.0030906200000000, 0.0024468400000000, 0.0012208900000000 ] - [ -0.0013193600000000, 0.0000607700000000, -0.0010976200000000 ] - [ 0.0014811300000000, 0.0046993200000000, 0.0007584400000000 ] - [ 0.0012146900000000, 0.0027675100000000, 0.0007597500000000 ] - [ 0.0011118200000000, -0.0001568000000000, -0.0045034800000000 ] - [ 0.0022740300000000, 0.0005521000000000, -0.0039264700000000 ] - [ -0.0040893000000000, 0.0060558800000000, 0.0066231200000000 ] - [ -0.0015649800000000, -0.0027723700000000, 0.0049521100000000 ] - [ -0.0041526400000000, -0.0011254700000000, -0.0026957800000000 ] - [ -0.0008438000000000, -0.0022836700000000, 0.0043925500000000 ] - [ 0.0020304300000000, 0.0000445000000000, -0.0038404400000000 ] - [ 0.0019001000000000, -0.0010105700000000, -0.0038317800000000 ] - [ -0.0051670000000000, 0.0010091300000000, -0.0019668700000000 ] - [ 0.0023279600000000, 0.0005069300000000, 0.0002422200000000 ] - [ 0.0001956100000000, 0.0024608200000000, 0.0008746000000000 ] - [ -0.0009852000000000, -0.0003663000000000, 0.0002494500000000 ] - [ -0.0028071600000000, -0.0018780600000000, -0.0008754300000000 ] - [ 0.0032055500000000, -0.0012034600000000, 0.0011523900000000 ] - [ 0.0026709800000000, -0.0001967700000000, 0.0003085300000000 ] - [ 0.0009586700000000, -0.0015013900000000, -0.0001749400000000 ] - [ 0.0000000000000000, -0.5770841500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0075987500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0074519000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0134818000000000, 0.0000000000000000 ] - [ -0.0026633800000000, 0.0029158800000000, -0.0047598600000000 ] - [ 0.0039060400000000, 0.0026359500000000, -0.0001845000000000 ] - [ 0.0018226200000000, -0.0027063900000000, 0.0012450400000000 ] - [ 0.0015530300000000, 0.0001646400000000, 0.0013639800000000 ] - [ -0.0027164800000000, 0.0013161400000000, 0.0007239900000000 ] - [ 0.0028491400000000, 0.0018707800000000, 0.0016802000000000 ] - [ 0.0013039500000000, -0.0086519800000000, 0.0002265400000000 ] - [ -0.0028128000000000, 0.0080886700000000, -0.0013868900000000 ] - [ 0.0000000000000000, -0.0005441300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005430900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001238100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0011241100000000, 0.0000000000000000 ] - [ -0.0018226200000000, -0.0027063900000000, -0.0012450400000000 ] - [ -0.0015530300000000, 0.0001646400000000, -0.0013639800000000 ] - [ 0.0026633800000000, 0.0029158800000000, 0.0047598600000000 ] - [ -0.0039060400000000, 0.0026359500000000, 0.0001845000000000 ] - [ -0.0013039500000000, -0.0086519800000000, -0.0002265400000000 ] - [ 0.0028128000000000, 0.0080886700000000, 0.0013868900000000 ] - [ 0.0027164800000000, 0.0013161400000000, -0.0007239900000000 ] - [ -0.0028491400000000, 0.0018707800000000, -0.0016802000000000 ] - [ 0.0000012300000000, -0.0001296600000000, -0.0000702700000000 ] - [ -0.0000388700000000, 0.0001236400000000, 0.0000553600000000 ] - [ 0.0006864500000000, 0.0021379000000000, -0.0006867300000000 ] - [ 0.0037414900000000, 0.0160693300000000, -0.0097567000000000 ] - [ -0.0006864500000000, 0.0021379000000000, 0.0006867300000000 ] - [ -0.0037414900000000, 0.0160693300000000, 0.0097567000000000 ] - [ -0.0000012300000000, -0.0001296600000000, 0.0000702700000000 ] - [ 0.0000388700000000, 0.0001236400000000, -0.0000553600000000 ] - [ -0.0026322500000000, 0.0003135200000000, 0.0001484700000000 ] - [ 0.0011849300000000, 0.0001005900000000, 0.0013911500000000 ] - [ 0.0144688400000000, -0.0265610600000000, 0.0041460800000000 ] - [ 0.0031548400000000, 0.0080062400000000, -0.0011821200000000 ] - [ -0.0353757800000000, 0.0136629000000000, 0.0050624100000000 ] - [ 0.0067223800000000, 0.0061308400000000, 0.0021918700000000 ] - [ -0.0005274000000000, -0.0018558600000000, 0.0008826700000000 ] - [ -0.0013969000000000, 0.0013921700000000, 0.0005502500000000 ] - [ -0.0144688400000000, -0.0265610600000000, -0.0041460800000000 ] - [ -0.0031548400000000, 0.0080062400000000, 0.0011821200000000 ] - [ 0.0026322500000000, 0.0003135200000000, -0.0001484700000000 ] - [ -0.0011849300000000, 0.0001005900000000, -0.0013911500000000 ] - [ 0.0005274000000000, -0.0018558600000000, -0.0008826700000000 ] - [ 0.0013969000000000, 0.0013921700000000, -0.0005502500000000 ] - [ 0.0353757800000000, 0.0136629000000000, -0.0050624100000000 ] - [ -0.0067223800000000, 0.0061308400000000, -0.0021918700000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002367300000000, -0.0002921700000000, -0.0007769100000000 ] - [ -0.0001156800000000, -0.0004655400000000, -0.0006873700000000 ] - [ 0.1295115700000000, -0.1419459600000000, -0.0261737900000000 ] - [ -0.0011981800000000, 0.0032407000000000, 0.0016482300000000 ] - [ -0.0057320700000000, -0.0093986800000000, 0.0018014300000000 ] - [ 0.0042733700000000, 0.0056584200000000, -0.0002383900000000 ] - [ 0.0001863700000000, 0.0000629400000000, -0.0007959400000000 ] - [ -0.0004462500000000, 0.0006950000000000, -0.0007179500000000 ] - [ -0.0002472600000000, -0.0005642500000000, 0.0008956400000000 ] - [ 0.0000231400000000, -0.0003666300000000, 0.0009940400000000 ] - [ -0.0184661100000000, -0.1309518200000000, -0.0969566300000000 ] - [ -0.0004935000000000, 0.0030635400000000, -0.0000564400000000 ] - [ -0.0005758500000000, 0.0013569900000000, 0.0036820400000000 ] - [ 0.0021559500000000, 0.0071344200000000, -0.0018983500000000 ] - [ -0.0000982800000000, 0.0001426000000000, 0.0008157400000000 ] - [ -0.0001697700000000, 0.0007604000000000, 0.0010051800000000 ] - [ -0.0035437200000000, -0.0007300500000000, 0.0066520600000000 ] - [ -0.0007977400000000, 0.0019940000000000, 0.0048942600000000 ] - [ 0.0019075700000000, -0.0000291800000000, -0.0046772100000000 ] - [ 0.0018125900000000, 0.0010673700000000, -0.0047734700000000 ] - [ 0.0008299600000000, -0.0000241800000000, -0.0044212900000000 ] - [ 0.0020594200000000, -0.0005433700000000, -0.0044052100000000 ] - [ -0.0047501200000000, -0.0082814100000000, 0.0015658400000000 ] - [ -0.0010955800000000, 0.0022774200000000, 0.0039081500000000 ] - [ -0.0007655900000000, 0.0032801800000000, 0.0002486500000000 ] - [ 0.0053929500000000, -0.0067607400000000, 0.0013858600000000 ] - [ -0.0021493700000000, -0.0050471600000000, -0.0009104400000000 ] - [ -0.0006066000000000, -0.0024794000000000, -0.0006218400000000 ] - [ -0.0007815700000000, 0.0024570900000000, -0.0007277500000000 ] - [ -0.0010524800000000, 0.0043907600000000, -0.0007268500000000 ] - [ 0.0053519300000000, 0.0047648800000000, 0.0027047100000000 ] - [ 0.0009352600000000, 0.0070746700000000, 0.0003849100000000 ] - [ -0.0004283400000000, -0.0053428900000000, -0.0014271800000000 ] - [ 0.0020848600000000, 0.0034523600000000, -0.0031139000000000 ] - [ -0.0025404500000000, 0.0008435900000000, 0.0035565200000000 ] - [ -0.0013838200000000, 0.0001435000000000, 0.0041295100000000 ] - [ -0.0016212300000000, -0.0007299300000000, 0.0042199400000000 ] - [ -0.0017573700000000, 0.0003142200000000, 0.0042240600000000 ] - [ -0.0005105400000000, 0.0004108400000000, -0.0107542000000000 ] - [ 0.0028042700000000, 0.0015988800000000, -0.0036739100000000 ] - [ 0.0005673000000000, -0.0008680400000000, 0.0000965800000000 ] - [ -0.0006231300000000, 0.0019427700000000, -0.0005302200000000 ] - [ -0.0055085000000000, 0.0005728600000000, -0.0011796300000000 ] - [ 0.0019459700000000, 0.0010759400000000, 0.0010156800000000 ] - [ 0.0023284900000000, -0.0013815600000000, 0.0010942100000000 ] - [ 0.0005778500000000, -0.0000830500000000, 0.0005991000000000 ] - [ -0.0024388600000000, 0.0002900500000000, -0.0016542100000000 ] - [ 0.0035669300000000, -0.0003721000000000, 0.0003729500000000 ] - [ -0.1295115700000000, -0.1419459600000000, 0.0261737900000000 ] - [ 0.0011981800000000, 0.0032407000000000, -0.0016482300000000 ] - [ 0.0002367300000000, -0.0002921700000000, 0.0007769100000000 ] - [ 0.0001156800000000, -0.0004655400000000, 0.0006873700000000 ] - [ -0.0001863700000000, 0.0000629400000000, 0.0007959400000000 ] - [ 0.0004462500000000, 0.0006950000000000, 0.0007179500000000 ] - [ 0.0057320700000000, -0.0093986800000000, -0.0018014300000000 ] - [ -0.0042733700000000, 0.0056584200000000, 0.0002383900000000 ] - [ 0.0184661100000000, -0.1309518200000000, 0.0969566300000000 ] - [ 0.0004935000000000, 0.0030635400000000, 0.0000564400000000 ] - [ 0.0002472600000000, -0.0005642500000000, -0.0008956400000000 ] - [ -0.0000231400000000, -0.0003666300000000, -0.0009940400000000 ] - [ 0.0000982800000000, 0.0001426000000000, -0.0008157400000000 ] - [ 0.0001697700000000, 0.0007604000000000, -0.0010051800000000 ] - [ 0.0005758500000000, 0.0013569900000000, -0.0036820400000000 ] - [ -0.0021559500000000, 0.0071344200000000, 0.0018983500000000 ] - [ -0.0019075700000000, -0.0000291800000000, 0.0046772100000000 ] - [ -0.0018125900000000, 0.0010673700000000, 0.0047734700000000 ] - [ 0.0035437200000000, -0.0007300500000000, -0.0066520600000000 ] - [ 0.0007977400000000, 0.0019940000000000, -0.0048942600000000 ] - [ 0.0047501200000000, -0.0082814100000000, -0.0015658400000000 ] - [ 0.0010955800000000, 0.0022774200000000, -0.0039081500000000 ] - [ -0.0008299600000000, -0.0000241800000000, 0.0044212900000000 ] - [ -0.0020594200000000, -0.0005433700000000, 0.0044052100000000 ] - [ 0.0021493700000000, -0.0050471600000000, 0.0009104400000000 ] - [ 0.0006066000000000, -0.0024794000000000, 0.0006218400000000 ] - [ 0.0007655900000000, 0.0032801800000000, -0.0002486500000000 ] - [ -0.0053929500000000, -0.0067607400000000, -0.0013858600000000 ] - [ -0.0053519300000000, 0.0047648800000000, -0.0027047100000000 ] - [ -0.0009352600000000, 0.0070746700000000, -0.0003849100000000 ] - [ 0.0007815700000000, 0.0024570900000000, 0.0007277500000000 ] - [ 0.0010524800000000, 0.0043907600000000, 0.0007268500000000 ] - [ 0.0025404500000000, 0.0008435900000000, -0.0035565200000000 ] - [ 0.0013838200000000, 0.0001435000000000, -0.0041295100000000 ] - [ 0.0004283400000000, -0.0053428900000000, 0.0014271800000000 ] - [ -0.0020848600000000, 0.0034523600000000, 0.0031139000000000 ] - [ 0.0005105400000000, 0.0004108400000000, 0.0107542000000000 ] - [ -0.0028042700000000, 0.0015988800000000, 0.0036739100000000 ] - [ 0.0016212300000000, -0.0007299300000000, -0.0042199400000000 ] - [ 0.0017573700000000, 0.0003142200000000, -0.0042240600000000 ] - [ 0.0055085000000000, 0.0005728600000000, 0.0011796300000000 ] - [ -0.0019459700000000, 0.0010759400000000, -0.0010156800000000 ] - [ -0.0005673000000000, -0.0008680400000000, -0.0000965800000000 ] - [ 0.0006231300000000, 0.0019427700000000, 0.0005302200000000 ] - [ 0.0024388600000000, 0.0002900500000000, 0.0016542100000000 ] - [ -0.0035669300000000, -0.0003721000000000, -0.0003729500000000 ] - [ -0.0023284900000000, -0.0013815600000000, -0.0010942100000000 ] - [ -0.0005778500000000, -0.0000830500000000, -0.0005991000000000 ] - [ 0.0000000000000000, 0.5755321000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0086467500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0085585500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0123643100000000, 0.0000000000000000 ] - [ 0.0007237700000000, -0.0056363400000000, 0.0021995600000000 ] - [ -0.0058408000000000, -0.0054174800000000, -0.0023834700000000 ] - [ 0.0001082200000000, -0.0000543100000000, 0.0013254300000000 ] - [ 0.0004047100000000, -0.0029124100000000, 0.0012119900000000 ] - [ 0.0046450600000000, 0.0014443600000000, 0.0018468900000000 ] - [ -0.0008899100000000, 0.0008787200000000, 0.0008958600000000 ] - [ -0.0032522800000000, 0.0113402500000000, -0.0027967400000000 ] - [ 0.0008720000000000, -0.0053087500000000, -0.0011829900000000 ] - [ 0.0000000000000000, -0.0005084300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0005121500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0011753200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0000684800000000, 0.0000000000000000 ] - [ -0.0001082200000000, -0.0000543100000000, -0.0013254300000000 ] - [ -0.0004047100000000, -0.0029124100000000, -0.0012119900000000 ] - [ -0.0007237700000000, -0.0056363400000000, -0.0021995600000000 ] - [ 0.0058408000000000, -0.0054174800000000, 0.0023834700000000 ] - [ 0.0032522800000000, 0.0113402500000000, 0.0027967400000000 ] - [ -0.0008720000000000, -0.0053087500000000, 0.0011829900000000 ] - [ -0.0046450600000000, 0.0014443600000000, -0.0018468900000000 ] - [ 0.0008899100000000, 0.0008787200000000, -0.0008958600000000 ] - [ -0.0000007800000000, 0.0001288200000000, 0.0000700600000000 ] - [ 0.0000382300000000, -0.0001224700000000, -0.0000555100000000 ] - [ -0.0006868800000000, -0.0021377600000000, 0.0006888300000000 ] - [ -0.0036876600000000, -0.0160945300000000, 0.0096770300000000 ] - [ 0.0006868800000000, -0.0021377600000000, -0.0006888300000000 ] - [ 0.0036876600000000, -0.0160945300000000, -0.0096770300000000 ] - [ 0.0000007800000000, 0.0001288200000000, -0.0000700600000000 ] - [ -0.0000382300000000, -0.0001224700000000, 0.0000555100000000 ] - [ 0.0008821000000000, 0.0001086900000000, 0.0013097800000000 ] - [ -0.0029262400000000, 0.0003060800000000, 0.0000686500000000 ] - [ -0.0127749500000000, 0.0269943900000000, -0.0056844800000000 ] - [ -0.0013720900000000, -0.0075735500000000, -0.0002703900000000 ] - [ 0.0372153600000000, -0.0140308500000000, -0.0065197900000000 ] - [ -0.0049295200000000, -0.0065391300000000, -0.0036333800000000 ] - [ -0.0012227300000000, 0.0014318400000000, 0.0005737000000000 ] - [ -0.0003447100000000, -0.0017967800000000, 0.0009102000000000 ] - [ 0.0127749500000000, 0.0269943900000000, 0.0056844800000000 ] - [ 0.0013720900000000, -0.0075735500000000, 0.0002703900000000 ] - [ -0.0008821000000000, 0.0001086900000000, -0.0013097800000000 ] - [ 0.0029262400000000, 0.0003060800000000, -0.0000686500000000 ] - [ 0.0012227300000000, 0.0014318400000000, -0.0005737000000000 ] - [ 0.0003447100000000, -0.0017967800000000, -0.0009102000000000 ] - [ -0.0372153600000000, -0.0140308500000000, 0.0065197900000000 ] - [ 0.0049295200000000, -0.0065391300000000, 0.0036333800000000 ]- atom: 97 displacement: [ -0.0030072416887981, 0.0000000000000000, 0.0095371115871188 ] forces: - [ 0.0001422500000000, -0.0003089300000000, -0.0007402300000000 ] - [ -0.0001107300000000, -0.0003545300000000, -0.0007995800000000 ] - [ -0.1027102800000000, 0.0614389900000000, 0.0673560200000000 ] - [ -0.0001760100000000, -0.0001666000000000, 0.0011815400000000 ] - [ 0.0046478700000000, 0.0059330000000000, -0.0090493000000000 ] - [ 0.0002797100000000, 0.0005159800000000, -0.0006685500000000 ] - [ -0.0003044100000000, 0.0004443700000000, -0.0006889700000000 ] - [ 0.0001290400000000, 0.0002566400000000, -0.0007202900000000 ] - [ 0.0000406000000000, -0.0004192200000000, 0.0010093400000000 ] - [ -0.0001711500000000, -0.0004681400000000, 0.0008566400000000 ] - [ 0.0185243400000000, 0.0929492700000000, 0.1550966800000000 ] - [ -0.0001222800000000, -0.0003305300000000, -0.0008055200000000 ] - [ 0.0009204400000000, 0.0001466800000000, -0.0069379400000000 ] - [ 0.0014558200000000, 0.0032839100000000, -0.0045866900000000 ] - [ -0.0000863000000000, 0.0004921300000000, 0.0010178800000000 ] - [ 0.0000206200000000, 0.0004346900000000, 0.0010202300000000 ] - [ -0.0011988500000000, 0.0018657800000000, 0.0026065300000000 ] - [ -0.0012146500000000, -0.0011003600000000, 0.0034600200000000 ] - [ 0.0012828900000000, 0.0003800500000000, -0.0042491700000000 ] - [ 0.0016734100000000, 0.0002328500000000, -0.0044631600000000 ] - [ 0.0021332700000000, -0.0006145300000000, -0.0047341000000000 ] - [ 0.0017367200000000, -0.0004457700000000, -0.0047771900000000 ] - [ -0.0005082700000000, 0.0032535700000000, 0.0084494200000000 ] - [ -0.0018120900000000, -0.0010802000000000, 0.0050350800000000 ] - [ 0.0018462800000000, -0.0066391900000000, 0.0009020700000000 ] - [ 0.0020175700000000, -0.0026181700000000, 0.0015282800000000 ] - [ -0.0005974400000000, -0.0030509100000000, -0.0006661200000000 ] - [ -0.0011135400000000, -0.0038202600000000, -0.0007466200000000 ] - [ -0.0015378800000000, 0.0041910400000000, -0.0007613300000000 ] - [ -0.0011075700000000, 0.0032156500000000, -0.0007358000000000 ] - [ -0.0026624000000000, -0.0005172600000000, -0.0019825100000000 ] - [ 0.0008309400000000, 0.0026646300000000, 0.0009448600000000 ] - [ 0.0044026100000000, 0.0016524300000000, -0.0075516500000000 ] - [ 0.0019304200000000, -0.0003098300000000, -0.0044811400000000 ] - [ -0.0014503700000000, 0.0000898000000000, 0.0043538700000000 ] - [ -0.0018759400000000, 0.0003265500000000, 0.0041905300000000 ] - [ -0.0020618700000000, -0.0004339600000000, 0.0036557400000000 ] - [ -0.0017788900000000, -0.0005179500000000, 0.0039710700000000 ] - [ 0.0027595900000000, -0.0006968300000000, 0.0014531500000000 ] - [ 0.0012903600000000, -0.0019151700000000, -0.0032509600000000 ] - [ 0.0014497300000000, 0.0010183900000000, -0.0003696000000000 ] - [ 0.0007875500000000, 0.0004494800000000, -0.0002499100000000 ] - [ 0.0026207700000000, 0.0007210600000000, 0.0012631400000000 ] - [ 0.0000468800000000, 0.0007331600000000, 0.0004590000000000 ] - [ -0.0035215100000000, -0.0007116000000000, -0.0005961900000000 ] - [ -0.0002350200000000, -0.0010113100000000, 0.0003761600000000 ] - [ 0.0011558100000000, -0.0012974900000000, 0.0003579000000000 ] - [ -0.0018162900000000, -0.0015693300000000, -0.0007402900000000 ] - [ -0.1049017600000000, -0.0637580200000000, 0.0650180700000000 ] - [ -0.0005008200000000, -0.0006002000000000, -0.0003015800000000 ] - [ 0.0004714400000000, -0.0004667200000000, 0.0007437800000000 ] - [ 0.0002155600000000, -0.0004189400000000, 0.0006845200000000 ] - [ 0.0000234800000000, 0.0003307300000000, 0.0007952500000000 ] - [ 0.0004566400000000, 0.0005166600000000, 0.0007635400000000 ] - [ 0.0043819600000000, -0.0051032600000000, -0.0104538400000000 ] - [ -0.0000434900000000, 0.0002547800000000, -0.0021529900000000 ] - [ 0.0156110600000000, -0.0884557300000000, 0.1514456400000000 ] - [ -0.0003619300000000, -0.0005723600000000, 0.0010437600000000 ] - [ 0.0002885900000000, -0.0005002500000000, -0.0008449500000000 ] - [ 0.0000702100000000, -0.0004450800000000, -0.0009975400000000 ] - [ 0.0001613400000000, 0.0004302200000000, -0.0008375500000000 ] - [ 0.0002625300000000, 0.0004760300000000, -0.0008324000000000 ] - [ 0.0006927700000000, 0.0008177800000000, -0.0050340600000000 ] - [ 0.0011765700000000, -0.0023472200000000, -0.0027201100000000 ] - [ -0.0020376000000000, 0.0004458000000000, 0.0048850800000000 ] - [ -0.0016445900000000, 0.0005892800000000, 0.0046704200000000 ] - [ 0.0021311100000000, -0.0010370500000000, -0.0065183400000000 ] - [ 0.0021078000000000, 0.0019313000000000, -0.0056771000000000 ] - [ 0.0027890800000000, -0.0040635400000000, -0.0006874300000000 ] - [ 0.0015092000000000, 0.0002536700000000, -0.0041008100000000 ] - [ -0.0011873300000000, -0.0002107700000000, 0.0044012900000000 ] - [ -0.0015826800000000, -0.0003774800000000, 0.0043563300000000 ] - [ 0.0016674800000000, -0.0041095400000000, 0.0008217800000000 ] - [ 0.0011543200000000, -0.0033455300000000, 0.0007416500000000 ] - [ -0.0004197000000000, -0.0005400400000000, -0.0005845400000000 ] - [ -0.0002543200000000, -0.0045424400000000, 0.0000483700000000 ] - [ -0.0049499400000000, 0.0077006700000000, -0.0034905200000000 ] - [ -0.0014313700000000, 0.0044962700000000, -0.0005449200000000 ] - [ 0.0007291200000000, 0.0029748000000000, 0.0007263600000000 ] - [ 0.0011599900000000, 0.0039468000000000, 0.0007520700000000 ] - [ 0.0022047100000000, 0.0006027900000000, -0.0036980500000000 ] - [ 0.0017797600000000, 0.0003684100000000, -0.0038600000000000 ] - [ 0.0007613900000000, -0.0009571800000000, 0.0005209800000000 ] - [ -0.0017234200000000, 0.0010021700000000, 0.0035727000000000 ] - [ -0.0008950500000000, -0.0000023000000000, 0.0094865700000000 ] - [ -0.0023659400000000, 0.0012270300000000, 0.0048010600000000 ] - [ 0.0015937100000000, -0.0002586600000000, -0.0043956300000000 ] - [ 0.0018779000000000, -0.0001786200000000, -0.0040788800000000 ] - [ 0.0029745000000000, 0.0008596300000000, 0.0004795900000000 ] - [ 0.0004115600000000, 0.0008481000000000, -0.0003197700000000 ] - [ 0.0010851400000000, 0.0005622600000000, 0.0004150900000000 ] - [ 0.0004273100000000, 0.0011299400000000, 0.0005305800000000 ] - [ 0.0007959000000000, -0.0002858100000000, 0.0011348500000000 ] - [ -0.0021862200000000, -0.0000075700000000, 0.0000385700000000 ] - [ -0.0031515500000000, -0.0008695700000000, -0.0013743100000000 ] - [ 0.0001320500000000, -0.0005700100000000, -0.0004022500000000 ] - [ 0.1821801000000000, -0.0045110200000000, -0.4781574900000000 ] - [ 0.0005905100000000, -0.0005265400000000, -0.0004337000000000 ] - [ -0.0136503900000000, 0.0003977300000000, 0.0170225500000000 ] - [ 0.0011758100000000, 0.0005276900000000, 0.0077109400000000 ] - [ -0.0006368000000000, 0.0001539800000000, -0.0036181100000000 ] - [ 0.0020402600000000, 0.0042313600000000, -0.0005355300000000 ] - [ 0.0023522500000000, -0.0015232800000000, 0.0013207800000000 ] - [ 0.0009599900000000, -0.0008588700000000, 0.0012598000000000 ] - [ -0.0009906500000000, 0.0014948500000000, 0.0010433000000000 ] - [ 0.0008860100000000, 0.0016565900000000, 0.0013116800000000 ] - [ -0.0034203300000000, -0.0000788800000000, -0.0016087700000000 ] - [ -0.0018919300000000, 0.0034988800000000, -0.0014223000000000 ] - [ -0.0004324000000000, -0.0005202900000000, -0.0000600700000000 ] - [ 0.0000116300000000, -0.0005228500000000, 0.0000776400000000 ] - [ 0.0001001000000000, 0.0005202200000000, -0.0001326400000000 ] - [ -0.0003919600000000, 0.0005233500000000, -0.0000829500000000 ] - [ 0.0003969100000000, -0.0012305000000000, -0.0012555400000000 ] - [ -0.0009962000000000, -0.0018922200000000, -0.0013190100000000 ] - [ 0.0013043700000000, -0.0028994400000000, -0.0010237300000000 ] - [ 0.0039989700000000, -0.0070038700000000, 0.0020421400000000 ] - [ -0.0014608100000000, 0.0028317600000000, 0.0009337800000000 ] - [ 0.0000586800000000, -0.0007410300000000, 0.0011540200000000 ] - [ -0.0029371000000000, 0.0012591500000000, -0.0015343500000000 ] - [ -0.0010692800000000, 0.0010960900000000, -0.0012667000000000 ] - [ -0.0000441300000000, 0.0000110000000000, -0.0000057600000000 ] - [ -0.0000140000000000, 0.0000017800000000, -0.0000050600000000 ] - [ 0.0005727300000000, 0.0006217200000000, -0.0001294800000000 ] - [ -0.0075290500000000, -0.0150447000000000, 0.0080257400000000 ] - [ 0.0005790800000000, -0.0006277600000000, -0.0001355500000000 ] - [ -0.0074255600000000, 0.0150806200000000, 0.0079842900000000 ] - [ -0.0000444900000000, -0.0000119000000000, -0.0000055400000000 ] - [ -0.0000142200000000, -0.0000024400000000, -0.0000044300000000 ] - [ -0.0017286900000000, 0.0000108500000000, 0.0004351900000000 ] - [ 0.0000376500000000, 0.0003525900000000, 0.0010398500000000 ] - [ 0.0272906500000000, -0.0137833900000000, 0.0131071800000000 ] - [ 0.0011126000000000, 0.0017876800000000, -0.0005915100000000 ] - [ -0.0239887800000000, 0.0122205000000000, 0.0061870800000000 ] - [ -0.0005695600000000, -0.0011144100000000, -0.0019131600000000 ] - [ -0.0013855900000000, -0.0007008000000000, 0.0005682200000000 ] - [ -0.0014932100000000, 0.0001948900000000, 0.0005450200000000 ] - [ 0.0253692800000000, 0.0142588000000000, 0.0146175000000000 ] - [ -0.0006231000000000, -0.0013788000000000, 0.0008752000000000 ] - [ -0.0000038700000000, 0.0004024500000000, -0.0010353500000000 ] - [ 0.0017657600000000, 0.0000603200000000, -0.0004271300000000 ] - [ 0.0003386400000000, 0.0002863500000000, -0.0009014000000000 ] - [ 0.0002323700000000, -0.0006059100000000, -0.0009235400000000 ] - [ -0.0257259800000000, -0.0126338300000000, 0.0075536700000000 ] - [ -0.0023044700000000, 0.0006983200000000, -0.0004494400000000 ]- atom: 101 displacement: [ 0.0099999367125711, 0.0000000000000000, -0.0000355773041697 ] forces: - [ -0.0034102900000000, -0.0005918500000000, -0.0018304500000000 ] - [ -0.0007332600000000, -0.0007456000000000, -0.0007669200000000 ] - [ -0.0009882500000000, 0.0010991100000000, 0.0016969100000000 ] - [ 0.0017112400000000, -0.0022569200000000, -0.0002431700000000 ] - [ -0.0029459300000000, 0.0031648400000000, 0.0006829200000000 ] - [ -0.0028732200000000, -0.0019984400000000, 0.0018501600000000 ] - [ -0.0004154300000000, -0.0000764000000000, -0.0008301400000000 ] - [ -0.0098629800000000, 0.0057433500000000, 0.0006713500000000 ] - [ -0.0049384000000000, -0.0013546500000000, -0.0030794900000000 ] - [ -0.0003813500000000, 0.0000290400000000, 0.0005380200000000 ] - [ -0.0006004100000000, 0.0005052500000000, -0.0015007700000000 ] - [ -0.0016703000000000, -0.0038922400000000, -0.0042488100000000 ] - [ -0.0026621200000000, 0.0010878000000000, -0.0004675400000000 ] - [ 0.0000958800000000, -0.0001253100000000, -0.0004794000000000 ] - [ -0.0005361400000000, -0.0005774800000000, 0.0004312500000000 ] - [ -0.0021820700000000, 0.0023129900000000, 0.0009698200000000 ] - [ 0.0796278200000000, -0.0482535300000000, -0.0591492200000000 ] - [ 0.0006242000000000, -0.0014198300000000, 0.0053064800000000 ] - [ 0.0027844100000000, -0.0028076700000000, -0.0030017900000000 ] - [ -0.0001231700000000, 0.0103542300000000, -0.0030907800000000 ] - [ 0.0051648300000000, -0.0039392500000000, -0.0163878600000000 ] - [ 0.0032633300000000, -0.0003447700000000, -0.0045239000000000 ] - [ 0.0019697600000000, 0.0024589300000000, 0.0039683800000000 ] - [ 0.0040522400000000, -0.0007193200000000, 0.0023643800000000 ] - [ 0.0062394300000000, -0.0080838900000000, 0.0045875200000000 ] - [ 0.0026910000000000, -0.0029938500000000, 0.0013556800000000 ] - [ -0.0000292100000000, -0.0101632200000000, -0.0009025800000000 ] - [ 0.0009972300000000, 0.0011498400000000, -0.0001669500000000 ] - [ -0.0009732800000000, -0.0127042400000000, -0.0012793500000000 ] - [ 0.0000930800000000, 0.0087163000000000, -0.0008747700000000 ] - [ 0.0033751800000000, 0.0063906300000000, 0.0014924800000000 ] - [ 0.1245460900000000, 0.1117059000000000, 0.0103510600000000 ] - [ 0.0035003300000000, 0.0051122000000000, -0.0007220700000000 ] - [ 0.0041753700000000, -0.0013725100000000, 0.0014220000000000 ] - [ -0.0052483400000000, -0.0021568700000000, 0.0118830900000000 ] - [ -0.0005388000000000, 0.0002199000000000, 0.0047349700000000 ] - [ -0.0003452800000000, -0.0036061800000000, 0.0030476300000000 ] - [ -0.0006376400000000, 0.0089435400000000, 0.0021132800000000 ] - [ 0.0577127600000000, -0.0182649500000000, 0.0203549400000000 ] - [ 0.0042925400000000, -0.0030658900000000, -0.0036993700000000 ] - [ 0.0075949100000000, 0.0013996500000000, 0.0017737800000000 ] - [ 0.0129388100000000, 0.0031324300000000, 0.0035350800000000 ] - [ 0.0168624700000000, -0.0032140300000000, 0.0097821700000000 ] - [ 0.0063440500000000, 0.0007651900000000, 0.0022333900000000 ] - [ 0.0132843700000000, -0.0039460200000000, 0.0030245400000000 ] - [ 0.0159135600000000, 0.0029475800000000, 0.0046077900000000 ] - [ 0.3245473300000000, -0.0497026100000000, 0.0260480300000000 ] - [ 0.0065421500000000, -0.0013149900000000, 0.0013424900000000 ] - [ -0.0020375000000000, -0.0003254300000000, -0.0012512900000000 ] - [ -0.0030120500000000, -0.0025730700000000, -0.0011614800000000 ] - [ -0.0041040800000000, 0.0013891600000000, 0.0003246000000000 ] - [ -0.0015507800000000, 0.0002110200000000, 0.0006322900000000 ] - [ -0.0019078400000000, -0.0007160900000000, 0.0007543300000000 ] - [ -0.0044017500000000, -0.0005211700000000, 0.0007640100000000 ] - [ -0.0050305100000000, 0.0027477600000000, -0.0003655500000000 ] - [ -0.0020307300000000, 0.0004254200000000, -0.0007866900000000 ] - [ -0.0010647500000000, 0.0000816600000000, 0.0001156600000000 ] - [ -0.0016433000000000, -0.0017959700000000, -0.0004143600000000 ] - [ -0.0021802100000000, -0.0006762800000000, -0.0031397300000000 ] - [ -0.0009124000000000, -0.0000052100000000, -0.0014111200000000 ] - [ -0.0012391300000000, -0.0005955700000000, -0.0013269300000000 ] - [ -0.0022387100000000, 0.0015745200000000, -0.0026233400000000 ] - [ -0.0033090400000000, 0.0017608400000000, -0.0002314000000000 ] - [ -0.0010826200000000, 0.0001430000000000, 0.0004050900000000 ] - [ -0.0028631700000000, 0.0005838700000000, 0.0045842600000000 ] - [ -0.0032201300000000, 0.0010375400000000, 0.0046608200000000 ] - [ 0.0000027000000000, 0.0000381800000000, -0.0044162400000000 ] - [ 0.0005085500000000, 0.0000016500000000, -0.0045317900000000 ] - [ 0.0003608000000000, 0.0002107000000000, -0.0045060800000000 ] - [ 0.0003148700000000, -0.0003317500000000, -0.0046039100000000 ] - [ -0.0032981500000000, -0.0009693500000000, 0.0046781700000000 ] - [ -0.0027740000000000, -0.0006314600000000, 0.0045604900000000 ] - [ -0.0005087900000000, -0.0032458700000000, 0.0003370100000000 ] - [ -0.0003310300000000, -0.0024694800000000, 0.0003034400000000 ] - [ -0.0033607200000000, -0.0046371100000000, -0.0013768700000000 ] - [ -0.0022573000000000, -0.0040074500000000, -0.0010528900000000 ] - [ -0.0022964800000000, 0.0044298600000000, -0.0010683300000000 ] - [ -0.0028927700000000, 0.0040915600000000, -0.0011599500000000 ] - [ -0.0005134200000000, 0.0024054700000000, 0.0002714400000000 ] - [ -0.0001955500000000, 0.0033195600000000, 0.0004157300000000 ] - [ 0.0005180400000000, -0.0003128400000000, -0.0049783300000000 ] - [ 0.0008718300000000, 0.0000341500000000, -0.0046303400000000 ] - [ -0.0029315000000000, 0.0011649700000000, 0.0032007000000000 ] - [ -0.0030219700000000, 0.0004341000000000, 0.0033399100000000 ] - [ -0.0030582200000000, -0.0007421100000000, 0.0031329200000000 ] - [ -0.0027943200000000, -0.0009034800000000, 0.0033413800000000 ] - [ 0.0008194300000000, -0.0001139600000000, -0.0046757200000000 ] - [ 0.0006013300000000, 0.0004085300000000, -0.0049263000000000 ] - [ -0.0041766000000000, 0.0005090000000000, -0.0016034100000000 ] - [ -0.0032767200000000, 0.0006279100000000, -0.0013466300000000 ] - [ -0.0036726900000000, 0.0010722400000000, -0.0005964600000000 ] - [ -0.0045451400000000, 0.0009038500000000, -0.0008113900000000 ] - [ -0.0045878100000000, -0.0010597400000000, -0.0008229200000000 ] - [ -0.0034792700000000, -0.0009920600000000, -0.0005332700000000 ] - [ -0.0036241900000000, -0.0006216400000000, -0.0014416300000000 ] - [ -0.0036863800000000, -0.0004974800000000, -0.0014612400000000 ] - [ 0.0020901400000000, -0.0021957000000000, 0.0010154500000000 ] - [ 0.0017884500000000, 0.0043316400000000, 0.0037212300000000 ] - [ 0.0090496300000000, -0.0017431700000000, 0.0003146700000000 ] - [ 0.0024312600000000, 0.0023637000000000, -0.0001969100000000 ] - [ -0.6481239100000000, 0.0025846700000000, -0.0121724700000000 ] - [ -0.0084178800000000, -0.0004111600000000, -0.0031465500000000 ] - [ -0.0091134600000000, 0.0139508900000000, -0.0001635600000000 ] - [ -0.0091247300000000, -0.0187404300000000, 0.0008425900000000 ] - [ -0.0123378600000000, 0.0173769100000000, -0.0010577200000000 ] - [ -0.0060572300000000, -0.0010198400000000, -0.0002830500000000 ] - [ -0.0092526900000000, -0.0021759400000000, -0.0046979700000000 ] - [ -0.0189051100000000, 0.0008216000000000, -0.0086535600000000 ] - [ 0.0064096900000000, -0.0013748000000000, 0.0034557600000000 ] - [ 0.0016362700000000, -0.0010955800000000, 0.0004991100000000 ] - [ 0.0018706500000000, 0.0023875500000000, 0.0004945700000000 ] - [ 0.0078525500000000, -0.0031503700000000, 0.0004190900000000 ] - [ 0.0031406700000000, -0.0010341600000000, -0.0003730800000000 ] - [ 0.0031423500000000, -0.0022061500000000, -0.0003589400000000 ] - [ 0.0057244700000000, -0.0010537200000000, 0.0022499600000000 ] - [ 0.0044884300000000, -0.0011401000000000, 0.0021302600000000 ] - [ 0.0046318700000000, 0.0006210800000000, 0.0022163200000000 ] - [ 0.0057869000000000, 0.0020430000000000, 0.0023798500000000 ] - [ 0.0036263900000000, 0.0020155600000000, -0.0002512200000000 ] - [ 0.0027850600000000, 0.0011321800000000, -0.0004241000000000 ] - [ 0.0005092600000000, 0.0003776100000000, 0.0003357000000000 ] - [ 0.0005917300000000, -0.0006446100000000, -0.0001305300000000 ] - [ 0.0008035600000000, 0.0007936000000000, -0.0001790500000000 ] - [ 0.0000924400000000, -0.0000903600000000, 0.0000677500000000 ] - [ 0.0032542700000000, 0.0003785800000000, 0.0011823600000000 ] - [ 0.0001898300000000, -0.0002529000000000, -0.0000653100000000 ] - [ 0.0012835700000000, 0.0008513400000000, -0.0001288400000000 ] - [ 0.0002861600000000, -0.0003971200000000, 0.0002758800000000 ] - [ 0.0747908800000000, -0.0021944100000000, 0.0284870300000000 ] - [ -0.0046145900000000, -0.0001413700000000, -0.0004471000000000 ] - [ -0.0137105800000000, -0.0225253000000000, 0.0014328900000000 ] - [ -0.0104882600000000, 0.0324873400000000, -0.0031035000000000 ] - [ -0.0021859000000000, -0.0052899200000000, -0.0238521700000000 ] - [ -0.0053888100000000, 0.0022601600000000, -0.0027356700000000 ] - [ -0.0046419000000000, 0.0045022300000000, -0.0007649400000000 ] - [ -0.0019015400000000, -0.0101718900000000, -0.0009977200000000 ] - [ 0.0052344700000000, -0.0013987500000000, 0.0020625100000000 ] - [ 0.0048117600000000, 0.0009318600000000, 0.0027545200000000 ] - [ 0.0082026900000000, 0.0008873600000000, 0.0015570400000000 ] - [ 0.0056195300000000, 0.0003096800000000, 0.0006963000000000 ] - [ 0.0059499900000000, 0.0001906300000000, 0.0009803100000000 ] - [ 0.0079772400000000, -0.0012373600000000, 0.0014331300000000 ] - [ 0.0062577600000000, -0.0011185300000000, 0.0036475900000000 ] - [ 0.0042202100000000, 0.0007963600000000, 0.0020412300000000 ]- atom: 101 displacement: [ -0.0099999367125711, 0.0000000000000000, 0.0000355773041697 ] forces: - [ 0.0030782000000000, -0.0001913800000000, 0.0003527000000000 ] - [ 0.0004062500000000, -0.0000325900000000, -0.0007170200000000 ] - [ 0.0013003200000000, -0.0018836600000000, -0.0002145600000000 ] - [ -0.0013915800000000, 0.0014889800000000, 0.0017252600000000 ] - [ 0.0032860600000000, -0.0024299300000000, 0.0007938500000000 ] - [ 0.0031820900000000, 0.0027742800000000, -0.0003626700000000 ] - [ 0.0000863700000000, 0.0008583400000000, -0.0006538100000000 ] - [ 0.0095577400000000, -0.0049821800000000, -0.0021634100000000 ] - [ 0.0047128200000000, 0.0004622400000000, 0.0049410100000000 ] - [ 0.0001360400000000, -0.0009362500000000, 0.0013055000000000 ] - [ 0.0008462500000000, -0.0014294800000000, -0.0003485100000000 ] - [ 0.0018990700000000, 0.0030167200000000, 0.0024098800000000 ] - [ 0.0029070800000000, -0.0001853300000000, -0.0014088500000000 ] - [ 0.0001535700000000, 0.0010488700000000, -0.0013770600000000 ] - [ 0.0002889100000000, 0.0014905900000000, 0.0014118300000000 ] - [ 0.0019313200000000, -0.0014041500000000, 0.0008715700000000 ] - [ -0.0826662500000000, 0.0502048200000000, 0.0698350400000000 ] - [ -0.0039359600000000, 0.0022267400000000, 0.0038278400000000 ] - [ 0.0005270200000000, 0.0036277300000000, -0.0061247600000000 ] - [ 0.0034262400000000, -0.0095410900000000, -0.0060550300000000 ] - [ -0.0018830600000000, 0.0031246000000000, 0.0072447400000000 ] - [ 0.0000534200000000, -0.0004733900000000, -0.0046058100000000 ] - [ -0.0052756600000000, -0.0032632600000000, 0.0051561700000000 ] - [ -0.0073537900000000, -0.0000997100000000, 0.0067481000000000 ] - [ -0.0039781500000000, 0.0009051100000000, -0.0031147600000000 ] - [ -0.0004288000000000, -0.0041530100000000, 0.0001334800000000 ] - [ -0.0022382300000000, 0.0029921400000000, -0.0005870900000000 ] - [ -0.0032623900000000, -0.0083146200000000, -0.0013204400000000 ] - [ -0.0013203600000000, 0.0198883000000000, -0.0002216100000000 ] - [ -0.0023542300000000, -0.0015541700000000, -0.0006145400000000 ] - [ -0.0011089700000000, 0.0007795300000000, -0.0000036400000000 ] - [ -0.1230811000000000, -0.1089603000000000, -0.0092184000000000 ] - [ 0.0001514700000000, -0.0043874100000000, -0.0073154900000000 ] - [ -0.0005248000000000, 0.0020737300000000, -0.0094517000000000 ] - [ 0.0015700000000000, 0.0028633600000000, -0.0038585800000000 ] - [ -0.0031180500000000, 0.0004805700000000, 0.0033115200000000 ] - [ -0.0033145400000000, 0.0029076900000000, 0.0049948300000000 ] - [ -0.0030284600000000, -0.0096648500000000, 0.0059373000000000 ] - [ -0.0534800700000000, 0.0169321200000000, -0.0275424100000000 ] - [ -0.0006270900000000, 0.0023505800000000, -0.0043509400000000 ] - [ -0.0072275100000000, 0.0001805900000000, -0.0025520500000000 ] - [ -0.0125750300000000, -0.0015479500000000, -0.0043079200000000 ] - [ -0.0172229900000000, 0.0047836300000000, -0.0089717800000000 ] - [ -0.0066978800000000, 0.0008147700000000, -0.0014517300000000 ] - [ -0.0136364800000000, 0.0023423400000000, -0.0022453100000000 ] - [ -0.0162552400000000, -0.0045235900000000, -0.0038238600000000 ] - [ -0.3006451600000000, 0.0438893700000000, -0.0232162300000000 ] - [ -0.0061773100000000, -0.0002645000000000, -0.0021203100000000 ] - [ 0.0016915500000000, -0.0004663700000000, -0.0002283100000000 ] - [ 0.0026754800000000, 0.0018003300000000, -0.0003246200000000 ] - [ 0.0044456700000000, -0.0021767800000000, 0.0011615300000000 ] - [ 0.0018858600000000, -0.0009917500000000, 0.0008513900000000 ] - [ 0.0022415500000000, 0.0014979000000000, 0.0007298700000000 ] - [ 0.0047466600000000, 0.0013031500000000, 0.0007192400000000 ] - [ 0.0047165800000000, -0.0019795700000000, -0.0011213600000000 ] - [ 0.0016805600000000, 0.0003683300000000, -0.0006938500000000 ] - [ 0.0008038200000000, -0.0010102800000000, 0.0017348500000000 ] - [ 0.0014005600000000, 0.0008952700000000, 0.0022641500000000 ] - [ 0.0024351000000000, -0.0002332000000000, 0.0013076500000000 ] - [ 0.0011686700000000, -0.0009134000000000, -0.0004339500000000 ] - [ 0.0014905700000000, 0.0015011400000000, -0.0005129300000000 ] - [ 0.0024901700000000, -0.0006736600000000, 0.0007841300000000 ] - [ 0.0030802900000000, -0.0008716500000000, 0.0020731200000000 ] - [ 0.0008222300000000, 0.0007772300000000, 0.0014384400000000 ] - [ -0.0004485000000000, 0.0002315400000000, 0.0045433400000000 ] - [ -0.0000918600000000, -0.0002192300000000, 0.0044684300000000 ] - [ 0.0033157700000000, 0.0007816800000000, -0.0047104200000000 ] - [ 0.0028052100000000, 0.0008169500000000, -0.0045947000000000 ] - [ 0.0029544400000000, -0.0010310700000000, -0.0046225700000000 ] - [ 0.0030022000000000, -0.0004834600000000, -0.0045231600000000 ] - [ -0.0000114800000000, 0.0001547000000000, 0.0044485600000000 ] - [ -0.0005389000000000, -0.0001888100000000, 0.0045661400000000 ] - [ 0.0027802500000000, -0.0039157800000000, 0.0011527700000000 ] - [ 0.0025968600000000, -0.0047001900000000, 0.0011854400000000 ] - [ 0.0011076600000000, -0.0025205900000000, -0.0001075700000000 ] - [ -0.0000098400000000, -0.0031615800000000, -0.0004360100000000 ] - [ 0.0000309100000000, 0.0027244400000000, -0.0004203900000000 ] - [ 0.0006356900000000, 0.0030708600000000, -0.0003271200000000 ] - [ 0.0027824000000000, 0.0047677400000000, 0.0012178300000000 ] - [ 0.0024630300000000, 0.0038429900000000, 0.0010723700000000 ] - [ 0.0031434000000000, 0.0010173300000000, -0.0030626800000000 ] - [ 0.0027859000000000, 0.0006647000000000, -0.0034116000000000 ] - [ -0.0007253900000000, -0.0004688800000000, 0.0048451600000000 ] - [ -0.0006324000000000, 0.0002689700000000, 0.0047063400000000 ] - [ -0.0005966300000000, 0.0000416900000000, 0.0049106400000000 ] - [ -0.0008637200000000, 0.0002047900000000, 0.0047017500000000 ] - [ 0.0028403900000000, -0.0005885000000000, -0.0033671200000000 ] - [ 0.0030586300000000, -0.0011094300000000, -0.0031172700000000 ] - [ 0.0045413600000000, 0.0010719400000000, 0.0008249600000000 ] - [ 0.0036325000000000, 0.0009504700000000, 0.0005659300000000 ] - [ 0.0033217000000000, 0.0005052200000000, 0.0013786200000000 ] - [ 0.0042030600000000, 0.0006764600000000, 0.0015958300000000 ] - [ 0.0042453000000000, -0.0005168900000000, 0.0016075100000000 ] - [ 0.0031284500000000, -0.0005879000000000, 0.0013157100000000 ] - [ 0.0039844700000000, -0.0009585700000000, 0.0006620400000000 ] - [ 0.0040522500000000, -0.0010826200000000, 0.0006828700000000 ] - [ -0.0020778500000000, 0.0011671500000000, -0.0010185100000000 ] - [ -0.0017714900000000, -0.0054062000000000, -0.0037288400000000 ] - [ -0.0091183900000000, 0.0028021500000000, -0.0002962400000000 ] - [ -0.0024067600000000, -0.0013214200000000, 0.0002017700000000 ] - [ 0.6221541700000000, 0.0029341600000000, 0.0038017400000000 ] - [ 0.0064421600000000, -0.0023359100000000, 0.0005590600000000 ] - [ 0.0111103300000000, -0.0166811500000000, 0.0027552400000000 ] - [ 0.0110912900000000, 0.0159935600000000, 0.0017579800000000 ] - [ 0.0143375400000000, -0.0146177500000000, 0.0036438500000000 ] - [ 0.0080177000000000, 0.0037773100000000, 0.0028660700000000 ] - [ 0.0072757100000000, 0.0049192800000000, 0.0021073900000000 ] - [ 0.0169296100000000, 0.0019215700000000, 0.0060651100000000 ] - [ -0.0064210200000000, 0.0003357800000000, -0.0034722200000000 ] - [ -0.0016385000000000, 0.0000487800000000, -0.0004967200000000 ] - [ -0.0018751000000000, -0.0013435800000000, -0.0004946200000000 ] - [ -0.0078732400000000, 0.0042096500000000, -0.0004209300000000 ] - [ -0.0051152300000000, -0.0017223300000000, -0.0022125000000000 ] - [ -0.0051144600000000, -0.0005488900000000, -0.0022262800000000 ] - [ -0.0037724500000000, -0.0017017200000000, 0.0003329200000000 ] - [ -0.0025271400000000, -0.0016135400000000, 0.0004527400000000 ] - [ -0.0026684100000000, 0.0021411900000000, 0.0003665200000000 ] - [ -0.0038383900000000, 0.0007026900000000, 0.0001997600000000 ] - [ -0.0056021600000000, 0.0007363600000000, -0.0023353800000000 ] - [ -0.0047540300000000, 0.0016256900000000, -0.0021606100000000 ] - [ -0.0005102500000000, -0.0003797800000000, -0.0003360200000000 ] - [ -0.0005936100000000, 0.0006466800000000, 0.0001301300000000 ] - [ -0.0008052800000000, -0.0008003100000000, 0.0001819400000000 ] - [ -0.0000899700000000, 0.0000905900000000, -0.0000674100000000 ] - [ -0.0032624600000000, -0.0003762100000000, -0.0011883700000000 ] - [ -0.0001880800000000, 0.0002533900000000, 0.0000664700000000 ] - [ -0.0012878200000000, -0.0008583700000000, 0.0001305400000000 ] - [ -0.0002854500000000, 0.0004005100000000, -0.0002767900000000 ] - [ -0.0761899000000000, 0.0025357100000000, -0.0269057000000000 ] - [ 0.0029041600000000, 0.0005576900000000, 0.0019208500000000 ] - [ 0.0155223700000000, 0.0229306600000000, -0.0029186900000000 ] - [ 0.0122234300000000, -0.0321379200000000, 0.0016268500000000 ] - [ 0.0039234900000000, 0.0049162800000000, 0.0224343100000000 ] - [ 0.0071027400000000, -0.0026709900000000, 0.0012551500000000 ] - [ 0.0029343000000000, -0.0049071600000000, 0.0022400600000000 ] - [ 0.0002126000000000, 0.0097521800000000, 0.0024716400000000 ] - [ -0.0069467200000000, 0.0018233200000000, -0.0005783800000000 ] - [ -0.0065158100000000, -0.0005310400000000, -0.0012788100000000 ] - [ -0.0065164500000000, -0.0004789600000000, -0.0030399600000000 ] - [ -0.0039274100000000, 0.0001046200000000, -0.0021776000000000 ] - [ -0.0042592300000000, -0.0006017700000000, -0.0024614700000000 ] - [ -0.0062913800000000, 0.0008290500000000, -0.0029156000000000 ] - [ -0.0079756000000000, 0.0007225700000000, -0.0021837700000000 ] - [ -0.0059210900000000, -0.0012141400000000, -0.0005579600000000 ]- atom: 101 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010945100000000, 0.0008708100000000, -0.0007242000000000 ] - [ -0.0015695000000000, -0.0016671200000000, -0.0005617700000000 ] - [ 0.0097455700000000, -0.0062139900000000, 0.0023380700000000 ] - [ -0.0004234800000000, -0.0023879400000000, -0.0012367000000000 ] - [ 0.0136771100000000, 0.0033136800000000, 0.0010111000000000 ] - [ -0.0086501600000000, -0.0060894000000000, 0.0026613600000000 ] - [ -0.0004610500000000, -0.0001749100000000, -0.0010285100000000 ] - [ 0.0015332600000000, 0.0002907900000000, -0.0009464200000000 ] - [ 0.0004038600000000, 0.0005891100000000, 0.0010723500000000 ] - [ -0.0001672100000000, -0.0013108500000000, 0.0013224900000000 ] - [ 0.0043248400000000, -0.0033979700000000, 0.0009118100000000 ] - [ -0.0063815200000000, -0.0045673100000000, -0.0089142500000000 ] - [ 0.0054698100000000, 0.0060125700000000, 0.0007806500000000 ] - [ -0.0012295800000000, -0.0028790700000000, -0.0000442100000000 ] - [ -0.0008796100000000, 0.0003277600000000, 0.0002901900000000 ] - [ 0.0006692800000000, 0.0002868000000000, 0.0012744600000000 ] - [ -0.0485077900000000, 0.1284356600000000, 0.1006356000000000 ] - [ -0.0006551300000000, -0.0068658900000000, 0.0045469800000000 ] - [ -0.0020428300000000, -0.0020285900000000, -0.0037613500000000 ] - [ 0.0053722100000000, 0.0017480300000000, -0.0056100600000000 ] - [ -0.0023656000000000, 0.0047370300000000, -0.0013763700000000 ] - [ 0.0023249700000000, -0.0027922300000000, -0.0048604600000000 ] - [ -0.0047646600000000, -0.0077459400000000, 0.0081553400000000 ] - [ 0.0017282400000000, -0.0016599300000000, -0.0032550400000000 ] - [ -0.0017881100000000, 0.0175795300000000, -0.0005686800000000 ] - [ 0.0028054100000000, -0.0147625400000000, 0.0013470800000000 ] - [ -0.0041912700000000, -0.0033039800000000, -0.0014666200000000 ] - [ -0.0007251400000000, -0.0055233400000000, -0.0005622100000000 ] - [ -0.0050577900000000, 0.0097149100000000, -0.0014918700000000 ] - [ 0.0027118100000000, -0.0015779400000000, 0.0000077000000000 ] - [ -0.0011968100000000, -0.0105742500000000, 0.0000343600000000 ] - [ 0.1216271500000000, 0.2411833500000000, 0.0173616000000000 ] - [ 0.0013923000000000, -0.0072540000000000, -0.0075434000000000 ] - [ 0.0000088500000000, -0.0025323100000000, 0.0040585500000000 ] - [ -0.0031921200000000, 0.0050089900000000, 0.0003050600000000 ] - [ -0.0012981300000000, -0.0021684300000000, 0.0045127500000000 ] - [ -0.0049094700000000, -0.0030924400000000, 0.0019135300000000 ] - [ 0.0009085100000000, 0.0009828600000000, 0.0066469700000000 ] - [ -0.0169785900000000, 0.1145205800000000, -0.0956851700000000 ] - [ 0.0032311100000000, -0.0089236500000000, -0.0038320400000000 ] - [ -0.0045445400000000, -0.0024049200000000, -0.0017092600000000 ] - [ 0.0031789900000000, 0.0034641900000000, 0.0014286100000000 ] - [ -0.0155854400000000, 0.0034642000000000, -0.0051885600000000 ] - [ 0.0020957000000000, -0.0012373600000000, 0.0009284300000000 ] - [ -0.0136900800000000, -0.0064328100000000, -0.0029567100000000 ] - [ 0.0126950500000000, -0.0050196300000000, 0.0037249600000000 ] - [ -0.0404213400000000, 0.0582386700000000, -0.0046139700000000 ] - [ 0.0005103600000000, -0.0040110500000000, -0.0002509600000000 ] - [ 0.0047078800000000, 0.0011394200000000, -0.0006898700000000 ] - [ -0.0039597500000000, -0.0030773900000000, -0.0017220600000000 ] - [ 0.0004618000000000, -0.0001525000000000, 0.0008375500000000 ] - [ 0.0001526700000000, -0.0007664000000000, 0.0007278600000000 ] - [ -0.0002966300000000, 0.0000057400000000, 0.0007278300000000 ] - [ 0.0011237700000000, 0.0008598100000000, 0.0006868500000000 ] - [ 0.0043281900000000, 0.0007306000000000, -0.0003349800000000 ] - [ -0.0022964600000000, -0.0003086400000000, -0.0007739300000000 ] - [ 0.0023976100000000, -0.0024086300000000, 0.0032640100000000 ] - [ -0.0016904500000000, 0.0000510400000000, -0.0021292400000000 ] - [ 0.0002937200000000, 0.0001313700000000, -0.0005835700000000 ] - [ 0.0000974000000000, -0.0010099100000000, -0.0010380800000000 ] - [ -0.0000692600000000, 0.0004185100000000, -0.0011660800000000 ] - [ 0.0005577100000000, 0.0004223200000000, -0.0005920900000000 ] - [ 0.0008436000000000, 0.0051917200000000, 0.0039346000000000 ] - [ -0.0009513400000000, -0.0021093500000000, -0.0002665200000000 ] - [ -0.0014971400000000, 0.0002545900000000, 0.0045561100000000 ] - [ -0.0016480800000000, 0.0005031400000000, 0.0045355700000000 ] - [ 0.0022912600000000, 0.0013818000000000, -0.0046804300000000 ] - [ 0.0012475200000000, -0.0004327700000000, -0.0043408200000000 ] - [ 0.0024111300000000, -0.0009007400000000, -0.0047972500000000 ] - [ 0.0011460900000000, -0.0001099000000000, -0.0044760100000000 ] - [ -0.0014213600000000, -0.0000433500000000, 0.0045006700000000 ] - [ -0.0017649200000000, -0.0007330800000000, 0.0046337500000000 ] - [ 0.0012042100000000, -0.0033838300000000, 0.0007490100000000 ] - [ 0.0012099400000000, -0.0038546800000000, 0.0007852300000000 ] - [ -0.0016515300000000, -0.0019890800000000, -0.0007561200000000 ] - [ -0.0010421500000000, -0.0051087700000000, -0.0008125000000000 ] - [ -0.0005271300000000, 0.0018451100000000, -0.0004880000000000 ] - [ -0.0015150900000000, 0.0051499100000000, -0.0009262000000000 ] - [ 0.0013351600000000, 0.0040157700000000, 0.0008013000000000 ] - [ 0.0010770900000000, 0.0032245500000000, 0.0007228700000000 ] - [ 0.0020141600000000, 0.0007617600000000, -0.0038509200000000 ] - [ 0.0017584400000000, -0.0000088900000000, -0.0041237200000000 ] - [ -0.0013911900000000, -0.0001196700000000, 0.0045723300000000 ] - [ -0.0022033400000000, 0.0005819000000000, 0.0037342600000000 ] - [ -0.0013947700000000, 0.0007434500000000, 0.0044170800000000 ] - [ -0.0020658300000000, -0.0013241900000000, 0.0035649300000000 ] - [ 0.0019855500000000, -0.0005464200000000, -0.0039311700000000 ] - [ 0.0017908700000000, -0.0002224300000000, -0.0040045600000000 ] - [ 0.0010146000000000, 0.0010535700000000, -0.0001326900000000 ] - [ -0.0002964100000000, 0.0005570100000000, -0.0005440400000000 ] - [ 0.0004567200000000, 0.0004567100000000, 0.0005515500000000 ] - [ -0.0005803500000000, 0.0009934900000000, 0.0003073800000000 ] - [ 0.0002964000000000, -0.0003302800000000, 0.0005259900000000 ] - [ -0.0001843700000000, -0.0012191800000000, 0.0003643700000000 ] - [ 0.0012709600000000, -0.0008363000000000, -0.0000542600000000 ] - [ -0.0004029000000000, -0.0007759300000000, -0.0005768500000000 ] - [ -0.0101836900000000, 0.0037430300000000, -0.0016200700000000 ] - [ 0.0048291200000000, 0.0035137700000000, 0.0074189300000000 ] - [ -0.0129279700000000, -0.0094981000000000, -0.0025438000000000 ] - [ 0.0056718200000000, 0.0072217700000000, -0.0004384400000000 ] - [ 0.0065030100000000, -0.6324338100000000, -0.0146716300000000 ] - [ -0.0000254800000000, 0.0134145400000000, -0.0015595200000000 ] - [ 0.0184382500000000, 0.0001021000000000, 0.0043598200000000 ] - [ -0.0143147700000000, 0.0001089700000000, -0.0013568700000000 ] - [ 0.0169890900000000, -0.0078455800000000, 0.0051971200000000 ] - [ -0.0014157700000000, 0.0060940100000000, 0.0007438600000000 ] - [ 0.0025679000000000, 0.0166084500000000, -0.0007938300000000 ] - [ -0.0004342500000000, -0.0135127400000000, -0.0015379100000000 ] - [ -0.0010035100000000, -0.0018488200000000, -0.0001662100000000 ] - [ 0.0007011200000000, 0.0010196800000000, -0.0003177800000000 ] - [ 0.0008119200000000, 0.0010158900000000, 0.0005500200000000 ] - [ -0.0015368000000000, 0.0004607500000000, -0.0003606500000000 ] - [ -0.0018126100000000, -0.0013401700000000, -0.0014552300000000 ] - [ -0.0006380800000000, -0.0013385600000000, -0.0012193600000000 ] - [ 0.0006613600000000, -0.0036932800000000, 0.0012231900000000 ] - [ 0.0007493700000000, 0.0008852200000000, 0.0013108100000000 ] - [ 0.0002269700000000, 0.0029772600000000, 0.0011521600000000 ] - [ 0.0016561300000000, 0.0003953700000000, 0.0014347200000000 ] - [ -0.0016215000000000, 0.0006707000000000, -0.0014255700000000 ] - [ -0.0007344900000000, 0.0020715300000000, -0.0012557800000000 ] - [ 0.0003155400000000, -0.0002259300000000, -0.0000137800000000 ] - [ -0.0002530700000000, 0.0002513700000000, 0.0000522800000000 ] - [ -0.0003477300000000, -0.0019459600000000, 0.0009041300000000 ] - [ 0.0002199000000000, 0.0013657300000000, -0.0005994100000000 ] - [ 0.0054853300000000, -0.0016693000000000, 0.0014447300000000 ] - [ -0.0009115700000000, 0.0016331100000000, 0.0005825100000000 ] - [ 0.0001398200000000, -0.0002363800000000, 0.0002002000000000 ] - [ -0.0002153900000000, 0.0002106600000000, -0.0001777800000000 ] - [ -0.0114682800000000, -0.0088765000000000, -0.0033785300000000 ] - [ -0.0008864700000000, 0.0078839700000000, 0.0007366400000000 ] - [ -0.0151133700000000, 0.0613193000000000, -0.0045187900000000 ] - [ 0.0093111200000000, 0.0731552900000000, 0.0034238000000000 ] - [ -0.0093758000000000, -0.0077374000000000, -0.0021844400000000 ] - [ 0.0006381300000000, 0.0146988400000000, -0.0005580800000000 ] - [ 0.0044574800000000, 0.0041279800000000, 0.0024394100000000 ] - [ -0.0063743600000000, -0.0033032500000000, -0.0009179900000000 ] - [ -0.0048658500000000, 0.0010721700000000, -0.0005788400000000 ] - [ 0.0017132100000000, -0.0001733100000000, 0.0018661100000000 ] - [ 0.0000900700000000, -0.0007784900000000, -0.0008549700000000 ] - [ 0.0009489100000000, 0.0011064000000000, -0.0008062200000000 ] - [ 0.0005900600000000, 0.0002043300000000, -0.0007445000000000 ] - [ 0.0005242100000000, -0.0005924200000000, -0.0009329200000000 ] - [ -0.0037109600000000, -0.0037176400000000, 0.0002540200000000 ] - [ 0.0014759400000000, 0.0025647700000000, 0.0009040600000000 ]- atom: 101 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014372600000000, -0.0016585900000000, -0.0007558400000000 ] - [ 0.0012236000000000, 0.0008820700000000, -0.0009225400000000 ] - [ -0.0094355900000000, 0.0054613100000000, -0.0008540900000000 ] - [ 0.0007779200000000, 0.0015949800000000, 0.0027104500000000 ] - [ -0.0132840000000000, -0.0025041400000000, 0.0004596100000000 ] - [ 0.0089861900000000, 0.0068635900000000, -0.0011735000000000 ] - [ 0.0001118000000000, 0.0009616600000000, -0.0004541900000000 ] - [ -0.0018639100000000, 0.0004813000000000, -0.0005390300000000 ] - [ -0.0006578200000000, -0.0015030600000000, 0.0007761600000000 ] - [ -0.0000773800000000, 0.0004184200000000, 0.0005114800000000 ] - [ -0.0040562800000000, 0.0024866200000000, -0.0027321300000000 ] - [ 0.0066120900000000, 0.0036493100000000, 0.0070440700000000 ] - [ -0.0052373300000000, -0.0050939600000000, -0.0026390100000000 ] - [ 0.0014886200000000, 0.0037933000000000, -0.0017964300000000 ] - [ 0.0006278600000000, 0.0005875200000000, 0.0015537800000000 ] - [ -0.0009101600000000, 0.0005981100000000, 0.0005604200000000 ] - [ 0.0426017100000000, -0.1253369200000000, -0.0866791700000000 ] - [ -0.0026533800000000, 0.0076706300000000, 0.0045843300000000 ] - [ 0.0053329900000000, 0.0028439100000000, -0.0053553600000000 ] - [ -0.0020752600000000, -0.0009421800000000, -0.0035151200000000 ] - [ 0.0056856100000000, -0.0055556000000000, -0.0077312200000000 ] - [ 0.0009917500000000, 0.0019712500000000, -0.0042717500000000 ] - [ 0.0014393500000000, 0.0069293100000000, 0.0010151600000000 ] - [ -0.0050300100000000, 0.0008600900000000, 0.0123948500000000 ] - [ 0.0040498800000000, -0.0247627200000000, 0.0020691000000000 ] - [ -0.0005411900000000, 0.0075980900000000, 0.0001421800000000 ] - [ 0.0019410400000000, -0.0038297000000000, -0.0000199900000000 ] - [ -0.0015438600000000, -0.0016456800000000, -0.0009273400000000 ] - [ 0.0027663900000000, -0.0025134600000000, -0.0000012400000000 ] - [ -0.0049823800000000, 0.0087345600000000, -0.0014980500000000 ] - [ 0.0034569900000000, 0.0176969900000000, 0.0014539900000000 ] - [ -0.1295007200000000, -0.2491882400000000, -0.0174299900000000 ] - [ 0.0022805600000000, 0.0079585200000000, -0.0005441300000000 ] - [ 0.0036576200000000, 0.0032408000000000, -0.0120863600000000 ] - [ -0.0004470400000000, -0.0043147000000000, 0.0077317800000000 ] - [ -0.0023594400000000, 0.0028666100000000, 0.0035344500000000 ] - [ 0.0012323600000000, 0.0023870300000000, 0.0061121500000000 ] - [ -0.0045746700000000, -0.0017029900000000, 0.0013886000000000 ] - [ 0.0196586300000000, -0.1130270500000000, 0.0827858000000000 ] - [ 0.0004320200000000, 0.0082043100000000, -0.0042124600000000 ] - [ 0.0049053800000000, 0.0039831900000000, 0.0009279200000000 ] - [ -0.0028258000000000, -0.0018888800000000, -0.0022168700000000 ] - [ 0.0152573700000000, -0.0018726400000000, 0.0059806500000000 ] - [ -0.0024507200000000, 0.0028169300000000, -0.0001461800000000 ] - [ 0.0132366300000000, 0.0047847000000000, 0.0037154000000000 ] - [ -0.0130448100000000, 0.0034732200000000, -0.0029372000000000 ] - [ 0.0392661700000000, -0.0591594500000000, 0.0036087000000000 ] - [ -0.0001457700000000, 0.0024257600000000, -0.0005272300000000 ] - [ -0.0050532000000000, -0.0019171700000000, -0.0007916800000000 ] - [ 0.0036130500000000, 0.0022881800000000, 0.0002342000000000 ] - [ -0.0001201500000000, -0.0006317500000000, 0.0006458000000000 ] - [ 0.0001837200000000, -0.0000149300000000, 0.0007539200000000 ] - [ 0.0006315100000000, 0.0007750200000000, 0.0007552900000000 ] - [ -0.0007812100000000, -0.0000787600000000, 0.0007957200000000 ] - [ -0.0046676600000000, 0.0000593100000000, -0.0011457700000000 ] - [ 0.0019534200000000, 0.0010925200000000, -0.0007074400000000 ] - [ -0.0026583700000000, 0.0014979800000000, -0.0014199500000000 ] - [ 0.0014399200000000, -0.0009687800000000, 0.0039700100000000 ] - [ -0.0000441200000000, -0.0010395900000000, -0.0012572700000000 ] - [ 0.0001394800000000, 0.0001167600000000, -0.0008041000000000 ] - [ 0.0003287800000000, 0.0005044700000000, -0.0006801000000000 ] - [ -0.0003185100000000, 0.0004638000000000, -0.0012446500000000 ] - [ -0.0010924500000000, -0.0042819300000000, -0.0020916000000000 ] - [ 0.0006978900000000, 0.0030242200000000, 0.0021103600000000 ] - [ -0.0018207300000000, 0.0005645200000000, 0.0045731800000000 ] - [ -0.0016692200000000, 0.0003168700000000, 0.0045937200000000 ] - [ 0.0010230500000000, -0.0005589600000000, -0.0044467400000000 ] - [ 0.0020668900000000, 0.0012521400000000, -0.0047875200000000 ] - [ 0.0009028600000000, 0.0000828500000000, -0.0043330200000000 ] - [ 0.0021706000000000, -0.0007119400000000, -0.0046550500000000 ] - [ -0.0018952100000000, -0.0007744800000000, 0.0046274000000000 ] - [ -0.0015534800000000, -0.0000908200000000, 0.0044942700000000 ] - [ 0.0010559200000000, -0.0037693400000000, 0.0007380400000000 ] - [ 0.0010514100000000, -0.0033099600000000, 0.0007031500000000 ] - [ -0.0006168900000000, -0.0051733300000000, -0.0007328400000000 ] - [ -0.0012212200000000, -0.0020562100000000, -0.0006758100000000 ] - [ -0.0017367500000000, 0.0053110800000000, -0.0010007700000000 ] - [ -0.0007469200000000, 0.0020103700000000, -0.0005619100000000 ] - [ 0.0009255900000000, 0.0031511900000000, 0.0006864600000000 ] - [ 0.0011861400000000, 0.0039305000000000, 0.0007646000000000 ] - [ 0.0016414900000000, -0.0000606500000000, -0.0041939000000000 ] - [ 0.0018952900000000, 0.0007039000000000, -0.0039214700000000 ] - [ -0.0022671200000000, 0.0008208900000000, 0.0034720900000000 ] - [ -0.0014531800000000, 0.0001147200000000, 0.0043130300000000 ] - [ -0.0022618500000000, -0.0014409800000000, 0.0036242800000000 ] - [ -0.0015918300000000, 0.0006238800000000, 0.0044780900000000 ] - [ 0.0016694500000000, -0.0001522400000000, -0.0041152000000000 ] - [ 0.0018641500000000, -0.0004758900000000, -0.0040416800000000 ] - [ -0.0006613900000000, 0.0005283000000000, -0.0006495500000000 ] - [ 0.0006484400000000, 0.0010208200000000, -0.0002382600000000 ] - [ -0.0008226300000000, 0.0011235500000000, 0.0002265500000000 ] - [ 0.0002166900000000, 0.0005859400000000, 0.0004720100000000 ] - [ -0.0006587800000000, -0.0012486300000000, 0.0002537600000000 ] - [ -0.0001803200000000, -0.0003624200000000, 0.0004148400000000 ] - [ -0.0009171400000000, -0.0007428800000000, -0.0007274800000000 ] - [ 0.0007617800000000, -0.0008047000000000, -0.0002037100000000 ] - [ 0.0101931200000000, -0.0048131300000000, 0.0016028700000000 ] - [ -0.0048287900000000, -0.0045404600000000, -0.0074100500000000 ] - [ 0.0129114600000000, 0.0104940700000000, 0.0025546400000000 ] - [ -0.0056648600000000, -0.0061703500000000, 0.0004337100000000 ] - [ 0.0071885600000000, 0.6392964799999999, 0.0140306500000000 ] - [ -0.0019431300000000, -0.0161332000000000, -0.0010269600000000 ] - [ -0.0163260200000000, -0.0028580000000000, -0.0017574500000000 ] - [ 0.0163308400000000, -0.0028536700000000, 0.0039575200000000 ] - [ -0.0150403400000000, 0.0105660700000000, -0.0026173500000000 ] - [ 0.0033796300000000, -0.0033310500000000, 0.0018400400000000 ] - [ -0.0045257800000000, -0.0138434800000000, -0.0017899100000000 ] - [ -0.0015280800000000, 0.0162597900000000, -0.0010580400000000 ] - [ 0.0009999900000000, 0.0008007400000000, 0.0001614600000000 ] - [ -0.0006916700000000, -0.0020597400000000, 0.0003227100000000 ] - [ -0.0008013200000000, 0.0000266600000000, -0.0005483600000000 ] - [ 0.0015333300000000, 0.0005908600000000, 0.0003618000000000 ] - [ -0.0001473700000000, -0.0014171800000000, -0.0011259300000000 ] - [ -0.0013207100000000, -0.0014152800000000, -0.0013619700000000 ] - [ 0.0013056600000000, 0.0009414400000000, 0.0013609100000000 ] - [ 0.0012172000000000, -0.0036351100000000, 0.0012727400000000 ] - [ 0.0017431500000000, -0.0002263800000000, 0.0014316700000000 ] - [ 0.0003095900000000, 0.0023626000000000, 0.0011479200000000 ] - [ -0.0003352800000000, 0.0020782500000000, -0.0011555000000000 ] - [ -0.0012222900000000, 0.0006867300000000, -0.0013252600000000 ] - [ -0.0003150500000000, 0.0002240500000000, 0.0000126900000000 ] - [ 0.0002536500000000, -0.0002500300000000, -0.0000512500000000 ] - [ 0.0003534900000000, 0.0019507300000000, -0.0009047800000000 ] - [ -0.0002204300000000, -0.0013669200000000, 0.0005990800000000 ] - [ -0.0054400200000000, 0.0016744200000000, -0.0014230000000000 ] - [ 0.0009111000000000, -0.0016337300000000, -0.0005809100000000 ] - [ -0.0001406600000000, 0.0002329900000000, -0.0001981000000000 ] - [ 0.0002182400000000, -0.0002070900000000, 0.0001764000000000 ] - [ 0.0097370400000000, 0.0092917300000000, 0.0048544500000000 ] - [ -0.0008015900000000, -0.0074567800000000, 0.0007415000000000 ] - [ 0.0165013700000000, -0.0602547000000000, 0.0029190600000000 ] - [ -0.0078240100000000, -0.0728998800000000, -0.0049424300000000 ] - [ 0.0110092300000000, 0.0072848400000000, 0.0007010700000000 ] - [ 0.0010375800000000, -0.0151026300000000, -0.0009303600000000 ] - [ -0.0061435300000000, -0.0045503800000000, -0.0009569400000000 ] - [ 0.0046915800000000, 0.0029160800000000, 0.0023971800000000 ] - [ 0.0031706600000000, -0.0006624600000000, 0.0020606600000000 ] - [ -0.0034047500000000, 0.0005923200000000, -0.0003835600000000 ] - [ 0.0016159700000000, 0.0011898800000000, -0.0006206800000000 ] - [ 0.0007567900000000, -0.0006858900000000, -0.0006689600000000 ] - [ 0.0011173800000000, -0.0006194200000000, -0.0007316000000000 ] - [ 0.0011798500000000, 0.0001793300000000, -0.0005420400000000 ] - [ 0.0020252400000000, 0.0032987400000000, 0.0012261800000000 ] - [ -0.0031689300000000, -0.0029734800000000, 0.0005765700000000 ]- atom: 101 displacement: [ -0.0030072416887981, 0.0000000000000000, 0.0095371115871188 ] forces: - [ -0.0002270800000000, -0.0004184000000000, -0.0006344900000000 ] - [ -0.0002436400000000, -0.0004326400000000, -0.0007267900000000 ] - [ -0.0018903800000000, 0.0022651800000000, -0.0031199600000000 ] - [ 0.0000601100000000, -0.0002507800000000, 0.0007799000000000 ] - [ 0.0055406600000000, -0.0021985000000000, 0.0058120100000000 ] - [ 0.0009013000000000, 0.0008447200000000, 0.0006085500000000 ] - [ -0.0002289400000000, 0.0004548600000000, -0.0007574100000000 ] - [ 0.0014134000000000, -0.0005508800000000, -0.0010435700000000 ] - [ 0.0004866500000000, -0.0003093400000000, 0.0016712600000000 ] - [ -0.0001485700000000, -0.0005287100000000, 0.0009430500000000 ] - [ 0.0001749000000000, 0.0000391600000000, 0.0001194800000000 ] - [ 0.0007637700000000, -0.0000972900000000, -0.0001549100000000 ] - [ 0.0029790600000000, 0.0003008600000000, -0.0015772700000000 ] - [ 0.0002161400000000, 0.0006368100000000, -0.0009854600000000 ] - [ -0.0001641000000000, 0.0005418300000000, 0.0008853800000000 ] - [ 0.0000228600000000, 0.0001874300000000, 0.0007358100000000 ] - [ -0.0797292500000000, 0.1025946500000000, 0.1883622400000000 ] - [ -0.0018451500000000, 0.0009827500000000, 0.0044224900000000 ] - [ 0.0009565700000000, 0.0005831200000000, -0.0044411300000000 ] - [ 0.0020321800000000, -0.0010275000000000, -0.0048296000000000 ] - [ -0.0001572100000000, 0.0001180800000000, -0.0037327300000000 ] - [ 0.0015046500000000, -0.0004255200000000, -0.0045426000000000 ] - [ -0.0003873800000000, 0.0034578800000000, 0.0002015500000000 ] - [ -0.0020412700000000, -0.0006847400000000, 0.0041497900000000 ] - [ 0.0039607400000000, -0.0034324000000000, -0.0079084800000000 ] - [ 0.0012864000000000, -0.0036487500000000, -0.0006590800000000 ] - [ -0.0013056200000000, -0.0033101200000000, -0.0010202000000000 ] - [ -0.0013609900000000, -0.0039232000000000, -0.0008229800000000 ] - [ -0.0013905000000000, 0.0062225200000000, -0.0003209500000000 ] - [ -0.0013863600000000, 0.0030360100000000, -0.0006882500000000 ] - [ 0.0012282500000000, 0.0044415900000000, 0.0004807800000000 ] - [ -0.0248983900000000, -0.0113769000000000, 0.0460006800000000 ] - [ 0.0033387300000000, -0.0046898600000000, -0.0076794200000000 ] - [ 0.0021448800000000, 0.0002923700000000, -0.0050767100000000 ] - [ -0.0014845100000000, 0.0009340300000000, 0.0019911900000000 ] - [ -0.0019382100000000, 0.0003331800000000, 0.0039212300000000 ] - [ -0.0020636000000000, -0.0000227200000000, 0.0041623100000000 ] - [ -0.0022318200000000, -0.0015368300000000, 0.0046547300000000 ] - [ 0.0071517200000000, -0.0672772400000000, 0.1548626700000000 ] - [ 0.0016238700000000, 0.0001460400000000, -0.0040399900000000 ] - [ -0.0000371900000000, 0.0006103400000000, -0.0015167800000000 ] - [ -0.0004634400000000, 0.0011985200000000, -0.0024730400000000 ] - [ 0.0001708700000000, 0.0011147600000000, -0.0089225300000000 ] - [ -0.0006788100000000, 0.0008083900000000, 0.0002213600000000 ] - [ -0.0027359900000000, -0.0018723600000000, 0.0031122500000000 ] - [ -0.0024746400000000, -0.0010756400000000, 0.0002785500000000 ] - [ -0.0607355500000000, 0.0068647300000000, 0.0399953400000000 ] - [ -0.0002434800000000, -0.0006925500000000, -0.0004671000000000 ] - [ -0.0011713100000000, -0.0005367400000000, -0.0003434500000000 ] - [ 0.0001844200000000, -0.0001176500000000, -0.0007032700000000 ] - [ 0.0005083800000000, -0.0005779500000000, 0.0008233500000000 ] - [ 0.0002629600000000, -0.0004374200000000, 0.0007509800000000 ] - [ 0.0002974800000000, 0.0004777700000000, 0.0007285000000000 ] - [ 0.0007109100000000, 0.0004782700000000, 0.0006999800000000 ] - [ 0.0019075700000000, -0.0003326000000000, -0.0011108400000000 ] - [ 0.0000547100000000, 0.0004360400000000, -0.0007257800000000 ] - [ -0.0010038000000000, 0.0002800500000000, 0.0004057100000000 ] - [ 0.0000414700000000, -0.0002464400000000, 0.0010179100000000 ] - [ 0.0003170100000000, -0.0004329900000000, -0.0006525100000000 ] - [ 0.0001907100000000, -0.0005130700000000, -0.0008970300000000 ] - [ 0.0002265500000000, 0.0005690000000000, -0.0009236800000000 ] - [ 0.0003964400000000, 0.0002779700000000, -0.0007365500000000 ] - [ 0.0005643800000000, 0.0010634100000000, 0.0021052400000000 ] - [ -0.0000329200000000, 0.0006009500000000, 0.0010082800000000 ] - [ -0.0015583100000000, 0.0003927000000000, 0.0045546400000000 ] - [ -0.0015071600000000, 0.0003432000000000, 0.0045503000000000 ] - [ 0.0018615800000000, 0.0004534900000000, -0.0045431400000000 ] - [ 0.0017522400000000, 0.0004638600000000, -0.0045620300000000 ] - [ 0.0016869900000000, -0.0004476000000000, -0.0045814400000000 ] - [ 0.0017814200000000, -0.0004084600000000, -0.0045715400000000 ] - [ -0.0015094700000000, -0.0003514900000000, 0.0045520800000000 ] - [ -0.0015709400000000, -0.0003945000000000, 0.0045621300000000 ] - [ 0.0012725800000000, -0.0035959400000000, 0.0007797600000000 ] - [ 0.0012572200000000, -0.0036960000000000, 0.0007853200000000 ] - [ -0.0009379900000000, -0.0034819000000000, -0.0006903400000000 ] - [ -0.0010828500000000, -0.0035399900000000, -0.0007096000000000 ] - [ -0.0010941000000000, 0.0035117600000000, -0.0007579300000000 ] - [ -0.0009415300000000, 0.0035677700000000, -0.0007005200000000 ] - [ 0.0012708900000000, 0.0037052900000000, 0.0007839100000000 ] - [ 0.0012428000000000, 0.0035917800000000, 0.0007689800000000 ] - [ 0.0019471200000000, 0.0004206500000000, -0.0039292800000000 ] - [ 0.0019020700000000, 0.0003733900000000, -0.0039726600000000 ] - [ -0.0017281500000000, 0.0002435300000000, 0.0041781800000000 ] - [ -0.0017391300000000, 0.0003477300000000, 0.0040794400000000 ] - [ -0.0017018200000000, -0.0003513800000000, 0.0040137800000000 ] - [ -0.0017490800000000, -0.0002794700000000, 0.0040736500000000 ] - [ 0.0019082800000000, -0.0003728200000000, -0.0039638300000000 ] - [ 0.0019393400000000, -0.0004289600000000, -0.0039354000000000 ] - [ 0.0005348200000000, 0.0008144900000000, -0.0002891800000000 ] - [ 0.0004472900000000, 0.0008009500000000, -0.0003156500000000 ] - [ 0.0000872000000000, 0.0007579300000000, 0.0004850300000000 ] - [ 0.0002143400000000, 0.0007800100000000, 0.0004970200000000 ] - [ 0.0002518500000000, -0.0007645900000000, 0.0004932300000000 ] - [ 0.0000710900000000, -0.0007626200000000, 0.0004625000000000 ] - [ 0.0004997500000000, -0.0008051300000000, -0.0003019100000000 ] - [ 0.0005176600000000, -0.0008136700000000, -0.0002961400000000 ] - [ 0.0043074900000000, -0.0033354900000000, -0.0010744400000000 ] - [ -0.0001075700000000, -0.0009382900000000, -0.0002257400000000 ] - [ -0.0061455000000000, -0.0002272800000000, -0.0015159000000000 ] - [ -0.0004438300000000, 0.0000600800000000, 0.0000161300000000 ] - [ 0.1847551600000000, -0.0236486300000000, -0.4642696700000000 ] - [ -0.0005245300000000, -0.0019292600000000, -0.0014733100000000 ] - [ 0.0035835700000000, -0.0034586600000000, 0.0010704300000000 ] - [ 0.0026235300000000, 0.0009331400000000, 0.0007720400000000 ] - [ 0.0028163400000000, 0.0002978800000000, 0.0055823900000000 ] - [ 0.0016039500000000, 0.0015716400000000, 0.0014525400000000 ] - [ -0.0017336400000000, 0.0019563400000000, 0.0058029600000000 ] - [ -0.0025837500000000, 0.0016795700000000, 0.0036144300000000 ] - [ -0.0003758800000000, -0.0002277500000000, -0.0005236800000000 ] - [ -0.0000315700000000, -0.0004205700000000, -0.0000320900000000 ] - [ -0.0000588600000000, 0.0003383400000000, 0.0000335100000000 ] - [ -0.0009478400000000, 0.0010947100000000, 0.0000753800000000 ] - [ -0.0013371500000000, -0.0014137200000000, -0.0013669300000000 ] - [ -0.0013510800000000, -0.0012865900000000, -0.0013711500000000 ] - [ 0.0004741200000000, -0.0014065700000000, 0.0012656600000000 ] - [ 0.0007350700000000, -0.0014673300000000, 0.0012319100000000 ] - [ 0.0007763000000000, 0.0014722800000000, 0.0011277200000000 ] - [ 0.0005798500000000, 0.0013144800000000, 0.0012241800000000 ] - [ -0.0013787600000000, 0.0013124600000000, -0.0013917900000000 ] - [ -0.0012905200000000, 0.0014208400000000, -0.0013643200000000 ] - [ -0.0000044700000000, -0.0000500300000000, -0.0000233400000000 ] - [ -0.0000488800000000, 0.0000740300000000, 0.0000171300000000 ] - [ -0.0003140100000000, -0.0006868800000000, 0.0002386000000000 ] - [ -0.0001167300000000, -0.0001229400000000, 0.0000630800000000 ] - [ 0.0001202300000000, 0.0000782700000000, -0.0003601200000000 ] - [ 0.0000617800000000, -0.0000600000000000, -0.0000445600000000 ] - [ -0.0001385400000000, -0.0001040000000000, 0.0000281500000000 ] - [ -0.0000049700000000, 0.0000592100000000, -0.0000319500000000 ] - [ -0.0095198900000000, 0.0001933400000000, -0.0044999900000000 ] - [ -0.0004433400000000, 0.0003637200000000, 0.0008633700000000 ] - [ 0.0082102700000000, -0.0014893700000000, -0.0344505300000000 ] - [ 0.0020093000000000, -0.0045585900000000, -0.0018530800000000 ] - [ -0.0346964500000000, 0.0023886300000000, 0.0865592300000000 ] - [ 0.0011270300000000, -0.0005451600000000, -0.0003620200000000 ] - [ -0.0003406600000000, -0.0002391200000000, 0.0010134600000000 ] - [ 0.0000050600000000, 0.0001493900000000, 0.0022205200000000 ] - [ -0.0015430600000000, 0.0007929000000000, 0.0011076000000000 ] - [ -0.0013580900000000, 0.0000815300000000, 0.0005232200000000 ] - [ 0.0001479000000000, 0.0001057800000000, -0.0009369900000000 ] - [ 0.0004941800000000, 0.0002156800000000, -0.0008484000000000 ] - [ 0.0004589800000000, -0.0002622200000000, -0.0008770100000000 ] - [ 0.0001937900000000, -0.0001095700000000, -0.0009599200000000 ] - [ -0.0012185400000000, 0.0001236100000000, 0.0001219100000000 ] - [ -0.0012723600000000, -0.0003793400000000, 0.0006539800000000 ]- atom: 101 displacement: [ 0.0030072416887981, 0.0000000000000000, -0.0095371115871188 ] forces: - [ -0.0001378800000000, -0.0003827300000000, -0.0008443100000000 ] - [ -0.0001038700000000, -0.0003631600000000, -0.0007542600000000 ] - [ 0.0022177700000000, -0.0030561400000000, 0.0045773300000000 ] - [ 0.0003046500000000, -0.0005494600000000, 0.0006925900000000 ] - [ -0.0051932600000000, 0.0029724700000000, -0.0043248900000000 ] - [ -0.0005542400000000, -0.0000501400000000, 0.0008772100000000 ] - [ -0.0001196300000000, 0.0003417800000000, -0.0007221000000000 ] - [ -0.0017562100000000, 0.0013420500000000, -0.0004414600000000 ] - [ -0.0007404800000000, -0.0005811000000000, 0.0001620200000000 ] - [ -0.0001082300000000, -0.0003803000000000, 0.0008915400000000 ] - [ 0.0000630500000000, -0.0009219300000000, -0.0019475400000000 ] - [ -0.0005076900000000, -0.0008112800000000, -0.0016870300000000 ] - [ -0.0027318600000000, 0.0005857000000000, -0.0002650200000000 ] - [ 0.0000586100000000, 0.0002878200000000, -0.0008532000000000 ] - [ -0.0000993300000000, 0.0003678000000000, 0.0009441100000000 ] - [ -0.0002905600000000, 0.0007172300000000, 0.0010894000000000 ] - [ 0.0711112100000000, -0.0930270500000000, -0.1700215100000000 ] - [ -0.0014621400000000, -0.0001691300000000, 0.0047010100000000 ] - [ 0.0023562600000000, 0.0002346900000000, -0.0046821800000000 ] - [ 0.0012814200000000, 0.0018325400000000, -0.0043078900000000 ] - [ 0.0034273000000000, -0.0009254200000000, -0.0053754000000000 ] - [ 0.0018022900000000, -0.0003800600000000, -0.0045769300000000 ] - [ -0.0029002700000000, -0.0042594800000000, 0.0089088100000000 ] - [ -0.0012448200000000, -0.0000808600000000, 0.0049394800000000 ] - [ -0.0016897800000000, -0.0037127400000000, 0.0094262400000000 ] - [ 0.0009740900000000, -0.0034792800000000, 0.0021514700000000 ] - [ -0.0009751800000000, -0.0038856100000000, -0.0004743400000000 ] - [ -0.0009090100000000, -0.0032346500000000, -0.0006671800000000 ] - [ -0.0008646800000000, 0.0009530900000000, -0.0011671400000000 ] - [ -0.0008738000000000, 0.0041304600000000, -0.0008016900000000 ] - [ 0.0010342400000000, 0.0027332300000000, 0.0010087400000000 ] - [ 0.0280612300000000, 0.0202986000000000, -0.0445855700000000 ] - [ 0.0003195200000000, 0.0054334200000000, -0.0003274400000000 ] - [ 0.0015143100000000, 0.0004703300000000, -0.0029244900000000 ] - [ -0.0021933700000000, -0.0002222600000000, 0.0060217300000000 ] - [ -0.0017218700000000, 0.0003834800000000, 0.0041093400000000 ] - [ -0.0015905100000000, -0.0006789400000000, 0.0038776600000000 ] - [ -0.0014299400000000, 0.0008156300000000, 0.0033879700000000 ] - [ -0.0055799000000000, 0.0727838900000000, -0.1701731300000000 ] - [ 0.0020391000000000, -0.0008520700000000, -0.0039958700000000 ] - [ 0.0004016300000000, 0.0009709800000000, 0.0007384200000000 ] - [ 0.0007603700000000, 0.0004098800000000, 0.0016683800000000 ] - [ -0.0005212200000000, 0.0004256900000000, 0.0097185000000000 ] - [ 0.0003350700000000, 0.0007763400000000, 0.0005630500000000 ] - [ 0.0024119500000000, 0.0002879100000000, -0.0023151900000000 ] - [ 0.0021571600000000, -0.0005116200000000, 0.0005123600000000 ] - [ 0.0596197000000000, -0.0081361000000000, -0.0403751100000000 ] - [ 0.0005922100000000, -0.0008796500000000, -0.0003149200000000 ] - [ 0.0008067800000000, -0.0002631600000000, -0.0011367900000000 ] - [ -0.0005366600000000, -0.0006816100000000, -0.0007817200000000 ] - [ -0.0001611500000000, -0.0002185600000000, 0.0006572600000000 ] - [ 0.0000823600000000, -0.0003568400000000, 0.0007293200000000 ] - [ 0.0000487200000000, 0.0003150200000000, 0.0007539200000000 ] - [ -0.0003611800000000, 0.0003175700000000, 0.0007808000000000 ] - [ -0.0022634500000000, 0.0011287600000000, -0.0003619200000000 ] - [ -0.0004136300000000, 0.0003717400000000, -0.0007523200000000 ] - [ 0.0007225200000000, -0.0011936700000000, 0.0014255600000000 ] - [ -0.0002791200000000, -0.0006578000000000, 0.0008243100000000 ] - [ -0.0000532000000000, -0.0004752900000000, -0.0011746900000000 ] - [ 0.0000710200000000, -0.0003950300000000, -0.0009365900000000 ] - [ 0.0000311900000000, 0.0003238700000000, -0.0009032600000000 ] - [ -0.0001427700000000, 0.0006296300000000, -0.0011015700000000 ] - [ -0.0008255700000000, -0.0001650500000000, -0.0002717200000000 ] - [ -0.0002142400000000, 0.0002933500000000, 0.0008213000000000 ] - [ -0.0017497000000000, 0.0004160400000000, 0.0045654100000000 ] - [ -0.0018018700000000, 0.0004698000000000, 0.0045725900000000 ] - [ 0.0014425300000000, 0.0003563000000000, -0.0045732400000000 ] - [ 0.0015533500000000, 0.0003484700000000, -0.0045577600000000 ] - [ 0.0016165000000000, -0.0003612100000000, -0.0045385300000000 ] - [ 0.0015278600000000, -0.0004041000000000, -0.0045520700000000 ] - [ -0.0017980400000000, -0.0004579100000000, 0.0045685200000000 ] - [ -0.0017377500000000, -0.0004195200000000, 0.0045572400000000 ] - [ 0.0009927100000000, -0.0035645700000000, 0.0007097600000000 ] - [ 0.0010054100000000, -0.0034737100000000, 0.0007043200000000 ] - [ -0.0013266000000000, -0.0036844200000000, -0.0007995300000000 ] - [ -0.0011824000000000, -0.0036276800000000, -0.0007804800000000 ] - [ -0.0011716500000000, 0.0036491800000000, -0.0007329500000000 ] - [ -0.0013165000000000, 0.0035926400000000, -0.0007879400000000 ] - [ 0.0009941400000000, 0.0034692000000000, 0.0007060500000000 ] - [ 0.0010239600000000, 0.0035737400000000, 0.0007203000000000 ] - [ 0.0017115800000000, 0.0002916000000000, -0.0041041700000000 ] - [ 0.0017551000000000, 0.0003336600000000, -0.0040600600000000 ] - [ -0.0019334700000000, 0.0004676300000000, 0.0038536500000000 ] - [ -0.0019192300000000, 0.0003601000000000, 0.0039585900000000 ] - [ -0.0019582400000000, -0.0003621000000000, 0.0040130200000000 ] - [ -0.0019111600000000, -0.0004291100000000, 0.0039580700000000 ] - [ 0.0017499800000000, -0.0003385000000000, -0.0040702600000000 ] - [ 0.0017192900000000, -0.0002798200000000, -0.0040994200000000 ] - [ -0.0001986600000000, 0.0007642300000000, -0.0004971300000000 ] - [ -0.0001121900000000, 0.0007750400000000, -0.0004703400000000 ] - [ -0.0004371700000000, 0.0008196800000000, 0.0002972100000000 ] - [ -0.0005583300000000, 0.0007973400000000, 0.0002870700000000 ] - [ -0.0005936900000000, -0.0008122000000000, 0.0002916000000000 ] - [ -0.0004181500000000, -0.0008154600000000, 0.0003209900000000 ] - [ -0.0001641500000000, -0.0007727500000000, -0.0004844000000000 ] - [ -0.0001722800000000, -0.0007643900000000, -0.0004876000000000 ] - [ -0.0042802400000000, 0.0022842700000000, 0.0010709600000000 ] - [ 0.0001017100000000, -0.0001032200000000, 0.0002368200000000 ] - [ 0.0061387900000000, 0.0012849000000000, 0.0014952100000000 ] - [ 0.0004485300000000, 0.0009725000000000, -0.0000136500000000 ] - [ -0.1786926100000000, 0.0036109500000000, 0.4594202600000000 ] - [ -0.0014561900000000, -0.0008437600000000, -0.0011178800000000 ] - [ -0.0016221300000000, 0.0006897800000000, 0.0015166100000000 ] - [ -0.0006727400000000, -0.0036846800000000, 0.0018203600000000 ] - [ -0.0007532000000000, 0.0024768300000000, -0.0029622100000000 ] - [ 0.0003725500000000, 0.0011730200000000, 0.0011367600000000 ] - [ -0.0002620100000000, 0.0007717000000000, -0.0084070700000000 ] - [ 0.0006441700000000, 0.0008909400000000, -0.0061902900000000 ] - [ 0.0003860400000000, -0.0008151200000000, 0.0005171000000000 ] - [ 0.0000325500000000, -0.0006241000000000, 0.0000375000000000 ] - [ 0.0000580000000000, 0.0007093100000000, -0.0000314400000000 ] - [ 0.0009497900000000, -0.0000449700000000, -0.0000751800000000 ] - [ -0.0006336200000000, -0.0013441400000000, -0.0012208500000000 ] - [ -0.0006206800000000, -0.0014717100000000, -0.0012166500000000 ] - [ 0.0015001000000000, -0.0013419200000000, 0.0013237200000000 ] - [ 0.0012436700000000, -0.0012895500000000, 0.0013583100000000 ] - [ 0.0012070300000000, 0.0012812900000000, 0.0014631100000000 ] - [ 0.0013936000000000, 0.0014453500000000, 0.0013641100000000 ] - [ -0.0005898400000000, 0.0014407500000000, -0.0011962600000000 ] - [ -0.0006772300000000, 0.0013381400000000, -0.0012231000000000 ] - [ 0.0000055000000000, 0.0000492900000000, 0.0000241300000000 ] - [ 0.0000486000000000, -0.0000739300000000, -0.0000173000000000 ] - [ 0.0003066700000000, 0.0006897200000000, -0.0002400900000000 ] - [ 0.0001174400000000, 0.0001200300000000, -0.0000632300000000 ] - [ -0.0001071100000000, -0.0000707600000000, 0.0003648400000000 ] - [ -0.0000600900000000, 0.0000577200000000, 0.0000441600000000 ] - [ 0.0001363800000000, 0.0001015500000000, -0.0000275400000000 ] - [ 0.0000069000000000, -0.0000574600000000, 0.0000311100000000 ] - [ 0.0078501800000000, 0.0002235500000000, 0.0060022500000000 ] - [ -0.0012378400000000, 0.0000405100000000, 0.0006235600000000 ] - [ -0.0065274800000000, 0.0018661900000000, 0.0329421300000000 ] - [ -0.0003465800000000, 0.0049775900000000, 0.0003534900000000 ] - [ 0.0361847600000000, -0.0024301300000000, -0.0881109500000000 ] - [ 0.0005291800000000, 0.0000904500000000, -0.0011362200000000 ] - [ -0.0013453200000000, -0.0001566800000000, 0.0004711400000000 ] - [ -0.0016199700000000, -0.0005839500000000, -0.0007095700000000 ] - [ -0.0001150600000000, -0.0003804200000000, 0.0003923900000000 ] - [ -0.0003146500000000, 0.0003262800000000, 0.0009667000000000 ] - [ 0.0015345400000000, 0.0003010700000000, -0.0005500600000000 ] - [ 0.0011809700000000, 0.0002006100000000, -0.0006426700000000 ] - [ 0.0012176000000000, -0.0001491800000000, -0.0006132000000000 ] - [ 0.0014863200000000, -0.0002990800000000, -0.0005275000000000 ] - [ -0.0004372700000000, -0.0005299000000000, 0.0013729100000000 ] - [ -0.0003959100000000, -0.0000336000000000, 0.0008412900000000 ]- atom: 121 displacement: [ 0.0099999367125711, 0.0000000000000000, -0.0000355773041697 ] forces: - [ 0.0034553300000000, 0.0015053200000000, 0.0006276000000000 ] - [ 0.0013858100000000, 0.0008487100000000, -0.0015080600000000 ] - [ -0.0005150300000000, -0.0001547700000000, 0.0007278100000000 ] - [ -0.0002987400000000, -0.0002063500000000, 0.0007262400000000 ] - [ -0.0004870800000000, 0.0001479100000000, 0.0007136700000000 ] - [ -0.0002638800000000, 0.0002557000000000, 0.0007166500000000 ] - [ -0.0014870100000000, 0.0018905900000000, 0.0014865900000000 ] - [ 0.0010886300000000, -0.0001227200000000, -0.0006254200000000 ] - [ 0.0013872000000000, -0.0014153300000000, 0.0030137100000000 ] - [ 0.0004939600000000, 0.0000587400000000, 0.0010792300000000 ] - [ -0.0002332900000000, -0.0004399900000000, -0.0011589800000000 ] - [ -0.0001344600000000, -0.0004351900000000, -0.0010888700000000 ] - [ -0.0002602700000000, 0.0004128800000000, -0.0011779400000000 ] - [ -0.0001436300000000, 0.0004696000000000, -0.0011121900000000 ] - [ 0.0455130500000000, -0.0530768800000000, -0.0132884100000000 ] - [ 0.0004613100000000, 0.0006914300000000, 0.0012405100000000 ] - [ -0.0018456900000000, 0.0003549800000000, 0.0044419700000000 ] - [ -0.0018627500000000, 0.0005561600000000, 0.0045891300000000 ] - [ 0.0011578000000000, 0.0006093300000000, -0.0041382300000000 ] - [ 0.0017516300000000, 0.0003545400000000, -0.0045500400000000 ] - [ 0.0020419500000000, -0.0018905300000000, -0.0053558700000000 ] - [ 0.0015437100000000, 0.0000811000000000, -0.0045761700000000 ] - [ -0.0020570800000000, -0.0004667000000000, 0.0046206900000000 ] - [ -0.0018008600000000, -0.0004763700000000, 0.0046012900000000 ] - [ 0.0009712000000000, -0.0037687600000000, 0.0006868700000000 ] - [ 0.0007191700000000, -0.0031896600000000, 0.0006446200000000 ] - [ -0.0032451300000000, -0.0039941900000000, -0.0015306700000000 ] - [ -0.0009557300000000, -0.0031190700000000, -0.0006922900000000 ] - [ -0.0011180400000000, 0.0029952300000000, -0.0005114900000000 ] - [ -0.0011029100000000, 0.0039951200000000, -0.0007207000000000 ] - [ 0.0009082700000000, 0.0036251100000000, 0.0006773200000000 ] - [ 0.0009103200000000, 0.0033101100000000, 0.0006748700000000 ] - [ 0.0015220400000000, 0.0002610800000000, -0.0042708800000000 ] - [ 0.0017279300000000, 0.0002849000000000, -0.0041308300000000 ] - [ -0.0022000900000000, -0.0012457200000000, 0.0045352300000000 ] - [ -0.0019854300000000, 0.0009863400000000, 0.0039497800000000 ] - [ -0.0018583000000000, -0.0001018500000000, 0.0036598200000000 ] - [ -0.0016842200000000, -0.0003470000000000, 0.0042084700000000 ] - [ 0.0016225900000000, -0.0003837900000000, -0.0040589400000000 ] - [ 0.0016620400000000, -0.0001923600000000, -0.0041493900000000 ] - [ -0.0010962000000000, 0.0009561000000000, -0.0007563300000000 ] - [ 0.0001169700000000, 0.0006452000000000, -0.0003877300000000 ] - [ -0.0021614900000000, 0.0000575100000000, -0.0001248300000000 ] - [ -0.0005373400000000, 0.0009748300000000, 0.0002692100000000 ] - [ -0.0009296600000000, -0.0008930100000000, 0.0001651800000000 ] - [ -0.0003107000000000, -0.0007503700000000, 0.0003639300000000 ] - [ -0.0000475200000000, -0.0009096800000000, -0.0004234800000000 ] - [ -0.0003419300000000, -0.0006453700000000, -0.0005224900000000 ] - [ -0.0008055600000000, -0.0006261700000000, -0.0007734500000000 ] - [ -0.0005818100000000, -0.0005184000000000, -0.0007701000000000 ] - [ -0.0011194900000000, 0.0010402600000000, 0.0029008100000000 ] - [ 0.0014196000000000, -0.0009075100000000, 0.0008615700000000 ] - [ 0.0038108200000000, 0.0022952100000000, 0.0021105700000000 ] - [ 0.0017022700000000, 0.0016218600000000, -0.0000171400000000 ] - [ -0.0008364900000000, 0.0006226900000000, -0.0007559000000000 ] - [ -0.0006191400000000, 0.0005699100000000, -0.0007578500000000 ] - [ -0.0004995400000000, -0.0005045000000000, 0.0006754400000000 ] - [ -0.0003819400000000, -0.0004464900000000, 0.0007415500000000 ] - [ 0.0460943300000000, -0.0559385400000000, -0.0157757300000000 ] - [ 0.0007075100000000, -0.0002301900000000, -0.0006100300000000 ] - [ 0.0016515900000000, -0.0005155100000000, 0.0011959100000000 ] - [ 0.0007274400000000, 0.0009703100000000, -0.0007787500000000 ] - [ -0.0004708200000000, 0.0004787700000000, 0.0006968300000000 ] - [ -0.0003716700000000, 0.0004823600000000, 0.0007666200000000 ] - [ -0.0012799100000000, -0.0010841700000000, 0.0037643600000000 ] - [ -0.0017785100000000, 0.0009034600000000, 0.0045542500000000 ] - [ 0.0012686700000000, 0.0003620500000000, -0.0045114600000000 ] - [ 0.0015243900000000, 0.0003477100000000, -0.0045301200000000 ] - [ 0.0014800800000000, -0.0004693200000000, -0.0046929200000000 ] - [ 0.0014655300000000, -0.0002695900000000, -0.0045448400000000 ] - [ -0.0021629500000000, -0.0002053200000000, 0.0049943300000000 ] - [ -0.0015733000000000, -0.0004739300000000, 0.0045831700000000 ] - [ 0.0011437200000000, -0.0041609100000000, 0.0009758100000000 ] - [ 0.0011577200000000, -0.0031740600000000, 0.0007657100000000 ] - [ -0.0013489900000000, -0.0035355600000000, -0.0008080500000000 ] - [ -0.0013499400000000, -0.0038567800000000, -0.0008112300000000 ] - [ -0.0012875700000000, 0.0033886800000000, -0.0007987000000000 ] - [ -0.0015389500000000, 0.0039722900000000, -0.0008407000000000 ] - [ -0.0010053100000000, 0.0032022000000000, -0.0000435600000000 ] - [ 0.0013041100000000, 0.0040372400000000, 0.0007935800000000 ] - [ 0.0017915200000000, 0.0006036200000000, -0.0043932200000000 ] - [ 0.0019637200000000, 0.0003457400000000, -0.0038441700000000 ] - [ -0.0020253800000000, 0.0003119900000000, 0.0039962800000000 ] - [ -0.0019831800000000, 0.0005018000000000, 0.0039067900000000 ] - [ -0.0021235700000000, -0.0004312300000000, 0.0037828300000000 ] - [ -0.0019182100000000, -0.0004118200000000, 0.0039221000000000 ] - [ 0.0014396200000000, -0.0019615900000000, -0.0035118500000000 ] - [ 0.0016642400000000, 0.0002862400000000, -0.0040985700000000 ] - [ -0.0005614700000000, 0.0006906700000000, -0.0006128300000000 ] - [ 0.0000553100000000, 0.0008289900000000, -0.0004134700000000 ] - [ -0.0004114400000000, 0.0006698300000000, 0.0003547400000000 ] - [ -0.0006980800000000, 0.0009347400000000, 0.0002576400000000 ] - [ -0.0014567700000000, -0.0006201100000000, 0.0000230000000000 ] - [ -0.0002448900000000, -0.0009381700000000, 0.0003908500000000 ] - [ -0.0018198500000000, -0.0015316300000000, -0.0009093000000000 ] - [ -0.0001662000000000, -0.0006073400000000, -0.0005061900000000 ] - [ 0.0009115300000000, -0.0005211200000000, 0.0002414500000000 ] - [ 0.0006308100000000, -0.0005598700000000, 0.0001846400000000 ] - [ 0.0009111800000000, 0.0005214000000000, 0.0002387000000000 ] - [ 0.0006309600000000, 0.0004841700000000, 0.0001826500000000 ] - [ -0.0004700900000000, -0.0010634500000000, -0.0011347600000000 ] - [ -0.0003823100000000, -0.0016306800000000, -0.0011528800000000 ] - [ 0.0017860100000000, -0.0010173300000000, 0.0012156800000000 ] - [ 0.0010712800000000, -0.0016021800000000, 0.0011953200000000 ] - [ 0.0042132700000000, 0.0067999900000000, 0.0024266700000000 ] - [ 0.0011710900000000, 0.0004604700000000, 0.0014146300000000 ] - [ 0.0003091800000000, 0.0012393100000000, -0.0010280100000000 ] - [ -0.0006929600000000, 0.0015902800000000, -0.0012056600000000 ] - [ -0.0046485100000000, -0.0042316100000000, -0.0092850000000000 ] - [ -0.0023296000000000, -0.0012117900000000, -0.0001295700000000 ] - [ -0.0047527600000000, -0.0032677800000000, -0.0094216600000000 ] - [ -0.0023133700000000, -0.0001652400000000, -0.0001254600000000 ] - [ 0.0023044700000000, 0.0041156000000000, -0.0001311600000000 ] - [ -0.0007912800000000, -0.0022887300000000, -0.0011676200000000 ] - [ 0.0022671000000000, -0.0015187500000000, 0.0015507900000000 ] - [ 0.0012637000000000, -0.0011576000000000, 0.0013731500000000 ] - [ 0.0014900300000000, 0.0016942400000000, 0.0014448600000000 ] - [ 0.0015684900000000, 0.0011240100000000, 0.0014241300000000 ] - [ -0.0001749900000000, 0.0017233500000000, -0.0013618200000000 ] - [ -0.0008895900000000, 0.0011595300000000, -0.0013851800000000 ] - [ -0.0920331700000000, 0.1156595200000000, 0.0342761800000000 ] - [ -0.0000965500000000, -0.0001344200000000, -0.0000831900000000 ] - [ 0.0001333400000000, 0.0000306200000000, 0.0000236600000000 ] - [ 0.0001338300000000, 0.0000298600000000, 0.0000228800000000 ] - [ 0.0001246500000000, -0.0000286400000000, 0.0000215500000000 ] - [ 0.0001252100000000, -0.0000286300000000, 0.0000223900000000 ] - [ 0.0000153200000000, 0.0010666800000000, 0.0008394600000000 ] - [ -0.0002407500000000, -0.0002458600000000, 0.0000356000000000 ] - [ -0.0023547500000000, 0.0015595200000000, -0.0002011600000000 ] - [ -0.0003578600000000, -0.0012166200000000, 0.0005058700000000 ] - [ 0.0021585300000000, 0.0002312400000000, -0.0003389000000000 ] - [ 0.0015075800000000, 0.0002545500000000, -0.0005381800000000 ] - [ 0.0026035500000000, -0.0000351600000000, -0.0001655600000000 ] - [ 0.0016822800000000, -0.0005077900000000, -0.0004844800000000 ] - [ 0.0021818800000000, -0.0062346800000000, 0.0030286500000000 ] - [ -0.0027075600000000, 0.0003753700000000, 0.0007173100000000 ] - [ 0.0008894400000000, 0.0003766100000000, 0.0013108900000000 ] - [ -0.0000492100000000, -0.0000955200000000, 0.0009868200000000 ] - [ 0.0038615900000000, -0.0058905400000000, 0.0015262900000000 ] - [ -0.0009951300000000, 0.0008083900000000, -0.0007530200000000 ] - [ -0.0006452600000000, 0.0011557400000000, -0.0016854600000000 ] - [ 0.0013370300000000, -0.0016190300000000, -0.0009610500000000 ] - [ 0.0004330900000000, -0.0001845400000000, 0.0011323500000000 ] - [ -0.0002183500000000, -0.0001555100000000, 0.0009324300000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0031120000000000, -0.0028435400000000, -0.0020068200000000 ] - [ -0.0006963400000000, -0.0017315700000000, 0.0001945100000000 ] - [ 0.0002603300000000, -0.0003530700000000, 0.0007618100000000 ] - [ 0.0003428000000000, -0.0005105900000000, 0.0007274900000000 ] - [ 0.0003641100000000, 0.0005197900000000, 0.0007334900000000 ] - [ 0.0002427500000000, 0.0003482000000000, 0.0007631500000000 ] - [ 0.0020042200000000, -0.0039469000000000, -0.0031953600000000 ] - [ -0.0008515600000000, 0.0000795700000000, -0.0007873900000000 ] - [ -0.0018707700000000, 0.0003898300000000, -0.0023465100000000 ] - [ -0.0004174100000000, -0.0014938900000000, 0.0010894700000000 ] - [ 0.0002155100000000, -0.0004012600000000, -0.0008403500000000 ] - [ 0.0001847200000000, -0.0005045000000000, -0.0009039200000000 ] - [ 0.0001793500000000, 0.0005086500000000, -0.0009122900000000 ] - [ 0.0002151300000000, 0.0004148200000000, -0.0008537500000000 ] - [ -0.0554231300000000, 0.0945910100000000, 0.0263568400000000 ] - [ -0.0003717800000000, -0.0003506900000000, 0.0006484400000000 ] - [ -0.0017258700000000, 0.0005661200000000, 0.0045784700000000 ] - [ -0.0014821600000000, 0.0002266000000000, 0.0045317600000000 ] - [ 0.0026961600000000, 0.0008355200000000, -0.0050522600000000 ] - [ 0.0013380300000000, -0.0000680000000000, -0.0043936500000000 ] - [ 0.0011262000000000, 0.0001822600000000, -0.0044558400000000 ] - [ 0.0020026700000000, -0.0011581000000000, -0.0046114900000000 ] - [ -0.0014216300000000, -0.0001957100000000, 0.0045203300000000 ] - [ -0.0017291000000000, -0.0005509000000000, 0.0045847000000000 ] - [ 0.0010522000000000, -0.0035269400000000, 0.0007318600000000 ] - [ 0.0013797400000000, -0.0037519700000000, 0.0007982900000000 ] - [ -0.0018197500000000, -0.0016875400000000, -0.0006908600000000 ] - [ -0.0013636400000000, -0.0048394400000000, -0.0008251200000000 ] - [ -0.0012615500000000, 0.0051089600000000, -0.0010695900000000 ] - [ -0.0009632000000000, 0.0023995400000000, -0.0006903400000000 ] - [ 0.0013161400000000, 0.0036588700000000, 0.0007892000000000 ] - [ 0.0010631600000000, 0.0035411900000000, 0.0007325700000000 ] - [ 0.0020317400000000, 0.0005911100000000, -0.0038720300000000 ] - [ 0.0017670000000000, 0.0001930000000000, -0.0040617000000000 ] - [ -0.0022124300000000, 0.0009287500000000, 0.0037063000000000 ] - [ -0.0015443700000000, -0.0004477500000000, 0.0043555800000000 ] - [ -0.0016336600000000, 0.0002093700000000, 0.0044130200000000 ] - [ -0.0020938300000000, -0.0009346200000000, 0.0035512200000000 ] - [ 0.0017667100000000, -0.0001802000000000, -0.0040589300000000 ] - [ 0.0019767400000000, -0.0005497900000000, -0.0039136100000000 ] - [ 0.0014981600000000, 0.0009623900000000, 0.0000144500000000 ] - [ -0.0003884300000000, 0.0006907000000000, -0.0005642400000000 ] - [ -0.0004938700000000, 0.0010749900000000, 0.0003073300000000 ] - [ 0.0002045100000000, 0.0004702700000000, 0.0005119000000000 ] - [ 0.0003806700000000, -0.0004137700000000, 0.0004704800000000 ] - [ -0.0003644400000000, -0.0010610100000000, 0.0003174200000000 ] - [ -0.0003847200000000, -0.0006859500000000, -0.0005553200000000 ] - [ 0.0009145100000000, -0.0009353900000000, -0.0001857400000000 ] - [ 0.0000015400000000, -0.0002566300000000, -0.0007527600000000 ] - [ -0.0001191800000000, -0.0004290100000000, -0.0007233000000000 ] - [ 0.0024005600000000, -0.0047759200000000, -0.0017790800000000 ] - [ -0.0004908900000000, -0.0007061400000000, 0.0006938900000000 ] - [ -0.0027350800000000, -0.0020360000000000, -0.0005132100000000 ] - [ -0.0003470800000000, -0.0009593900000000, 0.0016794500000000 ] - [ -0.0001039500000000, 0.0004319000000000, -0.0007146200000000 ] - [ -0.0000225600000000, 0.0002750600000000, -0.0007487800000000 ] - [ -0.0000819100000000, -0.0004089000000000, 0.0009408100000000 ] - [ -0.0000458000000000, -0.0005029800000000, 0.0009988400000000 ] - [ -0.0518540500000000, 0.0894864000000000, 0.0228615300000000 ] - [ -0.0001005300000000, -0.0012577100000000, -0.0011879700000000 ] - [ -0.0016126700000000, 0.0012576300000000, -0.0041289200000000 ] - [ -0.0001550700000000, -0.0005794700000000, -0.0007581800000000 ] - [ -0.0000436300000000, 0.0004975600000000, 0.0009989200000000 ] - [ -0.0000751000000000, 0.0003935000000000, 0.0009330900000000 ] - [ -0.0021779500000000, 0.0009937800000000, 0.0046665400000000 ] - [ -0.0013015100000000, -0.0003484700000000, 0.0045123300000000 ] - [ 0.0018816600000000, 0.0006209800000000, -0.0046014500000000 ] - [ 0.0015711300000000, 0.0002613400000000, -0.0045367300000000 ] - [ 0.0015764100000000, -0.0002451200000000, -0.0045454500000000 ] - [ 0.0018220200000000, -0.0005880800000000, -0.0045920100000000 ] - [ -0.0006033200000000, 0.0000276600000000, 0.0040651800000000 ] - [ -0.0019656600000000, -0.0008837700000000, 0.0047277800000000 ] - [ 0.0010079700000000, -0.0020478400000000, 0.0004228700000000 ] - [ 0.0013051000000000, -0.0047762800000000, 0.0008015700000000 ] - [ -0.0009578400000000, -0.0035107200000000, -0.0007031200000000 ] - [ -0.0012135300000000, -0.0036322300000000, -0.0007606700000000 ] - [ -0.0012199600000000, 0.0036384700000000, -0.0007609500000000 ] - [ -0.0008894500000000, 0.0034109900000000, -0.0006942300000000 ] - [ 0.0004398000000000, 0.0055102300000000, 0.0007947800000000 ] - [ 0.0009125800000000, 0.0023268900000000, 0.0006671400000000 ] - [ 0.0020365600000000, 0.0009189600000000, -0.0036123100000000 ] - [ 0.0015776900000000, -0.0002321900000000, -0.0044753400000000 ] - [ -0.0019065600000000, 0.0005257400000000, 0.0039701600000000 ] - [ -0.0016948100000000, 0.0001520800000000, 0.0041170200000000 ] - [ -0.0016406300000000, -0.0001097200000000, 0.0041554100000000 ] - [ -0.0019070700000000, -0.0005125500000000, 0.0039642000000000 ] - [ 0.0014562300000000, 0.0002227600000000, -0.0043264800000000 ] - [ 0.0021281400000000, -0.0011609600000000, -0.0036718100000000 ] - [ 0.0007282800000000, 0.0011679800000000, -0.0003136000000000 ] - [ -0.0000235400000000, 0.0005151600000000, -0.0004675700000000 ] - [ -0.0007370600000000, 0.0008927400000000, 0.0002270500000000 ] - [ 0.0005705500000000, 0.0006408500000000, 0.0005984800000000 ] - [ 0.0011569400000000, -0.0006132400000000, 0.0008000200000000 ] - [ -0.0007344900000000, -0.0008877500000000, 0.0002195300000000 ] - [ -0.0001530000000000, -0.0005025700000000, -0.0004782700000000 ] - [ 0.0005555800000000, -0.0011105200000000, -0.0002703900000000 ] - [ -0.0001867000000000, -0.0006444600000000, -0.0000485000000000 ] - [ -0.0001561200000000, -0.0003933900000000, -0.0000471800000000 ] - [ -0.0001859300000000, 0.0003867200000000, -0.0000458300000000 ] - [ -0.0001535700000000, 0.0006380500000000, -0.0000438900000000 ] - [ -0.0006076400000000, -0.0016031500000000, -0.0012257100000000 ] - [ -0.0016323800000000, -0.0011280400000000, -0.0014199600000000 ] - [ 0.0001879500000000, -0.0033192300000000, 0.0017624800000000 ] - [ 0.0010756700000000, -0.0000095600000000, 0.0014503800000000 ] - [ 0.0013603900000000, -0.0002948600000000, 0.0014873600000000 ] - [ 0.0007332200000000, 0.0030093500000000, 0.0011538800000000 ] - [ -0.0018389600000000, 0.0011432800000000, -0.0014554200000000 ] - [ -0.0005861300000000, 0.0015836100000000, -0.0012289100000000 ] - [ 0.0034183100000000, 0.0154773300000000, 0.0168213900000000 ] - [ 0.0013429300000000, 0.0016193700000000, -0.0002294000000000 ] - [ 0.0033400700000000, 0.0166869700000000, 0.0168979800000000 ] - [ 0.0013511300000000, 0.0026565000000000, -0.0002301600000000 ] - [ -0.0006044100000000, -0.0030501500000000, -0.0010916900000000 ] - [ -0.0012401200000000, 0.0002586300000000, -0.0014365600000000 ] - [ 0.0001277800000000, -0.0016114300000000, 0.0011312600000000 ] - [ 0.0013864900000000, -0.0011661800000000, 0.0013588800000000 ] - [ 0.0013694000000000, 0.0011525200000000, 0.0013628400000000 ] - [ 0.0003361900000000, 0.0016289800000000, 0.0011666800000000 ] - [ -0.0017787800000000, -0.0005821700000000, -0.0008220000000000 ] - [ -0.0008921100000000, 0.0027481500000000, -0.0011366300000000 ] - [ 0.1154669100000000, -0.2102174900000000, -0.0662213800000000 ] - [ -0.0001333000000000, 0.0005252000000000, 0.0001771000000000 ] - [ -0.0000303000000000, -0.0000064700000000, -0.0000063400000000 ] - [ -0.0000297800000000, -0.0000060800000000, -0.0000066500000000 ] - [ -0.0000291800000000, 0.0000066800000000, -0.0000052400000000 ] - [ -0.0000289100000000, 0.0000069900000000, -0.0000045100000000 ] - [ -0.0010579200000000, -0.0008738800000000, 0.0026990500000000 ] - [ 0.0002458500000000, 0.0005151100000000, -0.0001483500000000 ] - [ 0.0011787900000000, -0.0006946200000000, 0.0019566700000000 ] - [ -0.0030826100000000, 0.0022331500000000, 0.0008055800000000 ] - [ 0.0003040400000000, -0.0001600100000000, -0.0009054900000000 ] - [ 0.0008459700000000, 0.0005323500000000, -0.0007433300000000 ] - [ 0.0008679400000000, -0.0005883600000000, -0.0007358600000000 ] - [ 0.0004156000000000, 0.0001932600000000, -0.0008712400000000 ] - [ -0.0071028600000000, 0.0010693500000000, -0.0041414800000000 ] - [ 0.0017199400000000, 0.0016097400000000, 0.0008023900000000 ] - [ -0.0007915800000000, -0.0001758800000000, 0.0007555500000000 ] - [ -0.0012502400000000, 0.0006102900000000, 0.0006183400000000 ] - [ -0.0054283500000000, 0.0014619500000000, -0.0056383400000000 ] - [ 0.0033868400000000, 0.0020342000000000, -0.0006822600000000 ] - [ 0.0028576900000000, -0.0010980600000000, 0.0004665000000000 ] - [ -0.0014245600000000, 0.0018306100000000, -0.0006743500000000 ] - [ -0.0013620700000000, -0.0005773700000000, 0.0005838700000000 ] - [ -0.0008170800000000, 0.0001195700000000, 0.0007460900000000 ]- atom: 121 displacement: [ -0.0030072416887981, 0.0000000000000000, 0.0095371115871188 ] forces: - [ -0.0022027700000000, -0.0019024400000000, -0.0015587500000000 ] - [ -0.0007329600000000, -0.0011851600000000, 0.0001204400000000 ] - [ 0.0002043100000000, -0.0003703600000000, 0.0007530500000000 ] - [ 0.0002462000000000, -0.0004538300000000, 0.0007342500000000 ] - [ 0.0002573200000000, 0.0004596200000000, 0.0007378000000000 ] - [ 0.0001946400000000, 0.0003717200000000, 0.0007516700000000 ] - [ 0.0007290700000000, 0.0004527700000000, -0.0018505700000000 ] - [ -0.0004165400000000, 0.0002776500000000, -0.0009266400000000 ] - [ -0.0004715000000000, 0.0003346000000000, 0.0007029100000000 ] - [ -0.0002874600000000, -0.0009229700000000, 0.0010773800000000 ] - [ 0.0001741100000000, -0.0004428800000000, -0.0008867000000000 ] - [ 0.0001482400000000, -0.0004846200000000, -0.0009168500000000 ] - [ 0.0001541700000000, 0.0004910400000000, -0.0009177600000000 ] - [ 0.0001667100000000, 0.0004387100000000, -0.0008888000000000 ] - [ -0.0272833200000000, 0.0402774000000000, 0.0215971900000000 ] - [ -0.0002320700000000, 0.0000918100000000, 0.0008418000000000 ] - [ -0.0016987800000000, 0.0004917900000000, 0.0045713800000000 ] - [ -0.0015874000000000, 0.0003256500000000, 0.0045573600000000 ] - [ 0.0021587400000000, 0.0006327600000000, -0.0049027300000000 ] - [ 0.0015299900000000, 0.0002054200000000, -0.0045034400000000 ] - [ 0.0013241700000000, -0.0001686700000000, -0.0044429200000000 ] - [ 0.0017912400000000, -0.0008214300000000, -0.0045420100000000 ] - [ -0.0015316200000000, -0.0002916700000000, 0.0045344600000000 ] - [ -0.0017009700000000, -0.0004853600000000, 0.0045761500000000 ] - [ 0.0010915100000000, -0.0035548000000000, 0.0007355400000000 ] - [ 0.0012810900000000, -0.0036858700000000, 0.0007713400000000 ] - [ -0.0016075600000000, -0.0027543400000000, -0.0004767700000000 ] - [ -0.0012466400000000, -0.0042038100000000, -0.0007789800000000 ] - [ -0.0012582400000000, 0.0044133600000000, -0.0009461900000000 ] - [ -0.0010560800000000, 0.0030377900000000, -0.0007282300000000 ] - [ 0.0012131900000000, 0.0036099700000000, 0.0007628000000000 ] - [ 0.0010980100000000, 0.0035616000000000, 0.0007363700000000 ] - [ 0.0019348200000000, 0.0004844300000000, -0.0039434900000000 ] - [ 0.0017904100000000, 0.0002674500000000, -0.0040499600000000 ] - [ -0.0018178100000000, 0.0006332500000000, 0.0040276600000000 ] - [ -0.0016559500000000, -0.0001353100000000, 0.0041481400000000 ] - [ -0.0017826100000000, -0.0000582800000000, 0.0042977600000000 ] - [ -0.0019512200000000, -0.0006462700000000, 0.0037910900000000 ] - [ 0.0017896300000000, -0.0002604800000000, -0.0040491900000000 ] - [ 0.0018887700000000, -0.0004426300000000, -0.0039861600000000 ] - [ 0.0010251300000000, 0.0008766000000000, -0.0001367200000000 ] - [ -0.0000811900000000, 0.0007476500000000, -0.0004654400000000 ] - [ -0.0004118700000000, 0.0008235800000000, 0.0003734900000000 ] - [ 0.0000138900000000, 0.0006291800000000, 0.0004552700000000 ] - [ 0.0000794500000000, -0.0005964000000000, 0.0004252000000000 ] - [ -0.0002802900000000, -0.0009198700000000, 0.0003441200000000 ] - [ -0.0000833600000000, -0.0007360200000000, -0.0004850500000000 ] - [ 0.0005042300000000, -0.0008580700000000, -0.0003022200000000 ] - [ -0.0000577900000000, -0.0003197200000000, -0.0007469600000000 ] - [ -0.0001198800000000, -0.0004076500000000, -0.0007332200000000 ] - [ 0.0010813300000000, -0.0003818400000000, -0.0004466900000000 ] - [ -0.0000958800000000, -0.0005119800000000, 0.0005555100000000 ] - [ -0.0018626300000000, -0.0011133800000000, -0.0000579200000000 ] - [ -0.0004261900000000, -0.0003997900000000, 0.0016057100000000 ] - [ -0.0001120100000000, 0.0004103200000000, -0.0007287100000000 ] - [ -0.0000702400000000, 0.0003265300000000, -0.0007476200000000 ] - [ -0.0000921000000000, -0.0004362900000000, 0.0009370500000000 ] - [ -0.0000792300000000, -0.0004886400000000, 0.0009663400000000 ] - [ -0.0265953500000000, 0.0383264600000000, 0.0199649000000000 ] - [ 0.0000148300000000, -0.0008341200000000, -0.0010107400000000 ] - [ -0.0002123200000000, 0.0012588000000000, -0.0010800500000000 ] - [ -0.0000496100000000, -0.0000050700000000, -0.0007807900000000 ] - [ -0.0000701600000000, 0.0004813200000000, 0.0009671300000000 ] - [ -0.0000960500000000, 0.0004384500000000, 0.0009364400000000 ] - [ -0.0020090700000000, 0.0006573200000000, 0.0046924000000000 ] - [ -0.0015408100000000, 0.0000036600000000, 0.0045918300000000 ] - [ 0.0018017000000000, 0.0005392000000000, -0.0046000900000000 ] - [ 0.0016305500000000, 0.0003427600000000, -0.0045568200000000 ] - [ 0.0016324800000000, -0.0003350200000000, -0.0045626800000000 ] - [ 0.0017461000000000, -0.0005028200000000, -0.0045777500000000 ] - [ -0.0011667200000000, -0.0001895700000000, 0.0042248200000000 ] - [ -0.0018028100000000, -0.0006255300000000, 0.0046289500000000 ] - [ 0.0009910000000000, -0.0027331600000000, 0.0005330800000000 ] - [ 0.0012008400000000, -0.0041239500000000, 0.0007561600000000 ] - [ -0.0010446800000000, -0.0035470000000000, -0.0007217100000000 ] - [ -0.0011622800000000, -0.0035990000000000, -0.0007487300000000 ] - [ -0.0011659200000000, 0.0036004500000000, -0.0007489200000000 ] - [ -0.0009749500000000, 0.0034688700000000, -0.0007125200000000 ] - [ 0.0006284600000000, 0.0044076200000000, 0.0010112700000000 ] - [ 0.0010111600000000, 0.0029486600000000, 0.0007054300000000 ] - [ 0.0018592500000000, 0.0006402100000000, -0.0037587800000000 ] - [ 0.0016926000000000, 0.0000430300000000, -0.0042646300000000 ] - [ -0.0018563900000000, 0.0004325200000000, 0.0040078900000000 ] - [ -0.0017557100000000, 0.0002484900000000, 0.0040730800000000 ] - [ -0.0017083000000000, -0.0002052000000000, 0.0041154200000000 ] - [ -0.0018540600000000, -0.0004251100000000, 0.0040067100000000 ] - [ 0.0018257100000000, -0.0000599200000000, -0.0040331100000000 ] - [ 0.0019898600000000, -0.0008325700000000, -0.0039070100000000 ] - [ 0.0004447700000000, 0.0009879600000000, -0.0003519300000000 ] - [ 0.0000845200000000, 0.0006603600000000, -0.0004322400000000 ] - [ -0.0004543500000000, 0.0008450100000000, 0.0002895000000000 ] - [ 0.0001397300000000, 0.0007227500000000, 0.0004743200000000 ] - [ 0.0006636100000000, -0.0007035400000000, 0.0006409500000000 ] - [ -0.0004480200000000, -0.0008348700000000, 0.0003103300000000 ] - [ -0.0000498100000000, -0.0007577600000000, -0.0004043700000000 ] - [ 0.0003841100000000, -0.0009530200000000, -0.0003191700000000 ] - [ -0.0001071400000000, -0.0005919300000000, -0.0000269300000000 ] - [ -0.0000887900000000, -0.0004579500000000, -0.0000280500000000 ] - [ -0.0001074600000000, 0.0004548900000000, -0.0000274800000000 ] - [ -0.0000882400000000, 0.0005893500000000, -0.0000278700000000 ] - [ -0.0008128600000000, -0.0014855800000000, -0.0012605100000000 ] - [ -0.0012811700000000, -0.0012521600000000, -0.0013537800000000 ] - [ 0.0005616400000000, -0.0023371000000000, 0.0014905300000000 ] - [ 0.0010144100000000, -0.0007404800000000, 0.0014013700000000 ] - [ 0.0011259000000000, 0.0011024500000000, 0.0009355900000000 ] - [ 0.0008578700000000, 0.0022037900000000, 0.0011887100000000 ] - [ -0.0014874000000000, 0.0012302700000000, -0.0013799500000000 ] - [ -0.0008010000000000, 0.0014795300000000, -0.0012646700000000 ] - [ -0.0002882200000000, 0.0098117300000000, 0.0103410900000000 ] - [ 0.0007078900000000, 0.0003449800000000, -0.0000928200000000 ] - [ -0.0003496200000000, 0.0109579500000000, 0.0101812700000000 ] - [ 0.0007155000000000, 0.0013796700000000, -0.0000885900000000 ] - [ -0.0008288300000000, -0.0016529600000000, -0.0016409800000000 ] - [ -0.0010989100000000, -0.0005466300000000, -0.0013931000000000 ] - [ 0.0004648700000000, -0.0015253500000000, 0.0011987900000000 ] - [ 0.0011554400000000, -0.0012714800000000, 0.0013150000000000 ] - [ 0.0011477800000000, 0.0012697600000000, 0.0013193900000000 ] - [ 0.0006725900000000, 0.0015035300000000, 0.0012247800000000 ] - [ -0.0013894300000000, 0.0003995100000000, -0.0010797500000000 ] - [ -0.0009407700000000, 0.0020185900000000, -0.0011788200000000 ] - [ 0.0601805200000000, -0.0978420800000000, -0.0520940100000000 ] - [ -0.0000501700000000, 0.0002156800000000, 0.0000774700000000 ] - [ -0.0000190600000000, -0.0000030800000000, -0.0000048100000000 ] - [ -0.0000180700000000, -0.0000035300000000, -0.0000055800000000 ] - [ -0.0000168400000000, 0.0000041700000000, -0.0000048000000000 ] - [ -0.0000164000000000, 0.0000039200000000, -0.0000037200000000 ] - [ 0.0007996600000000, -0.0028952200000000, -0.0034017300000000 ] - [ 0.0001067700000000, 0.0002155200000000, -0.0000653700000000 ] - [ 0.0004035800000000, 0.0000072200000000, 0.0017866100000000 ] - [ -0.0016386600000000, 0.0011141000000000, 0.0007373900000000 ] - [ 0.0005884600000000, 0.0000218800000000, -0.0008202800000000 ] - [ 0.0008576100000000, 0.0003664500000000, -0.0007379500000000 ] - [ 0.0008849000000000, -0.0004111900000000, -0.0007290000000000 ] - [ 0.0006392600000000, 0.0000114700000000, -0.0008045500000000 ] - [ -0.0036896500000000, -0.0000062600000000, -0.0020049900000000 ] - [ 0.0004543400000000, 0.0005819600000000, 0.0006067400000000 ] - [ -0.0008378100000000, 0.0000020200000000, 0.0007422400000000 ] - [ -0.0010877900000000, 0.0004270300000000, 0.0006656900000000 ] - [ -0.0019833100000000, 0.0004087900000000, -0.0035164400000000 ] - [ 0.0021730500000000, 0.0010025200000000, -0.0008578500000000 ] - [ 0.0021485300000000, -0.0003891400000000, 0.0003255300000000 ] - [ 0.0000694200000000, 0.0007059500000000, -0.0007250000000000 ] - [ -0.0011366000000000, -0.0003940000000000, 0.0006491700000000 ] - [ -0.0008659500000000, -0.0000471000000000, 0.0007309300000000 ]- atom: 129 displacement: [ 0.0099999367125711, 0.0000000000000000, -0.0000355773041697 ] forces: - [ 0.0146719800000000, 0.0080460700000000, -0.0076814400000000 ] - [ 0.0049174700000000, 0.0016168600000000, -0.0006087200000000 ] - [ -0.0055797500000000, 0.0028442600000000, 0.0003233300000000 ] - [ -0.0020608900000000, -0.0004035000000000, 0.0001827500000000 ] - [ -0.0052232800000000, -0.0001107000000000, 0.0002014600000000 ] - [ -0.0037597300000000, -0.0016570900000000, 0.0010092300000000 ] - [ 0.0054984300000000, -0.0025380800000000, -0.0005037500000000 ] - [ 0.0296812500000000, -0.0072387100000000, -0.0017845200000000 ] - [ 0.0136042300000000, 0.0064394100000000, 0.0015063600000000 ] - [ 0.0028559300000000, 0.0011238700000000, 0.0021179100000000 ] - [ -0.0023582700000000, 0.0005554000000000, -0.0022004200000000 ] - [ -0.0023420200000000, -0.0018327900000000, -0.0034449100000000 ] - [ -0.0031600600000000, 0.0003358600000000, -0.0027582500000000 ] - [ -0.0013529600000000, 0.0002662200000000, -0.0017307700000000 ] - [ 0.0035302600000000, -0.0022137200000000, 0.0027629800000000 ] - [ -0.0013272800000000, 0.0135600700000000, 0.0134881200000000 ] - [ -0.0178658400000000, 0.0105256300000000, 0.0114815000000000 ] - [ -0.0011470300000000, -0.0005142600000000, 0.0049383500000000 ] - [ 0.0050891900000000, 0.0027687700000000, -0.0052948600000000 ] - [ 0.0169264100000000, 0.0014142000000000, -0.0076839100000000 ] - [ 0.0192972400000000, -0.0035290400000000, -0.0053155500000000 ] - [ 0.0036795800000000, -0.0006153800000000, -0.0044653900000000 ] - [ -0.0005885300000000, 0.0025453000000000, 0.0034483900000000 ] - [ -0.0019625500000000, -0.0031537100000000, 0.0039362000000000 ] - [ 0.0010220100000000, -0.0065962600000000, 0.0001865600000000 ] - [ 0.0011525700000000, -0.0016841900000000, 0.0006623400000000 ] - [ 0.0040043200000000, 0.0055862700000000, 0.0060338700000000 ] - [ 0.0020935100000000, -0.0024995100000000, 0.0005078900000000 ] - [ 0.0104489700000000, -0.0007165600000000, 0.0003957600000000 ] - [ 0.0034793400000000, -0.0019244700000000, -0.0004653400000000 ] - [ 0.0018073300000000, 0.0063931100000000, 0.0008876600000000 ] - [ -0.0147933400000000, -0.0108534100000000, -0.0024486900000000 ] - [ 0.0021914700000000, 0.0036140000000000, -0.0028073400000000 ] - [ 0.0014246700000000, -0.0023570200000000, -0.0037662500000000 ] - [ 0.0090711300000000, -0.0038925500000000, 0.0195531900000000 ] - [ -0.0000082300000000, 0.0000481100000000, 0.0052114300000000 ] - [ 0.0010336400000000, 0.0019305900000000, 0.0064040800000000 ] - [ 0.0109095800000000, 0.0040495600000000, 0.0045602700000000 ] - [ -0.0090630700000000, 0.0099308200000000, -0.0148806300000000 ] - [ 0.0025600300000000, -0.0016440100000000, -0.0041657300000000 ] - [ 0.0052186300000000, 0.0022612100000000, 0.0011208500000000 ] - [ 0.0060966300000000, -0.0016818200000000, 0.0028261800000000 ] - [ 0.0041063100000000, 0.0022222100000000, 0.0054671800000000 ] - [ 0.0043928100000000, 0.0002426600000000, 0.0015265000000000 ] - [ 0.0067428500000000, 0.0030789000000000, 0.0017526500000000 ] - [ 0.0052773900000000, -0.0040605800000000, 0.0006874400000000 ] - [ 0.0428790600000000, 0.0002405300000000, 0.0183459400000000 ] - [ 0.0046707800000000, -0.0008956500000000, 0.0009248100000000 ] - [ -0.0048608300000000, -0.0017135400000000, -0.0009709900000000 ] - [ -0.0043270100000000, -0.0022887900000000, -0.0010207800000000 ] - [ -0.0067916200000000, 0.0047794200000000, -0.0037335000000000 ] - [ 0.0013147200000000, -0.0008803900000000, 0.0006785700000000 ] - [ 0.0002982900000000, -0.0007322500000000, 0.0013947800000000 ] - [ -0.0152684200000000, 0.0003367700000000, 0.0031272900000000 ] - [ -0.0054474500000000, 0.0023869600000000, -0.0008644900000000 ] - [ -0.0039421500000000, 0.0015667800000000, -0.0008666000000000 ] - [ -0.0026855300000000, 0.0000298000000000, -0.0008630700000000 ] - [ -0.0025711200000000, -0.0012040300000000, -0.0007320000000000 ] - [ -0.0032917700000000, -0.0008028900000000, -0.0082327500000000 ] - [ 0.0004381500000000, 0.0012111800000000, 0.0000403900000000 ] - [ -0.0003342400000000, -0.0033183900000000, 0.0010710300000000 ] - [ -0.0079359600000000, 0.0092553600000000, -0.0058741500000000 ] - [ -0.0032527400000000, 0.0007897700000000, -0.0010520200000000 ] - [ -0.0021909400000000, 0.0005593600000000, -0.0003012600000000 ] - [ -0.0028634500000000, -0.0001374000000000, 0.0044447500000000 ] - [ -0.0047611200000000, 0.0023980400000000, 0.0049796000000000 ] - [ -0.0007262900000000, -0.0004547300000000, -0.0044159000000000 ] - [ 0.0000268700000000, 0.0001325200000000, -0.0045515500000000 ] - [ -0.0001934900000000, 0.0000228100000000, -0.0045064100000000 ] - [ -0.0005077500000000, 0.0002893300000000, -0.0044662900000000 ] - [ -0.0045918800000000, -0.0018608200000000, 0.0049044200000000 ] - [ -0.0026517900000000, -0.0001276000000000, 0.0043009100000000 ] - [ -0.0012397400000000, -0.0049365900000000, 0.0002258600000000 ] - [ -0.0010936300000000, -0.0000055500000000, -0.0001056500000000 ] - [ -0.0038275500000000, -0.0049317100000000, -0.0014711500000000 ] - [ -0.0029760400000000, -0.0043446100000000, -0.0012440600000000 ] - [ -0.0029656100000000, 0.0045923800000000, -0.0012742300000000 ] - [ -0.0037295100000000, 0.0046748900000000, -0.0014033900000000 ] - [ -0.0013226900000000, -0.0000568600000000, -0.0000003300000000 ] - [ -0.0001047200000000, 0.0051439600000000, 0.0005749400000000 ] - [ -0.0005789200000000, -0.0013064100000000, -0.0060129800000000 ] - [ 0.0008015700000000, 0.0004927800000000, -0.0043727900000000 ] - [ -0.0033239800000000, 0.0009350800000000, 0.0029583200000000 ] - [ -0.0036291900000000, 0.0011722200000000, 0.0028208100000000 ] - [ -0.0037573100000000, -0.0013643400000000, 0.0026794800000000 ] - [ -0.0031753400000000, -0.0007561300000000, 0.0031023500000000 ] - [ 0.0007457600000000, -0.0008906600000000, -0.0045759200000000 ] - [ -0.0003055300000000, 0.0018870400000000, -0.0058113500000000 ] - [ -0.0065126600000000, -0.0000496600000000, -0.0022717100000000 ] - [ -0.0045633700000000, 0.0009718400000000, -0.0017036200000000 ] - [ -0.0046730800000000, 0.0009491900000000, -0.0008351000000000 ] - [ -0.0071213900000000, 0.0012871000000000, -0.0015722800000000 ] - [ -0.0074458500000000, -0.0012970700000000, -0.0016564700000000 ] - [ -0.0042659200000000, -0.0009565900000000, -0.0007148300000000 ] - [ -0.0050185000000000, -0.0009842400000000, -0.0018370800000000 ] - [ -0.0057350800000000, 0.0002050300000000, -0.0020114500000000 ] - [ 0.0071620400000000, -0.0022795500000000, 0.0013524800000000 ] - [ 0.0050131300000000, 0.0015166400000000, 0.0025229000000000 ] - [ 0.0080067900000000, 0.0001849600000000, 0.0019752500000000 ] - [ 0.0050307200000000, 0.0010527900000000, 0.0009281200000000 ] - [ 0.0741478900000000, -0.0119310400000000, 0.0133104300000000 ] - [ -0.0047071900000000, -0.0014302100000000, -0.0020509700000000 ] - [ -0.0102520900000000, -0.0101037400000000, -0.0010397700000000 ] - [ -0.0135538300000000, 0.0144966800000000, 0.0045457300000000 ] - [ -0.0020941000000000, -0.0088416000000000, -0.0370436400000000 ] - [ -0.0052660200000000, 0.0011893300000000, -0.0003680700000000 ] - [ -0.0047291900000000, -0.0039036300000000, -0.0019458700000000 ] - [ -0.0019898800000000, 0.0069002100000000, -0.0007637200000000 ] - [ 0.0075812500000000, -0.0141589800000000, 0.0300648800000000 ] - [ -0.0044156300000000, -0.0028034300000000, -0.0011320200000000 ] - [ -0.0045942000000000, 0.0063556200000000, -0.0029521900000000 ] - [ 0.0459504400000000, -0.0360040800000000, -0.0117666700000000 ] - [ 0.0046954800000000, 0.0011745800000000, -0.0000465300000000 ] - [ 0.0051309000000000, -0.0054087600000000, -0.0001147800000000 ] - [ 0.0083311500000000, -0.0006204200000000, 0.0028805000000000 ] - [ 0.0057424700000000, -0.0014807400000000, 0.0024320100000000 ] - [ 0.0060743900000000, 0.0011223800000000, 0.0024971900000000 ] - [ 0.0081054200000000, 0.0010564900000000, 0.0028590200000000 ] - [ 0.0061520400000000, 0.0042576500000000, 0.0005524900000000 ] - [ 0.0041079100000000, -0.0009434700000000, -0.0001454300000000 ] - [ -0.0015026200000000, 0.0020164700000000, 0.0008656100000000 ] - [ 0.0004858900000000, -0.0022580000000000, -0.0006703100000000 ] - [ 0.0012930200000000, 0.0005292200000000, 0.0001204600000000 ] - [ 0.0006482500000000, -0.0000153400000000, 0.0002020200000000 ] - [ 0.0017471700000000, 0.0000365400000000, 0.0005769600000000 ] - [ 0.0008166100000000, -0.0004162000000000, 0.0000225800000000 ] - [ 0.0029961000000000, 0.0062583400000000, -0.0020177100000000 ] - [ -0.0018577700000000, -0.0025582000000000, 0.0007970700000000 ] - [ -0.2134136800000000, 0.0188519300000000, -0.0034489400000000 ] - [ -0.0120638500000000, 0.0007405900000000, -0.0025908000000000 ] - [ 0.0057374700000000, -0.0125419700000000, 0.0008079400000000 ] - [ 0.0057208800000000, 0.0147627400000000, 0.0006944600000000 ] - [ 0.0100770700000000, -0.0052876900000000, 0.0012041700000000 ] - [ 0.0010147400000000, 0.0021321800000000, -0.0006690800000000 ] - [ -0.0137795400000000, -0.0039860200000000, -0.0035661500000000 ] - [ -0.0341660500000000, 0.0009435100000000, -0.0274782200000000 ] - [ 0.0079100000000000, -0.0002656100000000, 0.0033200200000000 ] - [ 0.0079134000000000, -0.0003287000000000, 0.0036129100000000 ] - [ 0.0154051000000000, 0.0037150800000000, 0.0027462400000000 ] - [ 0.0043586600000000, -0.0006246000000000, 0.0002553500000000 ] - [ 0.0056146600000000, 0.0028832600000000, 0.0011167200000000 ] - [ 0.0145518200000000, -0.0041720500000000, 0.0040543500000000 ] - [ 0.0091657000000000, 0.0005468600000000, 0.0040382100000000 ] - [ 0.0068907000000000, -0.0000552500000000, 0.0030328000000000 ]- atom: 129 displacement: [ -0.0099999367125711, 0.0000000000000000, 0.0000355773041697 ] forces: - [ -0.0148791300000000, -0.0087800700000000, 0.0062044600000000 ] - [ -0.0052139300000000, -0.0023830100000000, -0.0008721100000000 ] - [ 0.0059141500000000, -0.0036382400000000, 0.0011585200000000 ] - [ 0.0023837800000000, -0.0003735200000000, 0.0012991200000000 ] - [ 0.0055560100000000, 0.0008832200000000, 0.0012854300000000 ] - [ 0.0040853400000000, 0.0024411400000000, 0.0004722400000000 ] - [ -0.0057942600000000, 0.0033129100000000, -0.0009763900000000 ] - [ -0.0280515200000000, 0.0069021400000000, -0.0001381300000000 ] - [ -0.0131530800000000, -0.0070273700000000, 0.0008629300000000 ] - [ -0.0030844400000000, -0.0020269000000000, -0.0002659500000000 ] - [ 0.0026005200000000, -0.0014713500000000, 0.0003511300000000 ] - [ 0.0025833800000000, 0.0009305700000000, 0.0016016900000000 ] - [ 0.0034090600000000, 0.0005727100000000, 0.0009116500000000 ] - [ 0.0015976800000000, 0.0006558300000000, -0.0001259900000000 ] - [ -0.0037507400000000, 0.0031117400000000, -0.0009120800000000 ] - [ 0.0010730100000000, -0.0125834400000000, -0.0115647600000000 ] - [ 0.0146504900000000, -0.0097664100000000, -0.0023837400000000 ] - [ -0.0021779200000000, 0.0013378400000000, 0.0041874400000000 ] - [ -0.0017763900000000, -0.0018523800000000, -0.0038793300000000 ] - [ -0.0136103500000000, -0.0006826300000000, -0.0014974200000000 ] - [ -0.0163870700000000, 0.0028110900000000, -0.0031588600000000 ] - [ -0.0003695600000000, -0.0001961000000000, -0.0046582800000000 ] - [ -0.0027427300000000, -0.0033766800000000, 0.0056790300000000 ] - [ -0.0013619200000000, 0.0023444600000000, 0.0051918600000000 ] - [ 0.0012265600000000, -0.0005511900000000, 0.0012982800000000 ] - [ 0.0010980100000000, -0.0054698000000000, 0.0008224100000000 ] - [ -0.0062569700000000, -0.0126974000000000, -0.0075475300000000 ] - [ -0.0043573500000000, -0.0046936700000000, -0.0019919000000000 ] - [ -0.0127089900000000, 0.0079353000000000, -0.0018867900000000 ] - [ -0.0057260700000000, 0.0090078500000000, -0.0010205400000000 ] - [ 0.0004432700000000, 0.0007645900000000, 0.0005963900000000 ] - [ 0.0171039600000000, 0.0180545600000000, 0.0039604100000000 ] - [ 0.0014521200000000, -0.0029318500000000, -0.0052478100000000 ] - [ 0.0022222600000000, 0.0030662900000000, -0.0042832100000000 ] - [ -0.0127014300000000, 0.0045752000000000, -0.0114939700000000 ] - [ -0.0036480100000000, 0.0006602600000000, 0.0028296600000000 ] - [ -0.0047099700000000, -0.0025346700000000, 0.0016846400000000 ] - [ -0.0145560700000000, -0.0048798800000000, 0.0035609800000000 ] - [ 0.0127465200000000, -0.0106593900000000, 0.0068713200000000 ] - [ 0.0010867100000000, 0.0009512400000000, -0.0038821700000000 ] - [ -0.0048995000000000, -0.0006836500000000, -0.0019127800000000 ] - [ -0.0058075700000000, 0.0032646600000000, -0.0036410200000000 ] - [ -0.0045661200000000, -0.0006263900000000, -0.0047354900000000 ] - [ -0.0047753500000000, 0.0013388100000000, -0.0007542400000000 ] - [ -0.0072607900000000, -0.0046524800000000, -0.0010016000000000 ] - [ -0.0057303200000000, 0.0024823300000000, 0.0000730700000000 ] - [ -0.0461059200000000, -0.0018138200000000, -0.0207347200000000 ] - [ -0.0043457700000000, -0.0006755100000000, -0.0017122100000000 ] - [ 0.0045185100000000, 0.0009238400000000, -0.0005119200000000 ] - [ 0.0039859500000000, 0.0015046100000000, -0.0004628600000000 ] - [ 0.0071336700000000, -0.0055636000000000, 0.0051740100000000 ] - [ -0.0009575700000000, 0.0000888300000000, 0.0008044900000000 ] - [ 0.0000580600000000, 0.0015207300000000, 0.0000915800000000 ] - [ 0.0155246100000000, 0.0004626900000000, -0.0016168300000000 ] - [ 0.0051087300000000, -0.0016018500000000, -0.0006175300000000 ] - [ 0.0035954700000000, -0.0007725600000000, -0.0006152200000000 ] - [ 0.0024292700000000, -0.0009531300000000, 0.0027105800000000 ] - [ 0.0023171500000000, 0.0002962200000000, 0.0025715300000000 ] - [ 0.0035576700000000, -0.0001028100000000, 0.0064107200000000 ] - [ -0.0001783800000000, -0.0021115800000000, -0.0018722700000000 ] - [ 0.0006031500000000, 0.0042180800000000, -0.0028993500000000 ] - [ 0.0081508900000000, -0.0082933400000000, 0.0040195700000000 ] - [ 0.0030068100000000, 0.0001185900000000, 0.0028956500000000 ] - [ 0.0019399500000000, 0.0003556300000000, 0.0021441700000000 ] - [ -0.0004476700000000, 0.0009489300000000, 0.0046819200000000 ] - [ 0.0014355300000000, -0.0015720500000000, 0.0041509800000000 ] - [ 0.0040369500000000, 0.0012718700000000, -0.0047094600000000 ] - [ 0.0032848700000000, 0.0006846300000000, -0.0045740800000000 ] - [ 0.0035050700000000, -0.0008393400000000, -0.0046201300000000 ] - [ 0.0038195800000000, -0.0011048600000000, -0.0046614300000000 ] - [ 0.0012723300000000, 0.0010394800000000, 0.0042225800000000 ] - [ -0.0006608100000000, -0.0006882400000000, 0.0048240000000000 ] - [ 0.0035003400000000, -0.0022339300000000, 0.0012615800000000 ] - [ 0.0033488500000000, -0.0071443900000000, 0.0015899100000000 ] - [ 0.0015624200000000, -0.0022312800000000, -0.0000169800000000 ] - [ 0.0007094400000000, -0.0028249800000000, -0.0002449300000000 ] - [ 0.0007000400000000, 0.0025672400000000, -0.0002147400000000 ] - [ 0.0014650900000000, 0.0024900500000000, -0.0000849400000000 ] - [ 0.0035831400000000, 0.0072103800000000, 0.0014876400000000 ] - [ 0.0023693300000000, 0.0020289800000000, 0.0009139800000000 ] - [ 0.0042280000000000, 0.0020031200000000, -0.0020368300000000 ] - [ 0.0028541100000000, 0.0002108500000000, -0.0036679900000000 ] - [ -0.0003338800000000, -0.0002336500000000, 0.0050840700000000 ] - [ -0.0000288100000000, -0.0004691400000000, 0.0052231600000000 ] - [ 0.0000991100000000, 0.0006607700000000, 0.0053602400000000 ] - [ -0.0004820100000000, 0.0000550300000000, 0.0049395400000000 ] - [ 0.0029116500000000, 0.0001840100000000, -0.0034668800000000 ] - [ 0.0039561100000000, -0.0025797300000000, -0.0022384400000000 ] - [ 0.0068554000000000, 0.0016270900000000, 0.0014865400000000 ] - [ 0.0049105100000000, 0.0006086300000000, 0.0009206600000000 ] - [ 0.0043157200000000, 0.0006287100000000, 0.0016151500000000 ] - [ 0.0067502900000000, 0.0002939000000000, 0.0023486800000000 ] - [ 0.0070765000000000, -0.0002823500000000, 0.0024338700000000 ] - [ 0.0039101800000000, -0.0006231000000000, 0.0014957100000000 ] - [ 0.0053687500000000, -0.0005968400000000, 0.0010546200000000 ] - [ 0.0060835100000000, -0.0017807000000000, 0.0012287700000000 ] - [ -0.0071571900000000, 0.0012426000000000, -0.0013492700000000 ] - [ -0.0049952100000000, -0.0025723700000000, -0.0025194700000000 ] - [ -0.0080109900000000, 0.0008633600000000, -0.0019782500000000 ] - [ -0.0050129700000000, -0.0000115200000000, -0.0009215900000000 ] - [ -0.0767765700000000, 0.0092605200000000, -0.0161100000000000 ] - [ 0.0027803200000000, -0.0013303200000000, -0.0005226800000000 ] - [ 0.0124895000000000, 0.0070189600000000, 0.0036527600000000 ] - [ 0.0157033200000000, -0.0170732500000000, -0.0019328000000000 ] - [ 0.0041532800000000, 0.0115192800000000, 0.0398990800000000 ] - [ 0.0072570500000000, 0.0015731600000000, 0.0029572100000000 ] - [ 0.0028135000000000, 0.0066698000000000, -0.0006218900000000 ] - [ 0.0000780300000000, -0.0041700900000000, -0.0018054100000000 ] - [ -0.0076249400000000, 0.0130632700000000, -0.0298402900000000 ] - [ 0.0043729500000000, 0.0017426600000000, 0.0011231300000000 ] - [ 0.0045431600000000, -0.0052864400000000, 0.0029312300000000 ] - [ -0.0454300200000000, 0.0366122300000000, 0.0116002100000000 ] - [ -0.0066560300000000, -0.0039166300000000, -0.0025343000000000 ] - [ -0.0070830400000000, 0.0026328900000000, -0.0024673000000000 ] - [ -0.0063536700000000, -0.0021302400000000, -0.0002946100000000 ] - [ -0.0037753300000000, -0.0012726900000000, 0.0001510100000000 ] - [ -0.0041034000000000, 0.0016345000000000, 0.0000865400000000 ] - [ -0.0061294900000000, 0.0016949300000000, -0.0002747400000000 ] - [ -0.0081040200000000, -0.0014903200000000, -0.0031285000000000 ] - [ -0.0060636600000000, 0.0036833000000000, -0.0024352300000000 ] - [ 0.0014826200000000, -0.0020105800000000, -0.0008622300000000 ] - [ -0.0004897400000000, 0.0022465500000000, 0.0006640500000000 ] - [ -0.0012929200000000, -0.0005305500000000, -0.0001187500000000 ] - [ -0.0006452200000000, 0.0000151400000000, -0.0002019700000000 ] - [ -0.0017477500000000, -0.0000373500000000, -0.0005785700000000 ] - [ -0.0008130700000000, 0.0004146000000000, -0.0000217000000000 ] - [ -0.0030150100000000, -0.0062364400000000, 0.0020130700000000 ] - [ 0.0018390800000000, 0.0025447500000000, -0.0007951600000000 ] - [ 0.2128463400000000, -0.0173276000000000, 0.0056377100000000 ] - [ 0.0103326400000000, -0.0003461100000000, 0.0040585200000000 ] - [ -0.0039824700000000, 0.0130264100000000, -0.0022794700000000 ] - [ -0.0039994800000000, -0.0144223300000000, -0.0021643900000000 ] - [ -0.0083645900000000, 0.0049085600000000, -0.0026532500000000 ] - [ 0.0007199100000000, -0.0025536900000000, -0.0008005700000000 ] - [ 0.0120407900000000, 0.0035324700000000, 0.0050396200000000 ] - [ 0.0323833300000000, -0.0012814300000000, 0.0289020400000000 ] - [ -0.0095960400000000, 0.0006811300000000, -0.0018349900000000 ] - [ -0.0095935400000000, 0.0007339400000000, -0.0021297100000000 ] - [ -0.0136603800000000, -0.0032751300000000, -0.0042271000000000 ] - [ -0.0026771400000000, 0.0010296800000000, -0.0017388800000000 ] - [ -0.0039282900000000, -0.0032790400000000, -0.0025986400000000 ] - [ -0.0128112800000000, 0.0037444700000000, -0.0055095500000000 ] - [ -0.0108442000000000, -0.0009516700000000, -0.0025550600000000 ] - [ -0.0085753900000000, -0.0003597600000000, -0.0015466000000000 ]- atom: 129 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0104546000000000, 0.0124961100000000, 0.0008329200000000 ] - [ -0.0044685800000000, -0.0052018100000000, -0.0001418000000000 ] - [ 0.0015293200000000, -0.0005894400000000, 0.0009951800000000 ] - [ -0.0007070800000000, -0.0005018900000000, 0.0005097900000000 ] - [ 0.0028661800000000, 0.0019936700000000, 0.0004214100000000 ] - [ -0.0018243800000000, -0.0010095700000000, 0.0009800600000000 ] - [ -0.0001336500000000, -0.0031798100000000, -0.0015159000000000 ] - [ -0.0098214100000000, 0.0121249600000000, 0.0013945000000000 ] - [ 0.0040345700000000, 0.0174119600000000, -0.0015416500000000 ] - [ -0.0008222300000000, -0.0045858900000000, 0.0021849300000000 ] - [ 0.0014912000000000, -0.0009308200000000, 0.0000218500000000 ] - [ -0.0009267600000000, -0.0000099500000000, -0.0015867700000000 ] - [ 0.0008379300000000, 0.0014779000000000, -0.0009331700000000 ] - [ -0.0002634000000000, -0.0004629800000000, -0.0007602500000000 ] - [ -0.0020948400000000, -0.0017912300000000, 0.0000602800000000 ] - [ 0.0051920200000000, -0.0047661400000000, -0.0019773500000000 ] - [ -0.0012347000000000, 0.0036857700000000, 0.0054962600000000 ] - [ -0.0017140100000000, -0.0026529500000000, 0.0039817600000000 ] - [ -0.0006624400000000, -0.0180122400000000, 0.0034502500000000 ] - [ 0.0035102600000000, -0.0013090300000000, -0.0143539000000000 ] - [ -0.0020547800000000, 0.0152138000000000, -0.0021774900000000 ] - [ 0.0027126600000000, -0.0069499400000000, -0.0058215400000000 ] - [ -0.0004636700000000, -0.0008760000000000, 0.0062820200000000 ] - [ -0.0039919800000000, -0.0010590800000000, 0.0033993200000000 ] - [ -0.0014385000000000, 0.0022522600000000, 0.0000802500000000 ] - [ 0.0027561900000000, -0.0082725300000000, 0.0012232900000000 ] - [ 0.0007182200000000, -0.0005564000000000, -0.0013084200000000 ] - [ -0.0034185200000000, -0.0139627100000000, -0.0009143000000000 ] - [ 0.0042223600000000, 0.0496265600000000, -0.0038567600000000 ] - [ 0.0015003900000000, -0.0201809100000000, -0.0002891200000000 ] - [ 0.0011502500000000, -0.0014671400000000, 0.0007801900000000 ] - [ 0.0020338800000000, 0.0093855900000000, 0.0008314400000000 ] - [ 0.0036115100000000, 0.0002652100000000, -0.0043738200000000 ] - [ -0.0005076600000000, -0.0005073800000000, -0.0044861500000000 ] - [ -0.0031810100000000, 0.0205669500000000, -0.0029836800000000 ] - [ -0.0014923300000000, -0.0070973600000000, 0.0054359800000000 ] - [ -0.0001675900000000, -0.0200340700000000, -0.0040184000000000 ] - [ -0.0025194900000000, 0.0110815200000000, 0.0064541600000000 ] - [ 0.0020970600000000, 0.0026864300000000, -0.0042578200000000 ] - [ 0.0017862200000000, -0.0033396200000000, -0.0036709200000000 ] - [ 0.0035093400000000, -0.0008102800000000, 0.0005901500000000 ] - [ -0.0085482300000000, 0.0027009900000000, -0.0031430700000000 ] - [ 0.0034180900000000, 0.0028266500000000, 0.0019204100000000 ] - [ -0.0017353100000000, -0.0020971900000000, -0.0001993700000000 ] - [ 0.0236399100000000, -0.0097091000000000, 0.0057943600000000 ] - [ -0.0186356500000000, -0.0082329500000000, -0.0048567700000000 ] - [ -0.0006452400000000, 0.0094153800000000, -0.0003364200000000 ] - [ 0.0009521700000000, -0.0042281600000000, -0.0002823800000000 ] - [ 0.0007949100000000, 0.0000265600000000, -0.0006804100000000 ] - [ -0.0006663900000000, -0.0006633800000000, -0.0007595400000000 ] - [ -0.0012533300000000, 0.0057184300000000, 0.0001291700000000 ] - [ 0.0005425100000000, -0.0027993600000000, 0.0002759300000000 ] - [ -0.0031067500000000, -0.0027276000000000, 0.0013174400000000 ] - [ 0.0124573700000000, 0.0039918000000000, -0.0009382700000000 ] - [ 0.0006063000000000, 0.0004903800000000, -0.0007077700000000 ] - [ -0.0004188500000000, 0.0001417900000000, -0.0007664000000000 ] - [ 0.0003387100000000, -0.0006878600000000, 0.0014575100000000 ] - [ -0.0003187100000000, -0.0002217900000000, 0.0005852200000000 ] - [ -0.0005139200000000, 0.0049542000000000, -0.0037041500000000 ] - [ 0.0004396800000000, -0.0035781100000000, -0.0015223000000000 ] - [ -0.0025226500000000, -0.0025026600000000, -0.0011729200000000 ] - [ 0.0061127800000000, -0.0024125500000000, 0.0028852600000000 ] - [ 0.0002695700000000, 0.0011229500000000, 0.0013825200000000 ] - [ -0.0002285500000000, -0.0002382800000000, 0.0006255500000000 ] - [ -0.0021716100000000, 0.0002663100000000, 0.0047924800000000 ] - [ -0.0005200800000000, 0.0001855800000000, 0.0044320900000000 ] - [ 0.0019468900000000, 0.0008327900000000, -0.0046896000000000 ] - [ 0.0016111200000000, 0.0000550600000000, -0.0044649900000000 ] - [ 0.0016796100000000, -0.0004455100000000, -0.0045964200000000 ] - [ 0.0018405100000000, -0.0004293600000000, -0.0045114200000000 ] - [ -0.0012666800000000, 0.0009907600000000, 0.0041960900000000 ] - [ -0.0018150000000000, -0.0015391800000000, 0.0047267900000000 ] - [ -0.0006401600000000, -0.0021923600000000, 0.0002756800000000 ] - [ 0.0024061500000000, -0.0052203000000000, 0.0012541500000000 ] - [ -0.0007923400000000, -0.0028256600000000, -0.0006441500000000 ] - [ -0.0012291800000000, -0.0042163900000000, -0.0007769000000000 ] - [ -0.0009506600000000, 0.0029927200000000, -0.0006771400000000 ] - [ -0.0010378000000000, 0.0040396400000000, -0.0007462500000000 ] - [ 0.0005485900000000, 0.0050118500000000, 0.0006796400000000 ] - [ 0.0017888300000000, 0.0023409000000000, 0.0007636600000000 ] - [ 0.0020269200000000, 0.0021653400000000, -0.0032346400000000 ] - [ 0.0017631100000000, -0.0010228100000000, -0.0042718100000000 ] - [ -0.0018464400000000, 0.0003372600000000, 0.0040603000000000 ] - [ -0.0016290500000000, 0.0002933000000000, 0.0040851000000000 ] - [ -0.0016363500000000, 0.0001042400000000, 0.0042474700000000 ] - [ -0.0018281500000000, -0.0007204400000000, 0.0039365900000000 ] - [ 0.0016000200000000, -0.0006751100000000, -0.0044043500000000 ] - [ 0.0023197600000000, -0.0002656900000000, -0.0038339500000000 ] - [ 0.0000648700000000, 0.0014455700000000, -0.0003254100000000 ] - [ 0.0006822900000000, 0.0003008900000000, -0.0002981100000000 ] - [ -0.0008342300000000, 0.0006241100000000, 0.0001834300000000 ] - [ 0.0011115900000000, 0.0009006300000000, 0.0007826700000000 ] - [ 0.0006978300000000, -0.0004263500000000, 0.0006509100000000 ] - [ -0.0002113100000000, -0.0011045100000000, 0.0003712000000000 ] - [ -0.0002063200000000, -0.0006932900000000, -0.0004620800000000 ] - [ 0.0012207000000000, -0.0009874000000000, -0.0002064300000000 ] - [ -0.0018056800000000, -0.0004261300000000, -0.0007778900000000 ] - [ 0.0011543800000000, -0.0006202900000000, 0.0005204100000000 ] - [ -0.0019543000000000, -0.0011229200000000, -0.0000998400000000 ] - [ 0.0011687900000000, 0.0021162400000000, -0.0000505800000000 ] - [ -0.0031524100000000, -0.0104951700000000, -0.0020215300000000 ] - [ -0.0013592600000000, 0.0062939300000000, -0.0012416300000000 ] - [ -0.0315151100000000, 0.0720631200000000, -0.0039398700000000 ] - [ 0.0235919800000000, 0.0590545400000000, 0.0101686900000000 ] - [ -0.0040850300000000, -0.0063242200000000, 0.0021949700000000 ] - [ 0.0034447200000000, 0.0162899900000000, 0.0017371000000000 ] - [ -0.0057153600000000, 0.0057036100000000, -0.0027412700000000 ] - [ 0.0089778800000000, -0.0017068500000000, 0.0014620300000000 ] - [ -0.0056630000000000, -0.0272853500000000, 0.0128797000000000 ] - [ 0.0021910500000000, 0.0072620700000000, -0.0009658600000000 ] - [ 0.0037206600000000, 0.0068524800000000, 0.0002132100000000 ] - [ -0.0307921200000000, 0.0144282500000000, 0.0033130800000000 ] - [ -0.0002537100000000, -0.0017696500000000, -0.0011909800000000 ] - [ -0.0025954300000000, -0.0005048400000000, -0.0011863100000000 ] - [ 0.0003030700000000, -0.0023617400000000, 0.0011810300000000 ] - [ 0.0008866900000000, -0.0004804600000000, 0.0012555400000000 ] - [ 0.0013896500000000, 0.0017890700000000, 0.0013608300000000 ] - [ -0.0000489100000000, 0.0009954700000000, 0.0010676200000000 ] - [ -0.0000646500000000, -0.0021410700000000, -0.0013464900000000 ] - [ -0.0019866500000000, 0.0041538100000000, -0.0014285600000000 ] - [ 0.0013590400000000, -0.0009047500000000, 0.0002273900000000 ] - [ -0.0014169500000000, 0.0020361900000000, 0.0005086400000000 ] - [ -0.0000213900000000, -0.0003671800000000, 0.0001874900000000 ] - [ -0.0000505100000000, 0.0003255100000000, -0.0001832500000000 ] - [ 0.0001724400000000, -0.0003815000000000, -0.0001579800000000 ] - [ -0.0003022300000000, 0.0004006100000000, 0.0001323900000000 ] - [ 0.0060709900000000, 0.0012475700000000, 0.0017107100000000 ] - [ -0.0005898100000000, 0.0018250500000000, -0.0010194100000000 ] - [ 0.0171815600000000, -0.1945678300000000, -0.0028029300000000 ] - [ -0.0002875500000000, 0.0276997900000000, 0.0013947100000000 ] - [ -0.0138275700000000, 0.0006703300000000, -0.0056638600000000 ] - [ 0.0135990700000000, 0.0007546900000000, 0.0033849300000000 ] - [ -0.0042374000000000, -0.0062564900000000, -0.0022691600000000 ] - [ 0.0031648800000000, 0.0058362100000000, 0.0000214400000000 ] - [ 0.0029266000000000, 0.0134830800000000, 0.0003672300000000 ] - [ -0.0019231900000000, -0.0136506800000000, 0.0022624300000000 ] - [ -0.0013632400000000, 0.0002424500000000, 0.0005632100000000 ] - [ -0.0013099400000000, 0.0002494400000000, 0.0006302000000000 ] - [ -0.0026641300000000, -0.0056867200000000, 0.0006264500000000 ] - [ 0.0016755400000000, 0.0041327500000000, -0.0012788900000000 ] - [ 0.0039387000000000, 0.0026745200000000, 0.0011310800000000 ] - [ -0.0031391100000000, -0.0026351500000000, -0.0043837100000000 ] - [ -0.0015818900000000, -0.0012229800000000, 0.0005853600000000 ] - [ -0.0009881300000000, 0.0007669200000000, 0.0006271400000000 ]- atom: 129 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0108039700000000, -0.0133737500000000, -0.0022746000000000 ] - [ 0.0041033500000000, 0.0043922800000000, -0.0013443900000000 ] - [ -0.0011922300000000, -0.0001999900000000, 0.0004843200000000 ] - [ 0.0010744000000000, -0.0003118400000000, 0.0009635100000000 ] - [ -0.0025082800000000, -0.0011756700000000, 0.0010547700000000 ] - [ 0.0021759200000000, 0.0018045700000000, 0.0005034300000000 ] - [ -0.0002415700000000, 0.0039836000000000, 0.0000392300000000 ] - [ 0.0100457000000000, -0.0115302800000000, -0.0030292300000000 ] - [ -0.0041200800000000, -0.0182750300000000, 0.0035102300000000 ] - [ 0.0005480000000000, 0.0036811000000000, -0.0003669900000000 ] - [ -0.0012340200000000, 0.0000495400000000, -0.0018351300000000 ] - [ 0.0011890700000000, -0.0009082400000000, -0.0002484600000000 ] - [ -0.0005993300000000, -0.0005744100000000, -0.0009102900000000 ] - [ 0.0005275100000000, 0.0013750200000000, -0.0010760300000000 ] - [ 0.0018248400000000, 0.0026960500000000, 0.0017696700000000 ] - [ -0.0054564300000000, 0.0056214200000000, 0.0037919900000000 ] - [ -0.0021545800000000, -0.0028089700000000, 0.0036553100000000 ] - [ -0.0015765100000000, 0.0034547800000000, 0.0051303800000000 ] - [ 0.0039609100000000, 0.0187484900000000, -0.0125319800000000 ] - [ -0.0003280500000000, 0.0013890000000000, 0.0050369400000000 ] - [ 0.0053780500000000, -0.0160596700000000, -0.0069699700000000 ] - [ 0.0006042200000000, 0.0061333300000000, -0.0033100500000000 ] - [ -0.0028318700000000, 0.0000895100000000, 0.0028434900000000 ] - [ 0.0006925200000000, 0.0002360700000000, 0.0057211700000000 ] - [ 0.0037029500000000, -0.0094517300000000, 0.0014076500000000 ] - [ -0.0004862500000000, 0.0011175900000000, 0.0002689900000000 ] - [ -0.0029417900000000, -0.0064428200000000, -0.0001744200000000 ] - [ 0.0011466300000000, 0.0067576300000000, -0.0005792900000000 ] - [ -0.0065895500000000, -0.0385781600000000, 0.0020773900000000 ] - [ -0.0037414600000000, 0.0274020200000000, -0.0011915900000000 ] - [ 0.0011318900000000, 0.0086495400000000, 0.0007146100000000 ] - [ 0.0001407500000000, -0.0023152300000000, 0.0006427300000000 ] - [ 0.0000618300000000, 0.0004710000000000, -0.0036557600000000 ] - [ 0.0041720100000000, 0.0012045900000000, -0.0035414700000000 ] - [ -0.0004719500000000, -0.0199020500000000, 0.0110464900000000 ] - [ -0.0021677000000000, 0.0078025000000000, 0.0026087800000000 ] - [ -0.0034710300000000, 0.0192335300000000, 0.0120131700000000 ] - [ -0.0014824500000000, -0.0131551200000000, 0.0020204100000000 ] - [ 0.0014963500000000, -0.0033284700000000, -0.0038289000000000 ] - [ 0.0018844700000000, 0.0026186100000000, -0.0043497500000000 ] - [ -0.0031352000000000, 0.0023954300000000, -0.0013656200000000 ] - [ 0.0088893400000000, -0.0011582300000000, 0.0023664800000000 ] - [ -0.0038385900000000, -0.0011747900000000, -0.0011443100000000 ] - [ 0.0014186800000000, 0.0036696900000000, 0.0009907900000000 ] - [ -0.0237797100000000, 0.0080561500000000, -0.0049615100000000 ] - [ 0.0184193100000000, 0.0067035700000000, 0.0056760300000000 ] - [ 0.0010087300000000, -0.0109902800000000, -0.0004164700000000 ] - [ -0.0005797300000000, 0.0026465400000000, -0.0004927500000000 ] - [ -0.0011478300000000, -0.0008221400000000, -0.0008014900000000 ] - [ 0.0003093400000000, -0.0001462300000000, -0.0007216300000000 ] - [ 0.0016384800000000, -0.0065432500000000, 0.0013557900000000 ] - [ -0.0002120400000000, 0.0020058400000000, 0.0012014900000000 ] - [ 0.0034328300000000, 0.0035182100000000, 0.0001655800000000 ] - [ -0.0120505500000000, -0.0031958600000000, 0.0024136200000000 ] - [ -0.0009698300000000, 0.0003204800000000, -0.0007665100000000 ] - [ 0.0000683900000000, 0.0006622700000000, -0.0007120200000000 ] - [ -0.0006008900000000, -0.0002181400000000, 0.0003786000000000 ] - [ 0.0000707900000000, -0.0006848000000000, 0.0012503900000000 ] - [ 0.0007871700000000, -0.0058324200000000, 0.0019249500000000 ] - [ -0.0001888900000000, 0.0026720500000000, -0.0003177700000000 ] - [ 0.0027697100000000, 0.0034035000000000, -0.0006594600000000 ] - [ -0.0058450000000000, 0.0032791500000000, -0.0046990400000000 ] - [ -0.0005323900000000, -0.0002114600000000, 0.0004499700000000 ] - [ -0.0000231100000000, 0.0011264000000000, 0.0011968600000000 ] - [ -0.0011400000000000, 0.0005441100000000, 0.0043253500000000 ] - [ -0.0027846300000000, 0.0006183300000000, 0.0046871300000000 ] - [ 0.0013585000000000, -0.0000220100000000, -0.0044241300000000 ] - [ 0.0016934400000000, 0.0007509900000000, -0.0046503900000000 ] - [ 0.0016236800000000, -0.0003576400000000, -0.0045193300000000 ] - [ 0.0014692800000000, -0.0003833600000000, -0.0046093300000000 ] - [ -0.0020352600000000, -0.0017902500000000, 0.0049175800000000 ] - [ -0.0014968000000000, 0.0007235700000000, 0.0043900700000000 ] - [ 0.0028983900000000, -0.0049585700000000, 0.0012112200000000 ] - [ -0.0001448200000000, -0.0019653200000000, 0.0002349800000000 ] - [ -0.0014712900000000, -0.0043405700000000, -0.0008455700000000 ] - [ -0.0010399100000000, -0.0029590000000000, -0.0007136100000000 ] - [ -0.0013150100000000, 0.0041727900000000, -0.0008133400000000 ] - [ -0.0012219900000000, 0.0031246600000000, -0.0007425800000000 ] - [ 0.0017202900000000, 0.0021814700000000, 0.0008122100000000 ] - [ 0.0004750700000000, 0.0048155000000000, 0.0007243400000000 ] - [ 0.0016338800000000, -0.0014435600000000, -0.0047919700000000 ] - [ 0.0018916100000000, 0.0017276900000000, -0.0037612800000000 ] - [ -0.0018157100000000, 0.0003795500000000, 0.0039683200000000 ] - [ -0.0020286100000000, 0.0004129900000000, 0.0039520100000000 ] - [ -0.0020230400000000, -0.0008152400000000, 0.0037790200000000 ] - [ -0.0018328600000000, 0.0000056300000000, 0.0040918200000000 ] - [ 0.0020563500000000, -0.0000333700000000, -0.0036310400000000 ] - [ 0.0013417400000000, -0.0004521800000000, -0.0041962800000000 ] - [ 0.0002678900000000, 0.0001375000000000, -0.0004603700000000 ] - [ -0.0003549400000000, 0.0012725200000000, -0.0004887800000000 ] - [ 0.0004851400000000, 0.0009542700000000, 0.0005972300000000 ] - [ -0.0014474400000000, 0.0006755900000000, 0.0000028100000000 ] - [ -0.0010280900000000, -0.0011483300000000, 0.0001363100000000 ] - [ -0.0001342800000000, -0.0004745600000000, 0.0004108500000000 ] - [ 0.0005350400000000, -0.0008802500000000, -0.0003246700000000 ] - [ -0.0008781700000000, -0.0005936500000000, -0.0005768500000000 ] - [ 0.0018125900000000, -0.0006277200000000, 0.0007695400000000 ] - [ -0.0011564600000000, -0.0004109500000000, -0.0005156000000000 ] - [ 0.0019613100000000, 0.0021599200000000, 0.0001027300000000 ] - [ -0.0011701200000000, -0.0010760100000000, 0.0000521800000000 ] - [ 0.0015787000000000, 0.0076707100000000, -0.0005004600000000 ] - [ -0.0006630700000000, -0.0090446800000000, -0.0013600400000000 ] - [ 0.0331513900000000, -0.0739989300000000, 0.0064519300000000 ] - [ -0.0219299000000000, -0.0625221000000000, -0.0077027300000000 ] - [ 0.0061150000000000, 0.0086959700000000, 0.0003604600000000 ] - [ -0.0014873900000000, -0.0135101100000000, 0.0008494100000000 ] - [ 0.0037009400000000, -0.0029729900000000, 0.0001403400000000 ] - [ -0.0109677100000000, 0.0045119800000000, -0.0040571600000000 ] - [ 0.0055721500000000, 0.0262607600000000, -0.0129811700000000 ] - [ -0.0021633300000000, -0.0083035000000000, 0.0009823200000000 ] - [ -0.0036842600000000, -0.0058101500000000, -0.0002192300000000 ] - [ 0.0308074100000000, -0.0132773800000000, -0.0033259200000000 ] - [ -0.0017175300000000, -0.0010052700000000, -0.0013973000000000 ] - [ 0.0006220000000000, -0.0022369300000000, -0.0014024000000000 ] - [ 0.0016691400000000, -0.0003945100000000, 0.0014082900000000 ] - [ 0.0010960000000000, -0.0022726200000000, 0.0013361300000000 ] - [ 0.0005982700000000, 0.0009646000000000, 0.0012316700000000 ] - [ 0.0020203100000000, 0.0017687400000000, 0.0015202700000000 ] - [ -0.0019049000000000, 0.0048738500000000, -0.0012418500000000 ] - [ 0.0000207200000000, -0.0013812400000000, -0.0011584700000000 ] - [ -0.0013578300000000, 0.0008858800000000, -0.0002321000000000 ] - [ 0.0014153300000000, -0.0020288500000000, -0.0005053000000000 ] - [ 0.0000238500000000, 0.0003701100000000, -0.0001873400000000 ] - [ 0.0000498300000000, -0.0003272000000000, 0.0001813100000000 ] - [ -0.0001691900000000, 0.0003846300000000, 0.0001602400000000 ] - [ 0.0003017100000000, -0.0004020200000000, -0.0001325300000000 ] - [ -0.0060656800000000, -0.0012868100000000, -0.0016947200000000 ] - [ 0.0006011900000000, -0.0018145400000000, 0.0010171400000000 ] - [ -0.0189486600000000, 0.1934462300000000, 0.0044877200000000 ] - [ -0.0013729500000000, -0.0272570800000000, 0.0001009600000000 ] - [ 0.0153882700000000, -0.0003431600000000, 0.0041260200000000 ] - [ -0.0120037300000000, -0.0002594500000000, -0.0049046800000000 ] - [ 0.0059633900000000, 0.0058062000000000, 0.0007917900000000 ] - [ -0.0015308900000000, -0.0062318700000000, -0.0015279700000000 ] - [ -0.0045864700000000, -0.0139103400000000, 0.0011244800000000 ] - [ 0.0002965800000000, 0.0135301200000000, -0.0007649900000000 ] - [ -0.0002929800000000, 0.0001619600000000, 0.0009368800000000 ] - [ -0.0003576100000000, 0.0001685300000000, 0.0008664200000000 ] - [ 0.0043104100000000, 0.0060814100000000, -0.0021275200000000 ] - [ 0.0000205600000000, -0.0037083300000000, -0.0002084600000000 ] - [ -0.0022391300000000, -0.0030900000000000, -0.0026143300000000 ] - [ 0.0047971900000000, 0.0022456300000000, 0.0028881400000000 ] - [ -0.0000773200000000, 0.0008098300000000, 0.0009139100000000 ] - [ -0.0006759500000000, -0.0011737000000000, 0.0008719200000000 ]- atom: 129 displacement: [ -0.0030072416887981, 0.0000000000000000, 0.0095371115871188 ] forces: - [ -0.0053144400000000, 0.0032017500000000, -0.0142535400000000 ] - [ -0.0005814700000000, -0.0008962800000000, -0.0006759300000000 ] - [ 0.0001228200000000, -0.0003326300000000, 0.0007215100000000 ] - [ 0.0001933300000000, -0.0004114300000000, 0.0007341600000000 ] - [ 0.0001859000000000, 0.0003937100000000, 0.0007608200000000 ] - [ 0.0002030100000000, 0.0004101200000000, 0.0007501100000000 ] - [ 0.0001333700000000, -0.0000301300000000, -0.0007039000000000 ] - [ -0.0103957500000000, 0.0034091000000000, 0.0063034800000000 ] - [ -0.0003567000000000, 0.0024730600000000, 0.0072448400000000 ] - [ -0.0003460800000000, -0.0009401900000000, 0.0009971500000000 ] - [ 0.0001272600000000, -0.0004539200000000, -0.0009126800000000 ] - [ 0.0001276700000000, -0.0004917900000000, -0.0009257300000000 ] - [ 0.0001379100000000, 0.0004680800000000, -0.0009440300000000 ] - [ 0.0001386700000000, 0.0004529900000000, -0.0009139000000000 ] - [ 0.0000381600000000, 0.0002430500000000, 0.0009707000000000 ] - [ 0.0021387700000000, -0.0037300200000000, -0.0051880600000000 ] - [ -0.0025567700000000, 0.0012961000000000, 0.0059146900000000 ] - [ -0.0016698800000000, 0.0003926400000000, 0.0045635600000000 ] - [ 0.0017629800000000, 0.0002260000000000, -0.0045593700000000 ] - [ -0.0028383900000000, -0.0049426400000000, 0.0080811500000000 ] - [ -0.0083058400000000, 0.0002961100000000, -0.0050466100000000 ] - [ 0.0016613300000000, -0.0006143800000000, -0.0045430600000000 ] - [ -0.0015492200000000, -0.0004229200000000, 0.0044971800000000 ] - [ -0.0012887300000000, -0.0002728200000000, 0.0041135800000000 ] - [ 0.0014250300000000, -0.0037321800000000, 0.0004725400000000 ] - [ 0.0012023900000000, -0.0036592000000000, 0.0007508000000000 ] - [ 0.0015083300000000, -0.0057165900000000, -0.0140198300000000 ] - [ -0.0010536200000000, -0.0035123400000000, -0.0017329700000000 ] - [ -0.0034980900000000, 0.0001475200000000, 0.0067460300000000 ] - [ -0.0021868400000000, 0.0038668100000000, 0.0043283900000000 ] - [ 0.0011325200000000, 0.0035663200000000, 0.0007442600000000 ] - [ 0.0003106400000000, 0.0030589500000000, 0.0006417900000000 ] - [ 0.0018933500000000, 0.0003907000000000, -0.0040283100000000 ] - [ 0.0019363300000000, 0.0004381100000000, -0.0040123800000000 ] - [ -0.0042279200000000, -0.0014853100000000, 0.0005797600000000 ] - [ -0.0018108000000000, 0.0002210900000000, 0.0039261300000000 ] - [ -0.0019095200000000, 0.0004694800000000, 0.0046796100000000 ] - [ -0.0056549900000000, -0.0019882300000000, 0.0209485300000000 ] - [ 0.0014651900000000, -0.0001761300000000, -0.0041728200000000 ] - [ 0.0018287800000000, -0.0003433600000000, -0.0040036800000000 ] - [ 0.0004903200000000, 0.0007052100000000, -0.0003561600000000 ] - [ 0.0019884500000000, 0.0017306600000000, -0.0032465200000000 ] - [ 0.0031435800000000, 0.0011085900000000, -0.0122901500000000 ] - [ -0.0002470500000000, 0.0007205500000000, 0.0002845800000000 ] - [ -0.0008123000000000, -0.0006781300000000, 0.0006886600000000 ] - [ -0.0007092000000000, -0.0002974000000000, 0.0053362400000000 ] - [ 0.0022688400000000, -0.0004343300000000, 0.0078462000000000 ] - [ 0.0001279700000000, -0.0008131000000000, -0.0003941100000000 ] - [ -0.0001825000000000, -0.0003915500000000, -0.0007398900000000 ] - [ -0.0001260800000000, -0.0003850700000000, -0.0007448700000000 ] - [ -0.0063711400000000, 0.0033165700000000, 0.0013099200000000 ] - [ 0.0003922500000000, -0.0008459900000000, 0.0006009200000000 ] - [ -0.0001602900000000, -0.0001094300000000, 0.0009776700000000 ] - [ 0.0084521200000000, 0.0016816900000000, -0.0016200800000000 ] - [ -0.0001729400000000, 0.0004036500000000, -0.0007389000000000 ] - [ -0.0001076700000000, 0.0003664000000000, -0.0007438900000000 ] - [ -0.0001386100000000, -0.0004577800000000, 0.0009174800000000 ] - [ -0.0000991400000000, -0.0004553400000000, 0.0009329000000000 ] - [ -0.0029207700000000, -0.0021079500000000, -0.0055436400000000 ] - [ 0.0002941600000000, -0.0010879100000000, -0.0010354700000000 ] - [ -0.0000972600000000, -0.0004604600000000, -0.0004537300000000 ] - [ 0.0049142100000000, -0.0035143800000000, 0.0022040400000000 ] - [ -0.0001335600000000, 0.0004856700000000, 0.0009286200000000 ] - [ -0.0000958800000000, 0.0004494800000000, 0.0009374300000000 ] - [ -0.0017178300000000, 0.0002652500000000, 0.0045929600000000 ] - [ -0.0012118400000000, 0.0003818700000000, 0.0046224700000000 ] - [ 0.0016641500000000, 0.0004488400000000, -0.0045927500000000 ] - [ 0.0016841200000000, 0.0003854300000000, -0.0045538000000000 ] - [ 0.0016368700000000, -0.0004258900000000, -0.0045722400000000 ] - [ 0.0016919300000000, -0.0004010100000000, -0.0045483500000000 ] - [ -0.0019895200000000, -0.0003023500000000, 0.0044613900000000 ] - [ -0.0016593400000000, -0.0006298800000000, 0.0045845900000000 ] - [ 0.0007251200000000, -0.0036222200000000, 0.0006964200000000 ] - [ 0.0015016700000000, -0.0037499500000000, 0.0009653900000000 ] - [ -0.0011092900000000, -0.0034918200000000, -0.0007351100000000 ] - [ -0.0011576200000000, -0.0036709500000000, -0.0007474600000000 ] - [ -0.0011060500000000, 0.0034989700000000, -0.0007382200000000 ] - [ -0.0011253800000000, 0.0036490900000000, -0.0007454500000000 ] - [ 0.0008466700000000, 0.0036238000000000, 0.0006121000000000 ] - [ 0.0013655200000000, 0.0034443400000000, 0.0007063300000000 ] - [ 0.0017814800000000, 0.0007243000000000, -0.0036249500000000 ] - [ 0.0018393100000000, 0.0000893800000000, -0.0040333200000000 ] - [ -0.0018469800000000, 0.0003395500000000, 0.0040186900000000 ] - [ -0.0017975500000000, 0.0003562700000000, 0.0040336000000000 ] - [ -0.0018288000000000, -0.0003125100000000, 0.0040401800000000 ] - [ -0.0018033600000000, -0.0003713300000000, 0.0040297200000000 ] - [ 0.0018130600000000, -0.0005261700000000, -0.0040597600000000 ] - [ 0.0018472900000000, -0.0001001900000000, -0.0044107800000000 ] - [ -0.0000530100000000, 0.0008639700000000, -0.0003651600000000 ] - [ 0.0003803600000000, 0.0007061100000000, -0.0003492700000000 ] - [ -0.0003062000000000, 0.0007404800000000, 0.0003516600000000 ] - [ -0.0001040500000000, 0.0008348000000000, 0.0004197400000000 ] - [ -0.0001302200000000, -0.0007394800000000, 0.0003979100000000 ] - [ -0.0001188400000000, -0.0008416500000000, 0.0004073200000000 ] - [ 0.0000091300000000, -0.0008340800000000, -0.0004248500000000 ] - [ 0.0004170400000000, -0.0007743800000000, -0.0004213800000000 ] - [ 0.0000389300000000, -0.0005471700000000, -0.0000114400000000 ] - [ -0.0000418300000000, -0.0005075500000000, 0.0000125700000000 ] - [ -0.0000175900000000, 0.0004817800000000, -0.0000124300000000 ] - [ -0.0000599200000000, 0.0005378600000000, -0.0000116500000000 ] - [ 0.0029151000000000, -0.0021588800000000, -0.0026062400000000 ] - [ -0.0009726700000000, -0.0013708700000000, -0.0012932800000000 ] - [ 0.0022096600000000, -0.0029662300000000, 0.0001901200000000 ] - [ 0.0073302900000000, -0.0025156200000000, -0.0327146500000000 ] - [ -0.0200657200000000, 0.0033953800000000, 0.0931988800000000 ] - [ 0.0009431700000000, 0.0016016300000000, 0.0015726200000000 ] - [ -0.0012817100000000, 0.0013555600000000, -0.0012699700000000 ] - [ -0.0023627600000000, 0.0012733400000000, -0.0005069700000000 ] - [ 0.0212392300000000, -0.0010163700000000, 0.0121373600000000 ] - [ 0.0001147300000000, 0.0005912500000000, 0.0000958100000000 ] - [ -0.0002025900000000, 0.0015529200000000, -0.0007723900000000 ] - [ -0.0259384400000000, 0.0169750500000000, 0.0065733700000000 ] - [ -0.0007531700000000, -0.0010720600000000, -0.0012749400000000 ] - [ -0.0015442000000000, -0.0014271800000000, -0.0008845700000000 ] - [ 0.0009552100000000, -0.0014939600000000, 0.0013072200000000 ] - [ 0.0009113700000000, -0.0012815200000000, 0.0012734400000000 ] - [ 0.0010836600000000, 0.0014505800000000, 0.0013097400000000 ] - [ 0.0009032700000000, 0.0012903600000000, 0.0012530700000000 ] - [ -0.0003357000000000, 0.0009802700000000, -0.0015900200000000 ] - [ -0.0012588500000000, 0.0019215200000000, -0.0013334200000000 ] - [ -0.0004398700000000, 0.0005482400000000, 0.0005166800000000 ] - [ -0.0003625400000000, 0.0007403900000000, 0.0001395900000000 ] - [ -0.0000107900000000, -0.0000067700000000, 0.0000004900000000 ] - [ -0.0000062500000000, 0.0000028600000000, -0.0000043700000000 ] - [ 0.0000225900000000, -0.0000016300000000, 0.0000062000000000 ] - [ -0.0000046000000000, 0.0000048100000000, 0.0000016000000000 ] - [ 0.0012420800000000, 0.0027684000000000, -0.0014677200000000 ] - [ 0.0005391700000000, 0.0007122500000000, -0.0003693700000000 ] - [ 0.0585936700000000, -0.0085443400000000, -0.1380848500000000 ] - [ -0.0006681800000000, 0.0006506600000000, 0.0009419700000000 ] - [ 0.0007853900000000, 0.0000890900000000, -0.0010520500000000 ] - [ 0.0008730100000000, 0.0005035100000000, -0.0010223800000000 ] - [ -0.0001524500000000, -0.0001259300000000, -0.0001301800000000 ] - [ 0.0008762000000000, -0.0001730600000000, -0.0006609500000000 ] - [ -0.0010837000000000, 0.0013744800000000, 0.0011912600000000 ] - [ -0.0175417200000000, -0.0023345900000000, 0.0516216400000000 ] - [ -0.0007558500000000, 0.0002336900000000, 0.0007738400000000 ] - [ -0.0010350900000000, 0.0001895300000000, 0.0006861200000000 ] - [ -0.0001706600000000, -0.0021628500000000, 0.0014789500000000 ] - [ 0.0007557300000000, 0.0009664500000000, -0.0008893900000000 ] - [ 0.0011983500000000, 0.0006488500000000, -0.0004454900000000 ] - [ 0.0012994300000000, -0.0024828600000000, -0.0032436500000000 ] - [ -0.0007243000000000, -0.0002744800000000, 0.0007766900000000 ] - [ -0.0010030800000000, -0.0001342800000000, 0.0006842900000000 ]- atom: 129 displacement: [ 0.0030072416887981, 0.0000000000000000, -0.0095371115871188 ] forces: - [ 0.0047501100000000, -0.0039929200000000, 0.0127702100000000 ] - [ 0.0002366500000000, 0.0001100400000000, -0.0008009000000000 ] - [ 0.0002262500000000, -0.0004559200000000, 0.0007535700000000 ] - [ 0.0001521500000000, -0.0003737400000000, 0.0007427100000000 ] - [ 0.0001410200000000, 0.0003832400000000, 0.0007301300000000 ] - [ 0.0001307700000000, 0.0003663000000000, 0.0007386600000000 ] - [ -0.0004586400000000, 0.0008098400000000, -0.0007884700000000 ] - [ 0.0105705300000000, -0.0029382600000000, -0.0078435500000000 ] - [ 0.0002616500000000, -0.0033780500000000, -0.0052342400000000 ] - [ 0.0000951100000000, 0.0000185400000000, 0.0008536400000000 ] - [ 0.0001181200000000, -0.0004511500000000, -0.0009322600000000 ] - [ 0.0001230400000000, -0.0004289200000000, -0.0009258400000000 ] - [ 0.0001137600000000, 0.0004491300000000, -0.0008964900000000 ] - [ 0.0001245100000000, 0.0004705300000000, -0.0009320000000000 ] - [ -0.0002973200000000, 0.0006674300000000, 0.0008538600000000 ] - [ -0.0024084100000000, 0.0046206600000000, 0.0069637900000000 ] - [ -0.0008450300000000, -0.0004242400000000, 0.0032929200000000 ] - [ -0.0016493700000000, 0.0004294000000000, 0.0045700600000000 ] - [ 0.0015763300000000, 0.0006781300000000, -0.0046382600000000 ] - [ 0.0062010000000000, 0.0055293500000000, -0.0175129700000000 ] - [ 0.0102630400000000, -0.0008111400000000, -0.0022257100000000 ] - [ 0.0016512700000000, -0.0001970000000000, -0.0045684600000000 ] - [ -0.0017512800000000, -0.0004051700000000, 0.0046131700000000 ] - [ -0.0019990200000000, -0.0005332700000000, 0.0049915800000000 ] - [ 0.0008669500000000, -0.0034315400000000, 0.0010191900000000 ] - [ 0.0010673700000000, -0.0035023500000000, 0.0007390800000000 ] - [ -0.0038010700000000, -0.0017836200000000, 0.0125103300000000 ] - [ -0.0012028100000000, -0.0035778900000000, 0.0002519300000000 ] - [ 0.0011818800000000, 0.0070778900000000, -0.0082207900000000 ] - [ -0.0000633000000000, 0.0032778400000000, -0.0058212900000000 ] - [ 0.0011328900000000, 0.0036127800000000, 0.0007447900000000 ] - [ 0.0018664500000000, 0.0040423200000000, 0.0008334000000000 ] - [ 0.0017660500000000, 0.0003017100000000, -0.0039959400000000 ] - [ 0.0017357400000000, 0.0002764200000000, -0.0040038800000000 ] - [ 0.0010022400000000, 0.0025209200000000, 0.0052491700000000 ] - [ -0.0018396300000000, 0.0004819200000000, 0.0041011500000000 ] - [ -0.0017652600000000, -0.0010796100000000, 0.0034391700000000 ] - [ 0.0019063400000000, 0.0009394400000000, -0.0126504100000000 ] - [ 0.0021475300000000, -0.0004746700000000, -0.0039461900000000 ] - [ 0.0018299500000000, -0.0003549100000000, -0.0040443300000000 ] - [ -0.0001107800000000, 0.0008645600000000, -0.0004190300000000 ] - [ -0.0015353300000000, -0.0000998800000000, 0.0024868300000000 ] - [ -0.0032183900000000, 0.0003846400000000, 0.0131578500000000 ] - [ -0.0001004300000000, 0.0008654000000000, 0.0004978100000000 ] - [ 0.0003489800000000, -0.0008513100000000, 0.0000761800000000 ] - [ 0.0003504300000000, -0.0012867100000000, -0.0045591700000000 ] - [ -0.0019284500000000, -0.0011373900000000, -0.0085534900000000 ] - [ 0.0002277500000000, -0.0007602100000000, -0.0003862900000000 ] - [ -0.0001528900000000, -0.0003862700000000, -0.0007467300000000 ] - [ -0.0002101000000000, -0.0003961400000000, -0.0007432500000000 ] - [ 0.0066653800000000, -0.0041183800000000, 0.0002097100000000 ] - [ -0.0000627600000000, 0.0000671800000000, 0.0008849500000000 ] - [ 0.0004943500000000, 0.0008879400000000, 0.0004999600000000 ] - [ -0.0080782900000000, -0.0008990000000000, 0.0030812100000000 ] - [ -0.0001670500000000, 0.0003786000000000, -0.0007387100000000 ] - [ -0.0002294500000000, 0.0004169500000000, -0.0007381300000000 ] - [ -0.0001234200000000, -0.0004650200000000, 0.0009282300000000 ] - [ -0.0001457500000000, -0.0004628500000000, 0.0009151400000000 ] - [ 0.0031463700000000, 0.0011661100000000, 0.0037254100000000 ] - [ -0.0000426900000000, 0.0001756200000000, -0.0008052500000000 ] - [ 0.0003532400000000, 0.0013770300000000, -0.0013997700000000 ] - [ -0.0046381000000000, 0.0044054200000000, -0.0040407800000000 ] - [ -0.0001193500000000, 0.0004312900000000, 0.0009210700000000 ] - [ -0.0001502100000000, 0.0004563000000000, 0.0009048300000000 ] - [ -0.0015985700000000, 0.0005520700000000, 0.0045338100000000 ] - [ -0.0021049200000000, 0.0004387700000000, 0.0045058800000000 ] - [ 0.0016515900000000, 0.0003734700000000, -0.0045337500000000 ] - [ 0.0016318300000000, 0.0004342600000000, -0.0045733200000000 ] - [ 0.0016793600000000, -0.0003930600000000, -0.0045570500000000 ] - [ 0.0016269700000000, -0.0004204400000000, -0.0045815700000000 ] - [ -0.0013297000000000, -0.0005165200000000, 0.0046675100000000 ] - [ -0.0016592500000000, -0.0001936400000000, 0.0045433000000000 ] - [ 0.0015466900000000, -0.0035364000000000, 0.0007942400000000 ] - [ 0.0007619600000000, -0.0034181700000000, 0.0005239500000000 ] - [ -0.0011580500000000, -0.0036723900000000, -0.0007539700000000 ] - [ -0.0011100900000000, -0.0034976700000000, -0.0007420400000000 ] - [ -0.0011591200000000, 0.0036614000000000, -0.0007507400000000 ] - [ -0.0011369400000000, 0.0035134700000000, -0.0007426200000000 ] - [ 0.0014123100000000, 0.0035462000000000, 0.0008742700000000 ] - [ 0.0009001000000000, 0.0037148600000000, 0.0007811700000000 ] - [ 0.0018769000000000, -0.0000226500000000, -0.0044183100000000 ] - [ 0.0018166100000000, 0.0006067100000000, -0.0040106300000000 ] - [ -0.0018119000000000, 0.0003610900000000, 0.0040242900000000 ] - [ -0.0018590100000000, 0.0003409100000000, 0.0040129800000000 ] - [ -0.0018282800000000, -0.0003859100000000, 0.0040009700000000 ] - [ -0.0018549100000000, -0.0003285500000000, 0.0040122300000000 ] - [ 0.0018425100000000, -0.0001752300000000, -0.0039832200000000 ] - [ 0.0018092900000000, -0.0005986300000000, -0.0036333300000000 ] - [ 0.0004090400000000, 0.0007166100000000, -0.0004160100000000 ] - [ -0.0000272300000000, 0.0008714200000000, -0.0004325900000000 ] - [ -0.0000546300000000, 0.0008389600000000, 0.0004277500000000 ] - [ -0.0002542100000000, 0.0007443300000000, 0.0003607800000000 ] - [ -0.0002275900000000, -0.0008383100000000, 0.0003829200000000 ] - [ -0.0002414800000000, -0.0007393200000000, 0.0003725700000000 ] - [ 0.0003415400000000, -0.0007459000000000, -0.0003572500000000 ] - [ -0.0000570800000000, -0.0008062100000000, -0.0003588900000000 ] - [ -0.0000446900000000, -0.0004920700000000, 0.0000132400000000 ] - [ 0.0000419700000000, -0.0005270000000000, -0.0000056900000000 ] - [ 0.0000194400000000, 0.0005637400000000, 0.0000030300000000 ] - [ 0.0000648100000000, 0.0005041700000000, 0.0000114800000000 ] - [ -0.0045139300000000, -0.0006845000000000, 0.0000732000000000 ] - [ -0.0009899300000000, -0.0013936400000000, -0.0012902400000000 ] - [ -0.0000865900000000, -0.0001412700000000, 0.0024182100000000 ] - [ -0.0053544300000000, -0.0001012000000000, 0.0353279300000000 ] - [ 0.0216012600000000, 0.0000194900000000, -0.0906868300000000 ] - [ 0.0010072700000000, 0.0011274400000000, 0.0010089800000000 ] - [ -0.0007069300000000, 0.0014063400000000, -0.0013174100000000 ] - [ 0.0002908200000000, 0.0014398600000000, -0.0020901900000000 ] - [ -0.0209897700000000, 0.0001695700000000, -0.0123001900000000 ] - [ -0.0001082800000000, -0.0016329000000000, -0.0001002000000000 ] - [ 0.0001974300000000, -0.0005020400000000, 0.0008087000000000 ] - [ 0.0259207500000000, -0.0159064000000000, -0.0064930200000000 ] - [ -0.0012075700000000, -0.0016804400000000, -0.0013065500000000 ] - [ -0.0004187800000000, -0.0013276300000000, -0.0016968000000000 ] - [ 0.0010104500000000, -0.0012585300000000, 0.0012766400000000 ] - [ 0.0010547500000000, -0.0014708800000000, 0.0013104500000000 ] - [ 0.0008855100000000, 0.0013035700000000, 0.0012748700000000 ] - [ 0.0010605700000000, 0.0014685100000000, 0.0013293700000000 ] - [ -0.0016288400000000, 0.0017769900000000, -0.0009960700000000 ] - [ -0.0007029800000000, 0.0008389600000000, -0.0012492600000000 ] - [ 0.0004538500000000, -0.0005478500000000, -0.0005099400000000 ] - [ 0.0003633700000000, -0.0007401300000000, -0.0001415100000000 ] - [ 0.0000083000000000, 0.0000069600000000, 0.0000005400000000 ] - [ 0.0000066000000000, -0.0000032500000000, 0.0000031600000000 ] - [ -0.0000193500000000, 0.0000022700000000, -0.0000059500000000 ] - [ 0.0000053300000000, -0.0000058300000000, -0.0000007500000000 ] - [ -0.0012742400000000, -0.0027902500000000, 0.0014687800000000 ] - [ -0.0005372800000000, -0.0007070500000000, 0.0003673200000000 ] - [ -0.0599346200000000, 0.0092932900000000, 0.1397996300000000 ] - [ -0.0010389500000000, -0.0002581500000000, 0.0005297400000000 ] - [ 0.0009583900000000, 0.0002986800000000, -0.0004126000000000 ] - [ 0.0008263100000000, -0.0000410900000000, -0.0004534000000000 ] - [ 0.0016843500000000, -0.0002734400000000, -0.0014049200000000 ] - [ 0.0008089300000000, -0.0002452600000000, -0.0008217500000000 ] - [ -0.0006167000000000, -0.0016134700000000, 0.0002906000000000 ] - [ 0.0158830600000000, 0.0012180700000000, -0.0501368600000000 ] - [ -0.0009365800000000, 0.0001764200000000, 0.0007062300000000 ] - [ -0.0006620100000000, 0.0002270600000000, 0.0007930300000000 ] - [ 0.0018759800000000, 0.0025644100000000, -0.0029428300000000 ] - [ 0.0009454400000000, -0.0005479500000000, -0.0005860100000000 ] - [ 0.0004946300000000, -0.0010692100000000, -0.0010340400000000 ] - [ 0.0004005000000000, 0.0020646500000000, 0.0017603100000000 ] - [ -0.0009683600000000, -0.0001399200000000, 0.0007015200000000 ] - [ -0.0006936000000000, -0.0002779600000000, 0.0007936300000000 ]