# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/0c0ff30c-1852-44f7-adbc-e23890e2451e/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 KU2P3O14 / Pbcn (60) / materials id 606691](https://mdr.nims.go.jp/datasets/791f3dfe-51f1-4191-b218-3933981091eb) ## 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: "Pbcn" number: 60 Hall_symbol: "-P 2n 2ab"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 11.028756440000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.351612480000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.160974930000000 ] # c points: - symbol: K # 1 coordinates: [ 0.000000000000000, 0.396162660000000, 0.750000000000000 ] mass: 39.098300 - symbol: K # 2 coordinates: [ 0.500000000000000, 0.103837340000000, 0.250000000000000 ] mass: 39.098300 - symbol: K # 3 coordinates: [ 0.500000000000000, 0.896162660000000, 0.750000000000000 ] mass: 39.098300 - symbol: K # 4 coordinates: [ 0.000000000000000, 0.603837340000000, 0.250000000000000 ] mass: 39.098300 - symbol: U # 5 coordinates: [ 0.803770910000000, 0.678434550000000, 0.897799460000000 ] mass: 238.028910 - symbol: U # 6 coordinates: [ 0.303770910000000, 0.178434550000000, 0.602200540000000 ] mass: 238.028910 - symbol: U # 7 coordinates: [ 0.696229090000000, 0.821565450000000, 0.397799460000000 ] mass: 238.028910 - symbol: U # 8 coordinates: [ 0.696229090000000, 0.178434550000000, 0.897799460000000 ] mass: 238.028910 - symbol: U # 9 coordinates: [ 0.196229090000000, 0.321565450000000, 0.102200540000000 ] mass: 238.028910 - symbol: U # 10 coordinates: [ 0.803770910000000, 0.321565450000000, 0.397799460000000 ] mass: 238.028910 - symbol: U # 11 coordinates: [ 0.303770910000000, 0.821565450000000, 0.102200540000000 ] mass: 238.028910 - symbol: U # 12 coordinates: [ 0.196229090000000, 0.678434550000000, 0.602200540000000 ] mass: 238.028910 - symbol: P # 13 coordinates: [ 0.500000000000000, 0.578126270000000, 0.250000000000000 ] mass: 30.973762 - symbol: P # 14 coordinates: [ 0.683431380000000, 0.431277180000000, 0.113532150000000 ] mass: 30.973762 - symbol: P # 15 coordinates: [ 0.683431380000000, 0.568722820000000, 0.613532150000000 ] mass: 30.973762 - symbol: P # 16 coordinates: [ 0.183431380000000, 0.068722820000000, 0.886467850000000 ] mass: 30.973762 - symbol: P # 17 coordinates: [ 0.816568620000000, 0.931277180000000, 0.113532150000000 ] mass: 30.973762 - symbol: P # 18 coordinates: [ 0.000000000000000, 0.921873730000000, 0.750000000000000 ] mass: 30.973762 - symbol: P # 19 coordinates: [ 0.816568620000000, 0.068722820000000, 0.613532150000000 ] mass: 30.973762 - symbol: P # 20 coordinates: [ 0.316568620000000, 0.568722820000000, 0.886467850000000 ] mass: 30.973762 - symbol: P # 21 coordinates: [ 0.500000000000000, 0.421873730000000, 0.750000000000000 ] mass: 30.973762 - symbol: P # 22 coordinates: [ 0.000000000000000, 0.078126270000000, 0.250000000000000 ] mass: 30.973762 - symbol: P # 23 coordinates: [ 0.183431380000000, 0.931277180000000, 0.386467850000000 ] mass: 30.973762 - symbol: P # 24 coordinates: [ 0.316568620000000, 0.431277180000000, 0.386467850000000 ] mass: 30.973762 - symbol: O # 25 coordinates: [ 0.763891930000000, 0.432282400000000, 0.224963250000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.658682770000000, 0.757798100000000, 0.882082100000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.951012990000000, 0.982587950000000, 0.150253400000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.550815600000000, 0.098875920000000, 0.904481730000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.157733720000000, 0.204325790000000, 0.933437520000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.236108070000000, 0.567717600000000, 0.775036750000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.158682770000000, 0.742201900000000, 0.117917900000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.895567790000000, 0.846890910000000, 0.801685500000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.341317230000000, 0.757798100000000, 0.617917900000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.657733720000000, 0.704325790000000, 0.566562480000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.548987010000000, 0.482587950000000, 0.150253400000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.050815600000000, 0.401124080000000, 0.095518270000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.271665570000000, 0.524457250000000, 0.481502960000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.736108070000000, 0.932282400000000, 0.224963250000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.157733720000000, 0.795674210000000, 0.433437520000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.951012990000000, 0.017412050000000, 0.650253400000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.236108070000000, 0.432282400000000, 0.275036750000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.228334430000000, 0.975542750000000, 0.981502960000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.395567790000000, 0.346890910000000, 0.698314500000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.104432210000000, 0.846890910000000, 0.698314500000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.050815600000000, 0.598875920000000, 0.595518270000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.451012990000000, 0.482587950000000, 0.349746600000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.771665570000000, 0.024457250000000, 0.018497040000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.341317230000000, 0.242201900000000, 0.117917900000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.449184400000000, 0.098875920000000, 0.595518270000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.658682770000000, 0.242201900000000, 0.382082100000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.736108070000000, 0.067717600000000, 0.724963250000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.771665570000000, 0.975542750000000, 0.518497040000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.895567790000000, 0.153109090000000, 0.301685500000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.263891930000000, 0.932282400000000, 0.275036750000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.657733720000000, 0.295674210000000, 0.066562480000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.158682770000000, 0.257798100000000, 0.617917900000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.451012990000000, 0.517412050000000, 0.849746600000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.550815600000000, 0.901124080000000, 0.404481730000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.763891930000000, 0.567717600000000, 0.724963250000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.949184400000000, 0.401124080000000, 0.404481730000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.342266280000000, 0.295674210000000, 0.433437520000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.728334430000000, 0.524457250000000, 0.018497040000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.604432210000000, 0.346890910000000, 0.801685500000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.604432210000000, 0.653109090000000, 0.301685500000000 ] mass: 15.999400 - symbol: O # 65 coordinates: [ 0.048987010000000, 0.017412050000000, 0.849746600000000 ] mass: 15.999400 - symbol: O # 66 coordinates: [ 0.728334430000000, 0.475542750000000, 0.518497040000000 ] mass: 15.999400 - symbol: O # 67 coordinates: [ 0.842266280000000, 0.795674210000000, 0.066562480000000 ] mass: 15.999400 - symbol: O # 68 coordinates: [ 0.449184400000000, 0.901124080000000, 0.095518270000000 ] mass: 15.999400 - symbol: O # 69 coordinates: [ 0.228334430000000, 0.024457250000000, 0.481502960000000 ] mass: 15.999400 - symbol: O # 70 coordinates: [ 0.271665570000000, 0.475542750000000, 0.981502960000000 ] mass: 15.999400 - symbol: O # 71 coordinates: [ 0.395567790000000, 0.653109090000000, 0.198314500000000 ] mass: 15.999400 - symbol: O # 72 coordinates: [ 0.104432210000000, 0.153109090000000, 0.198314500000000 ] mass: 15.999400 - symbol: O # 73 coordinates: [ 0.263891930000000, 0.067717600000000, 0.775036750000000 ] mass: 15.999400 - symbol: O # 74 coordinates: [ 0.841317230000000, 0.257798100000000, 0.882082100000000 ] mass: 15.999400 - symbol: O # 75 coordinates: [ 0.342266280000000, 0.704325790000000, 0.933437520000000 ] mass: 15.999400 - symbol: O # 76 coordinates: [ 0.548987010000000, 0.517412050000000, 0.650253400000000 ] mass: 15.999400 - symbol: O # 77 coordinates: [ 0.949184400000000, 0.598875920000000, 0.904481730000000 ] mass: 15.999400 - symbol: O # 78 coordinates: [ 0.841317230000000, 0.742201900000000, 0.382082100000000 ] mass: 15.999400 - symbol: O # 79 coordinates: [ 0.048987010000000, 0.982587950000000, 0.349746600000000 ] mass: 15.999400 - symbol: O # 80 coordinates: [ 0.842266280000000, 0.204325790000000, 0.566562480000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.090672054047102, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.096603307159350, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.089597907554838 ] # c*unit_cell: lattice: - [ 11.028756440000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.351612480000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.160974930000000 ] # c points: - symbol: K # 1 coordinates: [ 0.000000000000000, 0.396162660000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.500000000000000, 0.103837340000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.500000000000000, 0.896162660000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.000000000000000, 0.603837340000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 4 - symbol: U # 5 coordinates: [ 0.803770910000000, 0.678434550000000, 0.897799460000000 ] mass: 238.028910 reduced_to: 5 - symbol: U # 6 coordinates: [ 0.303770910000000, 0.178434550000000, 0.602200540000000 ] mass: 238.028910 reduced_to: 6 - symbol: U # 7 coordinates: [ 0.696229090000000, 0.821565450000000, 0.397799460000000 ] mass: 238.028910 reduced_to: 7 - symbol: U # 8 coordinates: [ 0.696229090000000, 0.178434550000000, 0.897799460000000 ] mass: 238.028910 reduced_to: 8 - symbol: U # 9 coordinates: [ 0.196229090000000, 0.321565450000000, 0.102200540000000 ] mass: 238.028910 reduced_to: 9 - symbol: U # 10 coordinates: [ 0.803770910000000, 0.321565450000000, 0.397799460000000 ] mass: 238.028910 reduced_to: 10 - symbol: U # 11 coordinates: [ 0.303770910000000, 0.821565450000000, 0.102200540000000 ] mass: 238.028910 reduced_to: 11 - symbol: U # 12 coordinates: [ 0.196229090000000, 0.678434550000000, 0.602200540000000 ] mass: 238.028910 reduced_to: 12 - symbol: P # 13 coordinates: [ 0.500000000000000, 0.578126270000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 13 - symbol: P # 14 coordinates: [ 0.683431380000000, 0.431277180000000, 0.113532150000000 ] mass: 30.973762 reduced_to: 14 - symbol: P # 15 coordinates: [ 0.683431380000000, 0.568722820000000, 0.613532150000000 ] mass: 30.973762 reduced_to: 15 - symbol: P # 16 coordinates: [ 0.183431380000000, 0.068722820000000, 0.886467850000000 ] mass: 30.973762 reduced_to: 16 - symbol: P # 17 coordinates: [ 0.816568620000000, 0.931277180000000, 0.113532150000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.000000000000000, 0.921873730000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 19 coordinates: [ 0.816568620000000, 0.068722820000000, 0.613532150000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.316568620000000, 0.568722820000000, 0.886467850000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 21 coordinates: [ 0.500000000000000, 0.421873730000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 22 coordinates: [ 0.000000000000000, 0.078126270000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 23 coordinates: [ 0.183431380000000, 0.931277180000000, 0.386467850000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 24 coordinates: [ 0.316568620000000, 0.431277180000000, 0.386467850000000 ] mass: 30.973762 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.763891930000000, 0.432282400000000, 0.224963250000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.658682770000000, 0.757798100000000, 0.882082100000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.951012990000000, 0.982587950000000, 0.150253400000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.550815600000000, 0.098875920000000, 0.904481730000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.157733720000000, 0.204325790000000, 0.933437520000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.236108070000000, 0.567717600000000, 0.775036750000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.158682770000000, 0.742201900000000, 0.117917900000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.895567790000000, 0.846890910000000, 0.801685500000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.341317230000000, 0.757798100000000, 0.617917900000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.657733720000000, 0.704325790000000, 0.566562480000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.548987010000000, 0.482587950000000, 0.150253400000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.050815600000000, 0.401124080000000, 0.095518270000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.271665570000000, 0.524457250000000, 0.481502960000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.736108070000000, 0.932282400000000, 0.224963250000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.157733720000000, 0.795674210000000, 0.433437520000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.951012990000000, 0.017412050000000, 0.650253400000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.236108070000000, 0.432282400000000, 0.275036750000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.228334430000000, 0.975542750000000, 0.981502960000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.395567790000000, 0.346890910000000, 0.698314500000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.104432210000000, 0.846890910000000, 0.698314500000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.050815600000000, 0.598875920000000, 0.595518270000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.451012990000000, 0.482587950000000, 0.349746600000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.771665570000000, 0.024457250000000, 0.018497040000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.341317230000000, 0.242201900000000, 0.117917900000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.449184400000000, 0.098875920000000, 0.595518270000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.658682770000000, 0.242201900000000, 0.382082100000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.736108070000000, 0.067717600000000, 0.724963250000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.771665570000000, 0.975542750000000, 0.518497040000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.895567790000000, 0.153109090000000, 0.301685500000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.263891930000000, 0.932282400000000, 0.275036750000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.657733720000000, 0.295674210000000, 0.066562480000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.158682770000000, 0.257798100000000, 0.617917900000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.451012990000000, 0.517412050000000, 0.849746600000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.550815600000000, 0.901124080000000, 0.404481730000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.763891930000000, 0.567717600000000, 0.724963250000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.949184400000000, 0.401124080000000, 0.404481730000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.342266280000000, 0.295674210000000, 0.433437520000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.728334430000000, 0.524457250000000, 0.018497040000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.604432210000000, 0.346890910000000, 0.801685500000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.604432210000000, 0.653109090000000, 0.301685500000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.048987010000000, 0.017412050000000, 0.849746600000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.728334430000000, 0.475542750000000, 0.518497040000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.842266280000000, 0.795674210000000, 0.066562480000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.449184400000000, 0.901124080000000, 0.095518270000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.228334430000000, 0.024457250000000, 0.481502960000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.271665570000000, 0.475542750000000, 0.981502960000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.395567790000000, 0.653109090000000, 0.198314500000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.104432210000000, 0.153109090000000, 0.198314500000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.263891930000000, 0.067717600000000, 0.775036750000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.841317230000000, 0.257798100000000, 0.882082100000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.342266280000000, 0.704325790000000, 0.933437520000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.548987010000000, 0.517412050000000, 0.650253400000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.949184400000000, 0.598875920000000, 0.904481730000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.841317230000000, 0.742201900000000, 0.382082100000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.048987010000000, 0.982587950000000, 0.349746600000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.842266280000000, 0.204325790000000, 0.566562480000000 ] mass: 15.999400 reduced_to: 80supercell: lattice: - [ 11.028756440000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.351612480000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 11.160974930000000 ] # c points: - symbol: K # 1 coordinates: [ 0.000000000000000, 0.396162660000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.500000000000000, 0.103837340000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.500000000000000, 0.896162660000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.000000000000000, 0.603837340000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 4 - symbol: U # 5 coordinates: [ 0.803770910000000, 0.678434550000000, 0.897799460000000 ] mass: 238.028910 reduced_to: 5 - symbol: U # 6 coordinates: [ 0.303770910000000, 0.178434550000000, 0.602200540000000 ] mass: 238.028910 reduced_to: 6 - symbol: U # 7 coordinates: [ 0.696229090000000, 0.821565450000000, 0.397799460000000 ] mass: 238.028910 reduced_to: 7 - symbol: U # 8 coordinates: [ 0.696229090000000, 0.178434550000000, 0.897799460000000 ] mass: 238.028910 reduced_to: 8 - symbol: U # 9 coordinates: [ 0.196229090000000, 0.321565450000000, 0.102200540000000 ] mass: 238.028910 reduced_to: 9 - symbol: U # 10 coordinates: [ 0.803770910000000, 0.321565450000000, 0.397799460000000 ] mass: 238.028910 reduced_to: 10 - symbol: U # 11 coordinates: [ 0.303770910000000, 0.821565450000000, 0.102200540000000 ] mass: 238.028910 reduced_to: 11 - symbol: U # 12 coordinates: [ 0.196229090000000, 0.678434550000000, 0.602200540000000 ] mass: 238.028910 reduced_to: 12 - symbol: P # 13 coordinates: [ 0.500000000000000, 0.578126270000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 13 - symbol: P # 14 coordinates: [ 0.683431380000000, 0.431277180000000, 0.113532150000000 ] mass: 30.973762 reduced_to: 14 - symbol: P # 15 coordinates: [ 0.683431380000000, 0.568722820000000, 0.613532150000000 ] mass: 30.973762 reduced_to: 15 - symbol: P # 16 coordinates: [ 0.183431380000000, 0.068722820000000, 0.886467850000000 ] mass: 30.973762 reduced_to: 16 - symbol: P # 17 coordinates: [ 0.816568620000000, 0.931277180000000, 0.113532150000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.000000000000000, 0.921873730000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 19 coordinates: [ 0.816568620000000, 0.068722820000000, 0.613532150000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.316568620000000, 0.568722820000000, 0.886467850000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 21 coordinates: [ 0.500000000000000, 0.421873730000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 22 coordinates: [ 0.000000000000000, 0.078126270000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 23 coordinates: [ 0.183431380000000, 0.931277180000000, 0.386467850000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 24 coordinates: [ 0.316568620000000, 0.431277180000000, 0.386467850000000 ] mass: 30.973762 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.763891930000000, 0.432282400000000, 0.224963250000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.658682770000000, 0.757798100000000, 0.882082100000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.951012990000000, 0.982587950000000, 0.150253400000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.550815600000000, 0.098875920000000, 0.904481730000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.157733720000000, 0.204325790000000, 0.933437520000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.236108070000000, 0.567717600000000, 0.775036750000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.158682770000000, 0.742201900000000, 0.117917900000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.895567790000000, 0.846890910000000, 0.801685500000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.341317230000000, 0.757798100000000, 0.617917900000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.657733720000000, 0.704325790000000, 0.566562480000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.548987010000000, 0.482587950000000, 0.150253400000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.050815600000000, 0.401124080000000, 0.095518270000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.271665570000000, 0.524457250000000, 0.481502960000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.736108070000000, 0.932282400000000, 0.224963250000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.157733720000000, 0.795674210000000, 0.433437520000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.951012990000000, 0.017412050000000, 0.650253400000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.236108070000000, 0.432282400000000, 0.275036750000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.228334430000000, 0.975542750000000, 0.981502960000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.395567790000000, 0.346890910000000, 0.698314500000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.104432210000000, 0.846890910000000, 0.698314500000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.050815600000000, 0.598875920000000, 0.595518270000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.451012990000000, 0.482587950000000, 0.349746600000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.771665570000000, 0.024457250000000, 0.018497040000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.341317230000000, 0.242201900000000, 0.117917900000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.449184400000000, 0.098875920000000, 0.595518270000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.658682770000000, 0.242201900000000, 0.382082100000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.736108070000000, 0.067717600000000, 0.724963250000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.771665570000000, 0.975542750000000, 0.518497040000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.895567790000000, 0.153109090000000, 0.301685500000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.263891930000000, 0.932282400000000, 0.275036750000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.657733720000000, 0.295674210000000, 0.066562480000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.158682770000000, 0.257798100000000, 0.617917900000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.451012990000000, 0.517412050000000, 0.849746600000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.550815600000000, 0.901124080000000, 0.404481730000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.763891930000000, 0.567717600000000, 0.724963250000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.949184400000000, 0.401124080000000, 0.404481730000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.342266280000000, 0.295674210000000, 0.433437520000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.728334430000000, 0.524457250000000, 0.018497040000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.604432210000000, 0.346890910000000, 0.801685500000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.604432210000000, 0.653109090000000, 0.301685500000000 ] mass: 15.999400 reduced_to: 64 - symbol: O # 65 coordinates: [ 0.048987010000000, 0.017412050000000, 0.849746600000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.728334430000000, 0.475542750000000, 0.518497040000000 ] mass: 15.999400 reduced_to: 66 - symbol: O # 67 coordinates: [ 0.842266280000000, 0.795674210000000, 0.066562480000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.449184400000000, 0.901124080000000, 0.095518270000000 ] mass: 15.999400 reduced_to: 68 - symbol: O # 69 coordinates: [ 0.228334430000000, 0.024457250000000, 0.481502960000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.271665570000000, 0.475542750000000, 0.981502960000000 ] mass: 15.999400 reduced_to: 70 - symbol: O # 71 coordinates: [ 0.395567790000000, 0.653109090000000, 0.198314500000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.104432210000000, 0.153109090000000, 0.198314500000000 ] mass: 15.999400 reduced_to: 72 - symbol: O # 73 coordinates: [ 0.263891930000000, 0.067717600000000, 0.775036750000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.841317230000000, 0.257798100000000, 0.882082100000000 ] mass: 15.999400 reduced_to: 74 - symbol: O # 75 coordinates: [ 0.342266280000000, 0.704325790000000, 0.933437520000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.548987010000000, 0.517412050000000, 0.650253400000000 ] mass: 15.999400 reduced_to: 76 - symbol: O # 77 coordinates: [ 0.949184400000000, 0.598875920000000, 0.904481730000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.841317230000000, 0.742201900000000, 0.382082100000000 ] mass: 15.999400 reduced_to: 78 - symbol: O # 79 coordinates: [ 0.048987010000000, 0.982587950000000, 0.349746600000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.842266280000000, 0.204325790000000, 0.566562480000000 ] mass: 15.999400 reduced_to: 80displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0162835900000000, -0.0000862500000000, 0.0129452400000000 ] - [ 0.0005643800000000, 0.0002146500000000, -0.0000808900000000 ] - [ 0.0008815300000000, -0.0002174200000000, 0.0003028400000000 ] - [ -0.0005930000000000, 0.0002153400000000, -0.0000453700000000 ] - [ 0.0016549300000000, -0.0054250600000000, -0.0037993000000000 ] - [ 0.0078693700000000, -0.0041590600000000, -0.0013755300000000 ] - [ 0.0007034700000000, -0.0003133100000000, 0.0003668900000000 ] - [ 0.0076783600000000, 0.0044783900000000, -0.0024903100000000 ] - [ -0.0005786100000000, -0.0008930200000000, 0.0038232700000000 ] - [ -0.0003685300000000, 0.0005502100000000, 0.0026700600000000 ] - [ 0.0008788200000000, -0.0000408400000000, 0.0015122200000000 ] - [ 0.0014152700000000, 0.0057840600000000, -0.0026723200000000 ] - [ 0.0021226500000000, 0.0001659300000000, -0.0006412600000000 ] - [ 0.0016928700000000, -0.0005525300000000, -0.0016671000000000 ] - [ 0.0054620000000000, -0.0012981300000000, 0.0034783800000000 ] - [ -0.0009311300000000, -0.0032028600000000, 0.0005159300000000 ] - [ -0.0011723200000000, -0.0001945500000000, -0.0013667900000000 ] - [ -0.0038252200000000, -0.0001758400000000, -0.0002219900000000 ] - [ -0.0012065700000000, 0.0034280200000000, 0.0005957400000000 ] - [ 0.0051758300000000, 0.0015574100000000, 0.0033969900000000 ] - [ 0.0064532300000000, -0.0001522000000000, 0.0000002000000000 ] - [ -0.0024205300000000, 0.0001658900000000, -0.0002830900000000 ] - [ -0.0008861900000000, -0.0000597900000000, -0.0014526600000000 ] - [ 0.0013993700000000, 0.0003317100000000, -0.0017546900000000 ] - [ -0.0006881100000000, 0.0001255400000000, -0.0003440300000000 ] - [ -0.0008614600000000, 0.0011141300000000, -0.0000165300000000 ] - [ 0.0012307700000000, 0.0001808900000000, -0.0000021700000000 ] - [ -0.0011265600000000, -0.0018596500000000, 0.0001722200000000 ] - [ -0.0000363200000000, 0.0010020100000000, -0.0012204000000000 ] - [ -0.0014587700000000, -0.0020098300000000, -0.0002511700000000 ] - [ 0.0004555200000000, -0.0005171800000000, -0.0000331400000000 ] - [ 0.0019820300000000, 0.0014421900000000, -0.0008457200000000 ] - [ -0.0010630600000000, 0.0000611300000000, 0.0001056700000000 ] - [ -0.0008288800000000, 0.0008596700000000, -0.0016109600000000 ] - [ -0.0014536900000000, 0.0003208000000000, 0.0001483700000000 ] - [ 0.0019146200000000, 0.0005912500000000, -0.0006089800000000 ] - [ -0.0007266800000000, 0.0000264500000000, 0.0010367900000000 ] - [ 0.0006040200000000, -0.0000019700000000, -0.0002012200000000 ] - [ 0.0002847000000000, -0.0000498300000000, 0.0009878600000000 ] - [ 0.0018035900000000, -0.0006574700000000, -0.0000560800000000 ] - [ 0.0006238800000000, -0.0001102500000000, 0.0008750100000000 ] - [ -0.0001158800000000, 0.0011584300000000, -0.0006697300000000 ] - [ -0.0026048700000000, -0.0008387000000000, -0.0006025500000000 ] - [ 0.0012077000000000, -0.0007031200000000, -0.0003997500000000 ] - [ 0.0016166000000000, -0.0009018900000000, -0.0005483900000000 ] - [ -0.0011686100000000, -0.0008243500000000, 0.0013273900000000 ] - [ 0.0004831400000000, -0.0010871500000000, 0.0011476700000000 ] - [ -0.0008288600000000, -0.0002485000000000, -0.0001239000000000 ] - [ -0.0026614800000000, -0.0000534100000000, -0.0002948600000000 ] - [ -0.0005589600000000, -0.0008906000000000, -0.0002328700000000 ] - [ 0.0007810900000000, -0.0009367300000000, -0.0013804100000000 ] - [ -0.0002184300000000, -0.0009130600000000, -0.0005230700000000 ] - [ 0.0014341200000000, -0.0010202300000000, -0.0007028000000000 ] - [ -0.0007113200000000, 0.0000310900000000, 0.0010326900000000 ] - [ -0.0004889100000000, 0.0010069500000000, 0.0007383600000000 ] - [ 0.0011585800000000, -0.0008465000000000, -0.0031085300000000 ] - [ -0.0025523400000000, 0.0011891800000000, 0.0010653200000000 ] - [ 0.0000012500000000, 0.0012984300000000, 0.0002373800000000 ] - [ -0.0028174000000000, 0.0019944700000000, -0.0014906400000000 ] - [ 0.0003459200000000, 0.0013030500000000, -0.0001438100000000 ] - [ -0.0004890200000000, -0.0001831700000000, 0.0012129000000000 ] - [ -0.0006271400000000, -0.0002767200000000, 0.0011732700000000 ] - [ -0.0033693100000000, 0.0015601500000000, -0.0010469000000000 ] - [ -0.0011780400000000, -0.0006987600000000, -0.0004567300000000 ] - [ 0.0015270200000000, 0.0011597900000000, 0.0011224500000000 ] - [ -0.0008624200000000, 0.0001028300000000, -0.0014510200000000 ] - [ 0.0002861500000000, 0.0008923100000000, 0.0005331900000000 ] - [ -0.0015583500000000, 0.0006044900000000, -0.0002321100000000 ] - [ 0.0005927100000000, 0.0008652900000000, 0.0010192400000000 ] - [ -0.0009710600000000, 0.0001210600000000, -0.0015880000000000 ] - [ -0.0004034600000000, -0.0000368200000000, -0.0000114100000000 ] - [ 0.0006677900000000, 0.0002951600000000, -0.0002633800000000 ] - [ -0.0005313600000000, 0.0009267300000000, -0.0001627300000000 ] - [ 0.0007812500000000, 0.0018510200000000, -0.0030705700000000 ] - [ -0.0008260600000000, -0.0017000700000000, -0.0011582000000000 ] - [ -0.0028439100000000, -0.0007012700000000, -0.0001069300000000 ] - [ 0.0000813500000000, -0.0010117100000000, -0.0000762700000000 ] - [ 0.0001804200000000, -0.0006206700000000, -0.0001438700000000 ] - [ 0.0009473100000000, -0.0006756400000000, 0.0011731300000000 ] - [ -0.0000472500000000, -0.0018299600000000, -0.0016855000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0223748900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003370500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006276800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000505500000000, 0.0000000000000000 ] - [ -0.0082280300000000, 0.0069380900000000, 0.0029907400000000 ] - [ -0.0059435200000000, 0.0024041700000000, 0.0026946600000000 ] - [ -0.0000762700000000, 0.0014479400000000, -0.0005883000000000 ] - [ 0.0059435200000000, 0.0024041700000000, -0.0026946600000000 ] - [ -0.0008284500000000, -0.0029754000000000, -0.0010246100000000 ] - [ 0.0008284500000000, -0.0029754000000000, 0.0010246100000000 ] - [ 0.0000762700000000, 0.0014479400000000, 0.0005883000000000 ] - [ 0.0082280300000000, 0.0069380900000000, -0.0029907400000000 ] - [ 0.0000000000000000, 0.0000731300000000, 0.0000000000000000 ] - [ -0.0003637400000000, -0.0027580500000000, 0.0010699500000000 ] - [ -0.0029971600000000, -0.0005220800000000, -0.0039413300000000 ] - [ -0.0015248100000000, 0.0040554700000000, -0.0015139500000000 ] - [ -0.0004279800000000, 0.0026915800000000, -0.0001880400000000 ] - [ 0.0000000000000000, 0.0066402300000000, 0.0000000000000000 ] - [ 0.0015248100000000, 0.0040554700000000, 0.0015139500000000 ] - [ 0.0029971600000000, -0.0005220800000000, 0.0039413300000000 ] - [ 0.0000000000000000, -0.0032776700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008259800000000, 0.0000000000000000 ] - [ 0.0004279800000000, 0.0026915800000000, 0.0001880400000000 ] - [ 0.0003637400000000, -0.0027580500000000, -0.0010699500000000 ] - [ -0.0007346800000000, 0.0006005000000000, -0.0011089600000000 ] - [ 0.0016888600000000, -0.0004801500000000, 0.0001187600000000 ] - [ -0.0000771000000000, -0.0008211100000000, -0.0006868300000000 ] - [ -0.0000594900000000, -0.0015283900000000, 0.0002868700000000 ] - [ 0.0014920000000000, -0.0008743500000000, 0.0026020500000000 ] - [ -0.0020117600000000, 0.0002298300000000, -0.0013062700000000 ] - [ -0.0002117100000000, -0.0008668200000000, -0.0000101200000000 ] - [ -0.0008589800000000, -0.0024503500000000, 0.0007082900000000 ] - [ -0.0016888600000000, -0.0004801500000000, -0.0001187600000000 ] - [ 0.0003586000000000, -0.0011780800000000, 0.0010543500000000 ] - [ -0.0000961400000000, 0.0000610900000000, -0.0007105300000000 ] - [ 0.0004936000000000, 0.0016366000000000, -0.0001798500000000 ] - [ -0.0010138100000000, 0.0017921500000000, 0.0015785800000000 ] - [ 0.0006802900000000, -0.0005023500000000, -0.0005419700000000 ] - [ -0.0000310600000000, -0.0015372300000000, 0.0015950100000000 ] - [ 0.0003626800000000, -0.0021709100000000, -0.0000876200000000 ] - [ 0.0007346800000000, 0.0006005000000000, 0.0011089600000000 ] - [ 0.0007279300000000, -0.0016604100000000, 0.0011202500000000 ] - [ 0.0012092500000000, 0.0019337400000000, 0.0007383100000000 ] - [ 0.0008589800000000, -0.0024503500000000, -0.0007082900000000 ] - [ -0.0022346700000000, 0.0010724500000000, -0.0026924300000000 ] - [ 0.0000961400000000, 0.0000610900000000, 0.0007105300000000 ] - [ 0.0004044800000000, -0.0017339600000000, 0.0011534100000000 ] - [ -0.0001073900000000, -0.0003786200000000, 0.0001918800000000 ] - [ 0.0000594900000000, -0.0015283900000000, -0.0002868700000000 ] - [ 0.0001073900000000, -0.0003786200000000, -0.0001918800000000 ] - [ 0.0003252100000000, -0.0008570800000000, -0.0008427300000000 ] - [ -0.0007279300000000, -0.0016604100000000, -0.0011202500000000 ] - [ 0.0004327100000000, -0.0004834600000000, -0.0003891100000000 ] - [ -0.0006802900000000, -0.0005023500000000, 0.0005419700000000 ] - [ -0.0000653500000000, 0.0019214300000000, 0.0006272400000000 ] - [ 0.0002344200000000, 0.0022967500000000, 0.0024259100000000 ] - [ -0.0010045200000000, 0.0013691800000000, 0.0007196600000000 ] - [ 0.0009093000000000, 0.0006745200000000, 0.0002255900000000 ] - [ 0.0020117600000000, 0.0002298300000000, 0.0013062700000000 ] - [ -0.0004936000000000, 0.0016366000000000, 0.0001798500000000 ] - [ 0.0000653500000000, 0.0019214300000000, -0.0006272400000000 ] - [ 0.0010138100000000, 0.0017921500000000, -0.0015785800000000 ] - [ -0.0012092500000000, 0.0019337400000000, -0.0007383100000000 ] - [ -0.0003526800000000, -0.0003485100000000, -0.0001952300000000 ] - [ -0.0003626800000000, -0.0021709100000000, 0.0000876200000000 ] - [ 0.0000350800000000, 0.0015508100000000, 0.0016554300000000 ] - [ 0.0000310600000000, -0.0015372300000000, -0.0015950100000000 ] - [ -0.0009093000000000, 0.0006745200000000, -0.0002255900000000 ] - [ -0.0004044800000000, -0.0017339600000000, -0.0011534100000000 ] - [ -0.0000350800000000, 0.0015508100000000, -0.0016554300000000 ] - [ 0.0003526800000000, -0.0003485100000000, 0.0001952300000000 ] - [ -0.0004327100000000, -0.0004834600000000, 0.0003891100000000 ] - [ -0.0003252100000000, -0.0008570800000000, 0.0008427300000000 ] - [ -0.0002344200000000, 0.0022967500000000, -0.0024259100000000 ] - [ -0.0003586000000000, -0.0011780800000000, -0.0010543500000000 ] - [ 0.0010045200000000, 0.0013691800000000, -0.0007196600000000 ] - [ 0.0022346700000000, 0.0010724500000000, 0.0026924300000000 ] - [ 0.0002117100000000, -0.0008668200000000, 0.0000101200000000 ] - [ 0.0000771000000000, -0.0008211100000000, 0.0006868300000000 ] - [ -0.0014920000000000, -0.0008743500000000, -0.0026020500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0216238800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000937700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010565500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0003747300000000, 0.0000000000000000 ] - [ 0.0083793000000000, -0.0065712900000000, -0.0041200900000000 ] - [ 0.0061294300000000, -0.0020330700000000, -0.0015446300000000 ] - [ -0.0001309600000000, -0.0018071000000000, -0.0005755600000000 ] - [ -0.0061294300000000, -0.0020330700000000, 0.0015446300000000 ] - [ 0.0006111100000000, 0.0026477900000000, 0.0021791300000000 ] - [ -0.0006111100000000, 0.0026477900000000, -0.0021791300000000 ] - [ 0.0001309600000000, -0.0018071000000000, 0.0005755600000000 ] - [ -0.0083793000000000, -0.0065712900000000, 0.0041200900000000 ] - [ 0.0000000000000000, 0.0002607900000000, 0.0000000000000000 ] - [ 0.0006556800000000, 0.0025196700000000, -0.0009872800000000 ] - [ 0.0032930900000000, 0.0007418800000000, 0.0040263500000000 ] - [ 0.0018540500000000, -0.0038266300000000, 0.0014373000000000 ] - [ 0.0001306700000000, -0.0029176700000000, 0.0002644900000000 ] - [ 0.0000000000000000, -0.0070121200000000, 0.0000000000000000 ] - [ -0.0018540500000000, -0.0038266300000000, -0.0014373000000000 ] - [ -0.0032930900000000, 0.0007418800000000, -0.0040263500000000 ] - [ 0.0000000000000000, 0.0029271900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004757400000000, 0.0000000000000000 ] - [ -0.0001306700000000, -0.0029176700000000, -0.0002644900000000 ] - [ -0.0006556800000000, 0.0025196700000000, 0.0009872800000000 ] - [ -0.0005476700000000, -0.0006041900000000, -0.0000509700000000 ] - [ -0.0013742100000000, 0.0015965200000000, -0.0002216000000000 ] - [ 0.0003704100000000, 0.0003126400000000, -0.0005077700000000 ] - [ 0.0016998600000000, -0.0003305300000000, 0.0001793600000000 ] - [ -0.0014906800000000, 0.0000635500000000, -0.0021035100000000 ] - [ 0.0032993200000000, -0.0002093000000000, 0.0024666100000000 ] - [ 0.0005426600000000, -0.0002378800000000, 0.0001084200000000 ] - [ 0.0015846100000000, 0.0031319300000000, -0.0011216200000000 ] - [ 0.0013742100000000, 0.0015965200000000, 0.0002216000000000 ] - [ -0.0003577100000000, 0.0003917500000000, -0.0015612700000000 ] - [ -0.0001983400000000, -0.0005699000000000, -0.0004830000000000 ] - [ 0.0011761200000000, 0.0002041600000000, -0.0002823700000000 ] - [ 0.0008908900000000, -0.0019874100000000, -0.0016798000000000 ] - [ 0.0006020800000000, 0.0005044700000000, -0.0006255400000000 ] - [ 0.0000307400000000, 0.0023312800000000, -0.0010955100000000 ] - [ -0.0000611800000000, 0.0026925800000000, -0.0011028400000000 ] - [ 0.0005476700000000, -0.0006041900000000, 0.0000509700000000 ] - [ -0.0006089600000000, 0.0018563300000000, -0.0012288100000000 ] - [ -0.0004741300000000, -0.0012537900000000, -0.0003246200000000 ] - [ -0.0015846100000000, 0.0031319300000000, 0.0011216200000000 ] - [ 0.0039167000000000, -0.0027543100000000, 0.0020549300000000 ] - [ 0.0001983400000000, -0.0005699000000000, 0.0004830000000000 ] - [ -0.0005192300000000, 0.0015249400000000, -0.0010356400000000 ] - [ -0.0002414500000000, -0.0007205500000000, -0.0000943500000000 ] - [ -0.0016998600000000, -0.0003305300000000, -0.0001793600000000 ] - [ 0.0002414500000000, -0.0007205500000000, 0.0000943500000000 ] - [ 0.0009784800000000, 0.0008536200000000, -0.0003475600000000 ] - [ 0.0006089600000000, 0.0018563300000000, 0.0012288100000000 ] - [ 0.0002825000000000, -0.0001901800000000, -0.0000149200000000 ] - [ -0.0006020800000000, 0.0005044700000000, 0.0006255400000000 ] - [ 0.0000698900000000, -0.0011131100000000, -0.0011249200000000 ] - [ 0.0002276200000000, -0.0012591600000000, -0.0024266900000000 ] - [ 0.0012992500000000, -0.0008625400000000, 0.0004738400000000 ] - [ 0.0007267700000000, 0.0011858200000000, 0.0002444700000000 ] - [ -0.0032993200000000, -0.0002093000000000, -0.0024666100000000 ] - [ -0.0011761200000000, 0.0002041600000000, 0.0002823700000000 ] - [ -0.0000698900000000, -0.0011131100000000, 0.0011249200000000 ] - [ -0.0008908900000000, -0.0019874100000000, 0.0016798000000000 ] - [ 0.0004741300000000, -0.0012537900000000, 0.0003246200000000 ] - [ -0.0003640400000000, -0.0003199400000000, -0.0002094200000000 ] - [ 0.0000611800000000, 0.0026925800000000, 0.0011028400000000 ] - [ 0.0000859000000000, -0.0013583500000000, -0.0015616400000000 ] - [ -0.0000307400000000, 0.0023312800000000, 0.0010955100000000 ] - [ -0.0007267700000000, 0.0011858200000000, -0.0002444700000000 ] - [ 0.0005192300000000, 0.0015249400000000, 0.0010356400000000 ] - [ -0.0000859000000000, -0.0013583500000000, 0.0015616400000000 ] - [ 0.0003640400000000, -0.0003199400000000, 0.0002094200000000 ] - [ -0.0002825000000000, -0.0001901800000000, 0.0000149200000000 ] - [ -0.0009784800000000, 0.0008536200000000, 0.0003475600000000 ] - [ -0.0002276200000000, -0.0012591600000000, 0.0024266900000000 ] - [ 0.0003577100000000, 0.0003917500000000, 0.0015612700000000 ] - [ -0.0012992500000000, -0.0008625400000000, -0.0004738400000000 ] - [ -0.0039167000000000, -0.0027543100000000, -0.0020549300000000 ] - [ -0.0005426600000000, -0.0002378800000000, -0.0001084200000000 ] - [ -0.0003704100000000, 0.0003126400000000, 0.0005077700000000 ] - [ 0.0014906800000000, 0.0000635500000000, 0.0021035100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0129460400000000, -0.0002609200000000, -0.0146670700000000 ] - [ 0.0000801000000000, 0.0002168100000000, 0.0005146000000000 ] - [ -0.0003045600000000, -0.0002169100000000, -0.0005700700000000 ] - [ -0.0000450000000000, 0.0002193400000000, 0.0009959900000000 ] - [ -0.0063226100000000, 0.0051782100000000, -0.0019992400000000 ] - [ -0.0055863900000000, 0.0032619400000000, -0.0001329300000000 ] - [ 0.0001275300000000, -0.0001972500000000, 0.0005163900000000 ] - [ -0.0057966800000000, -0.0029144800000000, -0.0012886500000000 ] - [ 0.0041196300000000, -0.0016498500000000, 0.0052626200000000 ] - [ 0.0042928300000000, 0.0012902800000000, 0.0041114200000000 ] - [ 0.0003391200000000, -0.0001456900000000, 0.0016528300000000 ] - [ -0.0065416400000000, -0.0048328800000000, -0.0008346100000000 ] - [ -0.0000718300000000, 0.0001507700000000, 0.0014045400000000 ] - [ -0.0002581600000000, -0.0000533900000000, 0.0030952800000000 ] - [ 0.0013062000000000, -0.0015343000000000, -0.0025445800000000 ] - [ 0.0017081500000000, -0.0034979600000000, -0.0028575400000000 ] - [ -0.0000518000000000, 0.0003173800000000, 0.0019262300000000 ] - [ 0.0011496700000000, -0.0001493300000000, -0.0028667900000000 ] - [ 0.0014610900000000, 0.0036947700000000, -0.0027337700000000 ] - [ 0.0010456900000000, 0.0017451200000000, -0.0026908700000000 ] - [ -0.0013923300000000, -0.0001488600000000, -0.0019612300000000 ] - [ -0.0010486700000000, 0.0001427100000000, 0.0022496700000000 ] - [ 0.0002041300000000, -0.0005260100000000, 0.0018220100000000 ] - [ -0.0005026400000000, -0.0001485400000000, 0.0029942500000000 ] - [ -0.0012470200000000, 0.0005360900000000, -0.0027858900000000 ] - [ 0.0012912200000000, 0.0000335900000000, 0.0003176800000000 ] - [ -0.0001132600000000, -0.0006340700000000, -0.0014364400000000 ] - [ 0.0017442700000000, -0.0003959900000000, 0.0004069300000000 ] - [ -0.0014261200000000, 0.0019061500000000, 0.0003579000000000 ] - [ 0.0011053000000000, -0.0009080900000000, 0.0037378700000000 ] - [ -0.0001128300000000, -0.0007647200000000, -0.0001599600000000 ] - [ -0.0005714300000000, -0.0006934900000000, 0.0010398400000000 ] - [ 0.0010482500000000, 0.0011207900000000, 0.0004305400000000 ] - [ -0.0000108400000000, -0.0000829900000000, 0.0001206500000000 ] - [ 0.0003091300000000, -0.0006101500000000, -0.0014604600000000 ] - [ -0.0013537000000000, 0.0017571000000000, -0.0022362200000000 ] - [ 0.0007067400000000, -0.0005508300000000, -0.0014141400000000 ] - [ 0.0009888300000000, 0.0001132300000000, -0.0017370800000000 ] - [ -0.0000278100000000, 0.0011214800000000, -0.0006947900000000 ] - [ 0.0001963600000000, -0.0006593700000000, 0.0004565600000000 ] - [ -0.0000092800000000, -0.0005401700000000, -0.0016494800000000 ] - [ -0.0003592200000000, 0.0011685000000000, -0.0000444600000000 ] - [ 0.0014420100000000, 0.0011825300000000, 0.0012906800000000 ] - [ -0.0012812600000000, 0.0013419700000000, 0.0014399700000000 ] - [ 0.0035264900000000, -0.0015465100000000, 0.0028722100000000 ] - [ 0.0006240100000000, 0.0000845700000000, -0.0002297000000000 ] - [ -0.0003000200000000, 0.0005569300000000, -0.0008341800000000 ] - [ -0.0009502400000000, -0.0001641000000000, -0.0003271600000000 ] - [ 0.0001962000000000, -0.0015087700000000, -0.0000620500000000 ] - [ -0.0007064800000000, -0.0009891800000000, -0.0004399200000000 ] - [ -0.0002393000000000, 0.0001485600000000, 0.0018637900000000 ] - [ -0.0005119500000000, -0.0010049800000000, 0.0000160900000000 ] - [ 0.0011160300000000, -0.0011506300000000, -0.0013125300000000 ] - [ -0.0002559600000000, -0.0001111000000000, -0.0005913100000000 ] - [ 0.0001970700000000, -0.0001617600000000, -0.0013015900000000 ] - [ 0.0001059400000000, 0.0016015600000000, 0.0033648500000000 ] - [ 0.0000219300000000, 0.0004348600000000, 0.0014076700000000 ] - [ 0.0008719700000000, 0.0008871900000000, 0.0000861000000000 ] - [ -0.0001553200000000, 0.0009169100000000, 0.0025843700000000 ] - [ -0.0028701000000000, 0.0001592300000000, -0.0017483000000000 ] - [ 0.0002015300000000, 0.0008919300000000, -0.0007904800000000 ] - [ 0.0008603100000000, 0.0003801200000000, -0.0013469000000000 ] - [ 0.0007279400000000, -0.0005390900000000, 0.0008908400000000 ] - [ -0.0005039400000000, -0.0004628600000000, -0.0006278800000000 ] - [ -0.0001145200000000, 0.0011861000000000, 0.0016926400000000 ] - [ -0.0011404000000000, 0.0012015300000000, 0.0005996000000000 ] - [ -0.0000219200000000, -0.0003859300000000, -0.0012033700000000 ] - [ -0.0006792100000000, 0.0010173000000000, -0.0003820300000000 ] - [ -0.0001501900000000, -0.0007182600000000, -0.0008997700000000 ] - [ -0.0013027200000000, -0.0010549100000000, 0.0005543000000000 ] - [ 0.0002070000000000, -0.0001851500000000, -0.0002257800000000 ] - [ 0.0004099500000000, 0.0005113300000000, -0.0009143200000000 ] - [ -0.0014841400000000, -0.0001454900000000, 0.0030132100000000 ] - [ -0.0002716800000000, -0.0005547100000000, 0.0033204700000000 ] - [ -0.0000027700000000, -0.0006417300000000, 0.0006439800000000 ] - [ -0.0002978800000000, 0.0000835500000000, 0.0001748400000000 ] - [ 0.0019283600000000, -0.0002135200000000, 0.0034331000000000 ] - [ -0.0003573200000000, -0.0003883400000000, -0.0002731300000000 ] - [ -0.0004321400000000, 0.0001148600000000, -0.0002080200000000 ] - [ -0.0014237200000000, -0.0026320400000000, -0.0001778200000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0015176200000000, -0.0085496200000000, -0.0064581500000000 ] - [ 0.0008004000000000, 0.0002448500000000, -0.0002319000000000 ] - [ 0.0077614600000000, -0.0062246400000000, 0.0056596400000000 ] - [ -0.0004947600000000, -0.0005021000000000, 0.0042127500000000 ] - [ -0.8360065700000000, 0.3074409100000000, -0.0439849300000000 ] - [ 0.0070661200000000, 0.0008928200000000, 0.0005293100000000 ] - [ -0.0044567700000000, -0.0047403200000000, 0.0027220800000000 ] - [ -0.0110153500000000, -0.0002615500000000, 0.0017876700000000 ] - [ 0.0082930700000000, -0.0036920500000000, 0.0035930300000000 ] - [ -0.0053812200000000, 0.0039584900000000, -0.0022182700000000 ] - [ 0.0163711200000000, 0.0010572400000000, -0.0000538900000000 ] - [ 0.0139070200000000, -0.0001279400000000, -0.0058772700000000 ] - [ 0.0059940200000000, -0.0010680700000000, -0.0058758100000000 ] - [ 0.0079614500000000, 0.0180334700000000, -0.0202109100000000 ] - [ 0.0056614100000000, 0.0056176700000000, 0.0188796100000000 ] - [ 0.0089933900000000, 0.0017150200000000, 0.0010950200000000 ] - [ -0.0094357800000000, 0.0090917000000000, 0.0003583800000000 ] - [ 0.0247205200000000, 0.0269144200000000, -0.0172344700000000 ] - [ -0.0117688900000000, 0.0037994100000000, -0.0020904000000000 ] - [ 0.0183604400000000, 0.0012754300000000, 0.0008305700000000 ] - [ 0.0076487700000000, 0.0074146100000000, 0.0036416200000000 ] - [ -0.0026938600000000, 0.0015014700000000, 0.0016567000000000 ] - [ 0.0013630000000000, 0.0017974700000000, -0.0013940200000000 ] - [ 0.0047172500000000, -0.0003644500000000, -0.0007025300000000 ] - [ 0.0021483200000000, -0.0036417500000000, 0.0084516100000000 ] - [ 0.3545069900000000, -0.1654956300000000, 0.0334243800000000 ] - [ 0.0017805900000000, -0.0011419100000000, -0.0011853800000000 ] - [ 0.0026518900000000, 0.0019286400000000, 0.0005589600000000 ] - [ -0.0014598900000000, -0.0006828200000000, -0.0004985700000000 ] - [ -0.0062141900000000, 0.0006798300000000, -0.0013836400000000 ] - [ -0.0072212000000000, -0.0038153800000000, -0.0010245400000000 ] - [ 0.0161408100000000, 0.0093638700000000, -0.0054982300000000 ] - [ -0.0058842300000000, -0.0016418500000000, -0.0010382200000000 ] - [ 0.0002370900000000, 0.0012515700000000, -0.0066243100000000 ] - [ -0.0038315700000000, 0.0000936900000000, 0.0036770100000000 ] - [ -0.0038880600000000, 0.0049147500000000, -0.0024781700000000 ] - [ -0.0020393100000000, 0.0017526700000000, 0.0016507000000000 ] - [ 0.0036595600000000, -0.0017148000000000, -0.0042234700000000 ] - [ -0.0004516600000000, -0.0010533000000000, 0.0018404600000000 ] - [ 0.0040466500000000, -0.0080072200000000, 0.0066702600000000 ] - [ -0.0008689600000000, -0.0004387500000000, -0.0008539100000000 ] - [ -0.0027948300000000, 0.0014253200000000, -0.0019051900000000 ] - [ -0.0034382600000000, -0.0026895700000000, -0.0019449800000000 ] - [ -0.0069550100000000, 0.0001218700000000, 0.0054202900000000 ] - [ -0.0035565700000000, -0.0022191100000000, 0.0028456300000000 ] - [ -0.0031219400000000, -0.0015513500000000, 0.0025206500000000 ] - [ 0.0045284400000000, -0.0035279400000000, 0.0034678800000000 ] - [ -0.0030420800000000, 0.0005173800000000, -0.0003488500000000 ] - [ -0.0033714000000000, 0.0006615000000000, -0.0008484100000000 ] - [ 0.0001644300000000, -0.0010554100000000, 0.0000783500000000 ] - [ 0.0049508400000000, -0.0003644100000000, -0.0028206100000000 ] - [ 0.0025133200000000, 0.0014482400000000, 0.0014562200000000 ] - [ 0.0024182400000000, -0.0021849400000000, -0.0014028700000000 ] - [ -0.0015210900000000, -0.0000701400000000, 0.0013863300000000 ] - [ -0.0015781000000000, -0.0065087000000000, -0.0001568500000000 ] - [ -0.0027423100000000, 0.0018833200000000, 0.0010333400000000 ] - [ -0.0082359800000000, -0.0006111600000000, 0.0007434100000000 ] - [ 0.0005428500000000, 0.0014837100000000, -0.0000337700000000 ] - [ 0.0155498200000000, -0.0002282300000000, 0.0034591700000000 ] - [ 0.0017934100000000, 0.0020647300000000, 0.0002778300000000 ] - [ -0.0009394600000000, 0.0005839400000000, 0.0001966500000000 ] - [ 0.0212285500000000, 0.0093323000000000, -0.0094696400000000 ] - [ -0.0009737100000000, -0.0029955600000000, -0.0006772800000000 ] - [ -0.0008679500000000, 0.0006027300000000, 0.0013127400000000 ] - [ -0.0075589500000000, -0.0057180700000000, -0.0014349900000000 ] - [ 0.0009464500000000, -0.0037104000000000, -0.0048341000000000 ] - [ 0.0187168700000000, 0.0012094500000000, 0.0092842900000000 ] - [ -0.0069066600000000, -0.0001185700000000, 0.0011882300000000 ] - [ -0.0007176200000000, -0.0010602100000000, -0.0000958000000000 ] - [ -0.0044752500000000, -0.0015978700000000, 0.0012871800000000 ] - [ -0.0026633400000000, 0.0013844900000000, 0.0002658100000000 ] - [ 0.0006420700000000, 0.0003631000000000, -0.0007678600000000 ] - [ -0.0039719900000000, -0.0006668500000000, 0.0025167100000000 ] - [ 0.0060755900000000, 0.0034607300000000, -0.0010921300000000 ] - [ -0.0055704000000000, -0.0011473500000000, 0.0007579400000000 ] - [ -0.0011883300000000, -0.0019070000000000, -0.0014041700000000 ] - [ 0.3782943700000000, -0.1801841800000000, 0.0181417100000000 ] - [ 0.0023035200000000, -0.0011641500000000, -0.0005884500000000 ] - [ 0.0002920700000000, -0.0007560400000000, 0.0008024200000000 ] - [ 0.0020336900000000, -0.0020814900000000, 0.0012844400000000 ]- atom: 5 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015412400000000, 0.0080542100000000, 0.0064079500000000 ] - [ -0.0007847800000000, 0.0001934600000000, 0.0002380700000000 ] - [ -0.0077982700000000, 0.0058411300000000, -0.0057139200000000 ] - [ 0.0004645600000000, 0.0009443400000000, -0.0041874100000000 ] - [ 0.8354935500000000, -0.3070862100000000, 0.0443877300000000 ] - [ -0.0068872700000000, -0.0005342800000000, 0.0006081500000000 ] - [ 0.0043164600000000, 0.0043720500000000, -0.0038921500000000 ] - [ 0.0108927800000000, 0.0006362100000000, -0.0028799200000000 ] - [ -0.0084421400000000, 0.0032583600000000, -0.0023893100000000 ] - [ 0.0055196200000000, -0.0042772500000000, 0.0010705100000000 ] - [ -0.0161875200000000, -0.0013762500000000, 0.0012769800000000 ] - [ -0.0140797600000000, 0.0005285100000000, 0.0069646900000000 ] - [ -0.0059310400000000, 0.0013668100000000, 0.0059010200000000 ] - [ -0.0075468400000000, -0.0182292800000000, 0.0202544900000000 ] - [ -0.0050676900000000, -0.0054264100000000, -0.0186088800000000 ] - [ -0.0087557400000000, -0.0014893500000000, -0.0012128600000000 ] - [ 0.0092045300000000, -0.0095875400000000, -0.0003306800000000 ] - [ -0.0249369000000000, -0.0271722600000000, 0.0172136300000000 ] - [ 0.0115326400000000, -0.0035997000000000, 0.0021717000000000 ] - [ -0.0186590700000000, -0.0010819900000000, -0.0009095700000000 ] - [ -0.0075657900000000, -0.0077891000000000, -0.0037451900000000 ] - [ 0.0026347600000000, -0.0012035900000000, -0.0016814300000000 ] - [ -0.0011155400000000, -0.0020118800000000, 0.0012956100000000 ] - [ -0.0049701100000000, 0.0001403900000000, 0.0005971900000000 ] - [ -0.0034341000000000, 0.0036041600000000, -0.0095583000000000 ] - [ -0.3700063700000000, 0.1769569900000000, -0.0357735900000000 ] - [ -0.0014447800000000, 0.0006980700000000, 0.0000347500000000 ] - [ -0.0010639400000000, -0.0038307900000000, -0.0000976500000000 ] - [ 0.0014627300000000, -0.0000704100000000, 0.0010062800000000 ] - [ 0.0074770700000000, -0.0006852200000000, 0.0025802200000000 ] - [ 0.0074594300000000, 0.0026582300000000, 0.0011046200000000 ] - [ -0.0150796800000000, -0.0079826000000000, 0.0046651800000000 ] - [ 0.0056013800000000, 0.0027718900000000, 0.0011615500000000 ] - [ -0.0002938600000000, -0.0019768200000000, 0.0060779100000000 ] - [ 0.0034869200000000, -0.0005840900000000, -0.0048505600000000 ] - [ 0.0054533200000000, -0.0029928400000000, 0.0019783800000000 ] - [ 0.0018985700000000, -0.0019308300000000, -0.0017207000000000 ] - [ -0.0024191900000000, 0.0017612200000000, 0.0031148900000000 ] - [ 0.0004536700000000, 0.0018171200000000, -0.0013232100000000 ] - [ -0.0037438000000000, 0.0085723900000000, -0.0079184700000000 ] - [ 0.0021424300000000, 0.0004357400000000, 0.0020078500000000 ] - [ 0.0029452800000000, -0.0012627700000000, 0.0018279600000000 ] - [ 0.0041669400000000, 0.0033808400000000, 0.0023752200000000 ] - [ 0.0063012700000000, 0.0005094300000000, -0.0050255300000000 ] - [ 0.0051374800000000, 0.0003294800000000, -0.0032831600000000 ] - [ 0.0034010400000000, 0.0010415800000000, -0.0013243000000000 ] - [ -0.0047186800000000, 0.0034359800000000, -0.0034224900000000 ] - [ 0.0027192300000000, -0.0016280500000000, 0.0004508800000000 ] - [ 0.0017618300000000, -0.0025427200000000, 0.0003871900000000 ] - [ 0.0001349900000000, -0.0000724600000000, -0.0001878800000000 ] - [ -0.0036904500000000, 0.0003667900000000, 0.0016616900000000 ] - [ -0.0026467400000000, -0.0012377000000000, -0.0013465700000000 ] - [ -0.0016707500000000, 0.0014994700000000, 0.0009927600000000 ] - [ 0.0002504000000000, 0.0000653900000000, -0.0002327900000000 ] - [ 0.0015477600000000, 0.0072025200000000, -0.0003595900000000 ] - [ 0.0030475000000000, -0.0007589000000000, -0.0009194800000000 ] - [ 0.0085575700000000, 0.0011721800000000, 0.0004787400000000 ] - [ 0.0010307000000000, 0.0004109800000000, 0.0005054000000000 ] - [ -0.0169175600000000, 0.0001555900000000, -0.0048718100000000 ] - [ -0.0033833400000000, -0.0001801800000000, 0.0001917500000000 ] - [ 0.0009382200000000, 0.0001935300000000, 0.0003175600000000 ] - [ -0.0211591900000000, -0.0099824100000000, 0.0099783300000000 ] - [ 0.0002114100000000, 0.0036868200000000, 0.0002742300000000 ] - [ 0.0001056200000000, -0.0012977500000000, -0.0017387600000000 ] - [ 0.0073323900000000, 0.0062569700000000, 0.0026489500000000 ] - [ -0.0008356600000000, 0.0038525600000000, 0.0048216200000000 ] - [ -0.0188275300000000, -0.0002850300000000, -0.0096893500000000 ] - [ 0.0053520900000000, 0.0019980400000000, -0.0016823800000000 ] - [ 0.0008574800000000, 0.0008766900000000, 0.0000093200000000 ] - [ 0.0043412000000000, 0.0018096500000000, -0.0013957700000000 ] - [ 0.0033672400000000, -0.0020387800000000, 0.0001192200000000 ] - [ -0.0013357400000000, -0.0010107500000000, 0.0011656400000000 ] - [ 0.0026950200000000, 0.0006665400000000, -0.0013438800000000 ] - [ -0.0063866600000000, -0.0023455000000000, 0.0009811200000000 ] - [ 0.0056096100000000, 0.0003808500000000, -0.0002810000000000 ] - [ 0.0007904700000000, 0.0023881100000000, 0.0002413400000000 ] - [ -0.3635713600000000, 0.1677005700000000, -0.0167580600000000 ] - [ -0.0025942400000000, 0.0000358500000000, 0.0004819300000000 ] - [ -0.0005618200000000, 0.0002440500000000, 0.0004019000000000 ] - [ -0.0020419900000000, 0.0012899600000000, -0.0017755000000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0055815300000000, 0.0065345600000000, 0.0049861000000000 ] - [ -0.0001362900000000, 0.0018407400000000, 0.0000270000000000 ] - [ -0.0043245300000000, 0.0019872800000000, -0.0030895800000000 ] - [ -0.0007228200000000, -0.0025821900000000, -0.0014746100000000 ] - [ 0.3069708000000000, -0.3975961000000000, 0.0259919600000000 ] - [ 0.0008024900000000, 0.0057379100000000, -0.0002603500000000 ] - [ -0.0046508000000000, -0.0085681300000000, 0.0048070000000000 ] - [ 0.0003029400000000, 0.0292329100000000, 0.0009988900000000 ] - [ -0.0035558900000000, 0.0062599000000000, 0.0003153600000000 ] - [ -0.0040246800000000, 0.0096581800000000, -0.0049642500000000 ] - [ -0.0011347900000000, -0.0049358000000000, 0.0026732000000000 ] - [ 0.0002328200000000, -0.0109802400000000, -0.0013506000000000 ] - [ 0.0047170300000000, -0.0096583200000000, -0.0071378000000000 ] - [ 0.0211267700000000, 0.0380701100000000, -0.0394189800000000 ] - [ 0.0186383100000000, -0.0055318400000000, 0.0262457500000000 ] - [ 0.0101166400000000, 0.0072855900000000, 0.0041750900000000 ] - [ -0.0033437100000000, 0.0379052800000000, 0.0267609900000000 ] - [ 0.0408020000000000, 0.0304743500000000, -0.0220650900000000 ] - [ -0.0068237300000000, 0.0109120700000000, -0.0083583700000000 ] - [ -0.0001914400000000, -0.0052974500000000, -0.0006333000000000 ] - [ 0.0084960300000000, 0.0019443900000000, -0.0005472600000000 ] - [ 0.0023130900000000, 0.0082571600000000, 0.0058419600000000 ] - [ 0.0016911800000000, -0.0003254100000000, -0.0003033600000000 ] - [ 0.0019331800000000, 0.0008132800000000, -0.0018494300000000 ] - [ 0.0018836600000000, -0.0074905500000000, 0.0145268000000000 ] - [ -0.1747344400000000, 0.1173743800000000, -0.0177615700000000 ] - [ -0.0055212100000000, -0.0084351600000000, -0.0071408800000000 ] - [ -0.0010110300000000, -0.0048131700000000, -0.0001306200000000 ] - [ -0.0010625600000000, -0.0055242300000000, -0.0027949000000000 ] - [ 0.0011294900000000, 0.0018747000000000, -0.0011036000000000 ] - [ 0.0005098400000000, 0.0009523800000000, 0.0000244500000000 ] - [ 0.0057166600000000, 0.0352790400000000, -0.0141421900000000 ] - [ 0.0002314900000000, 0.0019548100000000, 0.0007070900000000 ] - [ -0.0036429000000000, 0.0097714600000000, -0.0080648600000000 ] - [ -0.0118960200000000, 0.0025219700000000, 0.0096972500000000 ] - [ 0.0058655100000000, -0.0022580000000000, 0.0010756200000000 ] - [ -0.0010907900000000, 0.0011990900000000, 0.0012810400000000 ] - [ 0.0051619600000000, -0.0027743700000000, -0.0110117900000000 ] - [ -0.0004334700000000, 0.0009371800000000, 0.0004896900000000 ] - [ 0.0021287500000000, -0.0094946000000000, 0.0074287900000000 ] - [ 0.0005961300000000, -0.0000309200000000, 0.0013030000000000 ] - [ -0.0019933700000000, 0.0001854300000000, -0.0018768700000000 ] - [ -0.0027736600000000, -0.0020634000000000, -0.0009955000000000 ] - [ -0.0153528100000000, 0.0048764200000000, 0.0088721100000000 ] - [ 0.0043843900000000, 0.0020292300000000, -0.0013177900000000 ] - [ -0.0020990900000000, -0.0002161000000000, 0.0027824000000000 ] - [ 0.0050600300000000, -0.0162689000000000, 0.0018252100000000 ] - [ -0.0000915200000000, -0.0014242100000000, 0.0001349000000000 ] - [ -0.0000575900000000, -0.0021719500000000, 0.0001978200000000 ] - [ -0.0009082900000000, -0.0022932800000000, 0.0001003100000000 ] - [ 0.0025949200000000, -0.0057398200000000, -0.0003514000000000 ] - [ 0.0015939900000000, -0.0000599600000000, 0.0027665900000000 ] - [ 0.0027847300000000, -0.0052022900000000, -0.0029350000000000 ] - [ -0.0009795100000000, 0.0000136300000000, 0.0006164700000000 ] - [ -0.0026164900000000, -0.0151727900000000, -0.0021493900000000 ] - [ 0.0012003500000000, -0.0009264800000000, -0.0003939500000000 ] - [ -0.0021515900000000, 0.0023098300000000, 0.0013988800000000 ] - [ 0.0012625300000000, 0.0013252000000000, 0.0000443500000000 ] - [ -0.0045873300000000, 0.0239852200000000, 0.0140711400000000 ] - [ 0.0004545500000000, 0.0009351600000000, 0.0003703600000000 ] - [ -0.0004203100000000, -0.0006767300000000, 0.0011918900000000 ] - [ 0.0081803000000000, 0.0283520800000000, -0.0151234700000000 ] - [ -0.0022748600000000, -0.0040020900000000, -0.0004410200000000 ] - [ 0.0010984900000000, 0.0040214700000000, 0.0020052000000000 ] - [ -0.0128466000000000, -0.0098036400000000, -0.0030380500000000 ] - [ -0.0006637700000000, -0.0026124500000000, -0.0063504500000000 ] - [ 0.0055860000000000, 0.0163155200000000, 0.0184455500000000 ] - [ 0.0016569000000000, 0.0015378100000000, -0.0010840800000000 ] - [ -0.0007361000000000, -0.0010019200000000, -0.0002640400000000 ] - [ 0.0003396500000000, 0.0009396200000000, -0.0002640900000000 ] - [ -0.0022054200000000, 0.0032454000000000, -0.0005551000000000 ] - [ -0.0026741400000000, -0.0038562800000000, 0.0005790000000000 ] - [ -0.0032333600000000, -0.0022596800000000, 0.0021358000000000 ] - [ -0.0048666300000000, -0.0074258200000000, 0.0003886700000000 ] - [ 0.0009261300000000, 0.0026899500000000, 0.0010026100000000 ] - [ -0.0072272000000000, -0.0015891900000000, -0.0015764700000000 ] - [ -0.1734970300000000, 0.1166855900000000, -0.0090617100000000 ] - [ 0.0001684300000000, 0.0005325900000000, -0.0006721800000000 ] - [ -0.0011661400000000, -0.0008294000000000, -0.0001760900000000 ] - [ 0.0006472600000000, -0.0068660000000000, 0.0039437500000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0056306700000000, -0.0069737300000000, -0.0050248700000000 ] - [ 0.0001320200000000, -0.0014153500000000, -0.0000185100000000 ] - [ 0.0043126900000000, -0.0024511700000000, 0.0030842700000000 ] - [ 0.0007213300000000, 0.0030374400000000, 0.0014670200000000 ] - [ -0.3071970400000000, 0.3976374200000000, -0.0274261500000000 ] - [ -0.0006222800000000, -0.0053819000000000, 0.0013901500000000 ] - [ 0.0044615800000000, 0.0081714600000000, -0.0059636300000000 ] - [ -0.0005975100000000, -0.0288847700000000, -0.0021391500000000 ] - [ 0.0033923700000000, -0.0065951000000000, 0.0008359600000000 ] - [ 0.0042207800000000, -0.0099775800000000, 0.0038381500000000 ] - [ 0.0013048400000000, 0.0045484000000000, -0.0015287800000000 ] - [ -0.0004218700000000, 0.0113143700000000, 0.0025116000000000 ] - [ -0.0047436600000000, 0.0100221800000000, 0.0071530400000000 ] - [ -0.0209930500000000, -0.0383853300000000, 0.0397981400000000 ] - [ -0.0182863200000000, 0.0058112700000000, -0.0261068600000000 ] - [ -0.0097705700000000, -0.0070574100000000, -0.0042258400000000 ] - [ 0.0031521900000000, -0.0383604800000000, -0.0264212900000000 ] - [ -0.0404770800000000, -0.0306609500000000, 0.0218585900000000 ] - [ 0.0065579000000000, -0.0106854400000000, 0.0083592500000000 ] - [ -0.0001100600000000, 0.0055570100000000, 0.0005359200000000 ] - [ -0.0085630700000000, -0.0021636400000000, 0.0005124600000000 ] - [ -0.0022889500000000, -0.0079267300000000, -0.0058350700000000 ] - [ -0.0013920500000000, 0.0000662300000000, 0.0001956800000000 ] - [ -0.0022278600000000, -0.0010183700000000, 0.0017595400000000 ] - [ -0.0031935300000000, 0.0074976000000000, -0.0157754400000000 ] - [ 0.1704561800000000, -0.1161192200000000, 0.0171232400000000 ] - [ 0.0057983900000000, 0.0079606500000000, 0.0059379000000000 ] - [ 0.0026124100000000, 0.0029246300000000, 0.0005976500000000 ] - [ 0.0010455400000000, 0.0047173300000000, 0.0032554300000000 ] - [ 0.0001801900000000, -0.0018956200000000, 0.0023085000000000 ] - [ -0.0002481400000000, -0.0020952000000000, 0.0000922000000000 ] - [ -0.0039282200000000, -0.0329955000000000, 0.0125494100000000 ] - [ -0.0004448300000000, -0.0007799800000000, -0.0005889900000000 ] - [ 0.0036327400000000, -0.0105586000000000, 0.0075485800000000 ] - [ 0.0116185100000000, -0.0030495800000000, -0.0109011200000000 ] - [ -0.0043171400000000, 0.0041545900000000, -0.0015540400000000 ] - [ 0.0009795300000000, -0.0014306100000000, -0.0014036000000000 ] - [ -0.0038722900000000, 0.0028419900000000, 0.0097930100000000 ] - [ 0.0004273900000000, -0.0001123900000000, -0.0000196100000000 ] - [ -0.0018580100000000, 0.0100255200000000, -0.0086186400000000 ] - [ 0.0007008300000000, 0.0000389100000000, -0.0001023300000000 ] - [ 0.0020900300000000, 0.0000630600000000, 0.0017212900000000 ] - [ 0.0035530000000000, 0.0027593700000000, 0.0014365900000000 ] - [ 0.0145645200000000, -0.0041507500000000, -0.0084199100000000 ] - [ -0.0028619200000000, -0.0039556000000000, 0.0008416900000000 ] - [ 0.0024002100000000, -0.0002956400000000, -0.0015918600000000 ] - [ -0.0052035100000000, 0.0160539100000000, -0.0018288900000000 ] - [ -0.0001758800000000, 0.0002811300000000, -0.0000254900000000 ] - [ -0.0015017300000000, 0.0002706900000000, -0.0006633400000000 ] - [ 0.0011703000000000, 0.0011445800000000, -0.0002171000000000 ] - [ -0.0012960700000000, 0.0057162700000000, -0.0008151300000000 ] - [ -0.0016937000000000, 0.0003205400000000, -0.0025944000000000 ] - [ -0.0020274200000000, 0.0044890000000000, 0.0025022100000000 ] - [ -0.0003348200000000, 0.0000165000000000, 0.0006196700000000 ] - [ 0.0026364300000000, 0.0159507200000000, 0.0016254200000000 ] - [ -0.0009499400000000, 0.0020723000000000, 0.0005098000000000 ] - [ 0.0024628100000000, -0.0018394700000000, -0.0002235900000000 ] - [ 0.0002712800000000, 0.0005975300000000, 0.0004263400000000 ] - [ 0.0030811800000000, -0.0242832500000000, -0.0161707700000000 ] - [ -0.0020289800000000, 0.0009549100000000, 0.0000993800000000 ] - [ 0.0004253700000000, 0.0014749400000000, -0.0007081500000000 ] - [ -0.0089537900000000, -0.0300146500000000, 0.0167212600000000 ] - [ 0.0015774700000000, 0.0046776900000000, 0.0000513700000000 ] - [ -0.0018634400000000, -0.0047370700000000, -0.0024384900000000 ] - [ 0.0124919800000000, 0.0102881900000000, 0.0042174800000000 ] - [ 0.0007741700000000, 0.0027914200000000, 0.0064194900000000 ] - [ -0.0053725000000000, -0.0149854400000000, -0.0178343000000000 ] - [ -0.0031891100000000, 0.0003830200000000, 0.0006116900000000 ] - [ 0.0008509700000000, 0.0007915900000000, 0.0001500100000000 ] - [ -0.0004633400000000, -0.0007454900000000, 0.0001653300000000 ] - [ 0.0029816100000000, -0.0039715600000000, 0.0009970500000000 ] - [ 0.0019207100000000, 0.0031516200000000, -0.0001489300000000 ] - [ 0.0019187200000000, 0.0022427700000000, -0.0009243000000000 ] - [ 0.0046420500000000, 0.0086370300000000, -0.0005003900000000 ] - [ -0.0009224100000000, -0.0035036900000000, -0.0005346900000000 ] - [ 0.0068986900000000, 0.0020528200000000, 0.0003948100000000 ] - [ 0.1765237900000000, -0.1187065300000000, 0.0097396800000000 ] - [ -0.0003897100000000, -0.0016966200000000, 0.0005564800000000 ] - [ 0.0008628800000000, 0.0003334800000000, 0.0013622800000000 ] - [ -0.0006545000000000, 0.0060183200000000, -0.0043814000000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0032272800000000, 0.0033386400000000, -0.0013925400000000 ] - [ -0.0009478400000000, 0.0002269200000000, 0.0010794500000000 ] - [ 0.0019428300000000, -0.0023412900000000, -0.0006889200000000 ] - [ 0.0032668700000000, -0.0013946800000000, 0.0046881300000000 ] - [ -0.0436904600000000, 0.0270843800000000, -0.2395699600000000 ] - [ 0.0001175400000000, 0.0009924100000000, 0.0027692500000000 ] - [ -0.0034168100000000, -0.0055366500000000, 0.0221198000000000 ] - [ -0.0024350800000000, 0.0017449900000000, -0.0179118700000000 ] - [ 0.0028929100000000, -0.0004188100000000, -0.0016906900000000 ] - [ -0.0015363400000000, 0.0042104700000000, 0.0157944500000000 ] - [ 0.0007632800000000, 0.0019275000000000, -0.0019509000000000 ] - [ -0.0064986700000000, 0.0021165600000000, 0.0047359900000000 ] - [ -0.0055585100000000, 0.0037972800000000, 0.0093492900000000 ] - [ -0.0166895800000000, -0.0318103200000000, 0.0344781900000000 ] - [ 0.0346593300000000, 0.0086979900000000, 0.0553407500000000 ] - [ -0.0050205300000000, -0.0019751200000000, -0.0061259600000000 ] - [ -0.0073688800000000, 0.0546466800000000, 0.0248268400000000 ] - [ -0.0250039800000000, -0.0235367400000000, 0.0094128900000000 ] - [ 0.0058886800000000, -0.0040820700000000, 0.0028032800000000 ] - [ 0.0006806500000000, -0.0006521500000000, -0.0059033800000000 ] - [ 0.0060803300000000, 0.0087747200000000, -0.0103845300000000 ] - [ 0.0047248100000000, 0.0050617800000000, 0.0087664400000000 ] - [ 0.0019156800000000, -0.0024881200000000, 0.0050171400000000 ] - [ -0.0018839400000000, -0.0001429500000000, 0.0051606700000000 ] - [ -0.0032793900000000, 0.0071315600000000, -0.0157774200000000 ] - [ 0.0323836000000000, -0.0149675800000000, 0.0330943100000000 ] - [ -0.0073510500000000, -0.0112349400000000, -0.0088886200000000 ] - [ 0.0027042800000000, 0.0000047800000000, 0.0016371700000000 ] - [ 0.0006387400000000, 0.0018546000000000, 0.0031453900000000 ] - [ 0.0016872800000000, -0.0005813600000000, 0.0036354300000000 ] - [ -0.0033289500000000, -0.0016797400000000, 0.0003834000000000 ] - [ -0.0027955700000000, -0.0130814100000000, 0.0153915100000000 ] - [ 0.0001319800000000, 0.0007871100000000, -0.0001754800000000 ] - [ -0.0056833700000000, 0.0094971700000000, -0.0184639900000000 ] - [ 0.0084776600000000, -0.0021295900000000, -0.0089977900000000 ] - [ -0.0023373900000000, 0.0026418400000000, -0.0000457200000000 ] - [ 0.0011941200000000, -0.0022704900000000, -0.0032220000000000 ] - [ 0.0070354300000000, -0.0045427700000000, -0.0157280600000000 ] - [ -0.0001937200000000, 0.0026142900000000, -0.0030652700000000 ] - [ -0.0015224700000000, 0.0059997400000000, -0.0051997100000000 ] - [ 0.0001201700000000, -0.0001181100000000, -0.0014798100000000 ] - [ 0.0014058700000000, -0.0014363700000000, 0.0029537400000000 ] - [ -0.0015250700000000, -0.0020271000000000, 0.0007394700000000 ] - [ 0.0072604900000000, 0.0000497800000000, -0.0037648100000000 ] - [ 0.0054345700000000, -0.0001901700000000, -0.0016593200000000 ] - [ 0.0028616800000000, 0.0011076800000000, -0.0031630700000000 ] - [ 0.0063847900000000, -0.0173695000000000, 0.0078498300000000 ] - [ 0.0003874000000000, -0.0006142200000000, 0.0002259100000000 ] - [ -0.0008890600000000, -0.0008314300000000, -0.0005135000000000 ] - [ -0.0005357600000000, -0.0012636600000000, -0.0016527800000000 ] - [ -0.0018097900000000, 0.0034546100000000, 0.0027268300000000 ] - [ -0.0015265800000000, -0.0000052300000000, -0.0029000900000000 ] - [ 0.0013187300000000, -0.0032716800000000, -0.0036653800000000 ] - [ -0.0003194800000000, 0.0000452300000000, -0.0014778700000000 ] - [ 0.0027078700000000, 0.0119049300000000, 0.0005815900000000 ] - [ 0.0007636300000000, 0.0002510200000000, -0.0003241500000000 ] - [ -0.0018513200000000, 0.0007308300000000, 0.0039548000000000 ] - [ 0.0007392100000000, 0.0015649600000000, -0.0012838000000000 ] - [ -0.0016773100000000, 0.0202166000000000, 0.0283477800000000 ] - [ -0.0006063700000000, 0.0008647700000000, -0.0015083500000000 ] - [ 0.0001961300000000, 0.0011443700000000, -0.0016223400000000 ] - [ -0.0108247900000000, -0.0202271000000000, 0.0226286300000000 ] - [ 0.0009207000000000, -0.0053227600000000, 0.0052047000000000 ] - [ -0.0003394600000000, -0.0023363700000000, -0.0048403900000000 ] - [ 0.0082682200000000, 0.0075272700000000, 0.0052369300000000 ] - [ 0.0013025800000000, -0.0109969000000000, -0.0174122200000000 ] - [ 0.0133643400000000, 0.0104430200000000, 0.0409357400000000 ] - [ 0.0006319700000000, 0.0011229800000000, 0.0000301700000000 ] - [ -0.0005674300000000, -0.0006295900000000, -0.0021557400000000 ] - [ -0.0008863900000000, -0.0011649600000000, 0.0025751200000000 ] - [ 0.0021588700000000, -0.0016873200000000, -0.0003096200000000 ] - [ -0.0027658300000000, -0.0024170400000000, -0.0002168400000000 ] - [ 0.0002482200000000, 0.0006182500000000, 0.0016754200000000 ] - [ -0.0021923200000000, -0.0003572000000000, 0.0024617000000000 ] - [ -0.0001260500000000, 0.0009039400000000, 0.0029160000000000 ] - [ -0.0128310500000000, -0.0068284500000000, -0.0003442900000000 ] - [ 0.0193508000000000, -0.0116768900000000, 0.0297028200000000 ] - [ 0.0016682600000000, -0.0012880800000000, -0.0038380100000000 ] - [ -0.0029623500000000, 0.0010986700000000, -0.0027472100000000 ] - [ -0.0006742600000000, 0.0007265900000000, -0.0023145800000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0032467500000000, -0.0037680800000000, 0.0014371100000000 ] - [ 0.0009356900000000, 0.0002084200000000, -0.0010859300000000 ] - [ -0.0019308700000000, 0.0018956600000000, 0.0007286200000000 ] - [ -0.0032289900000000, 0.0018102800000000, -0.0046771700000000 ] - [ 0.0446344900000000, -0.0262611300000000, 0.2378776900000000 ] - [ 0.0000453700000000, -0.0006544300000000, -0.0016129500000000 ] - [ 0.0031940900000000, 0.0052380700000000, -0.0232838800000000 ] - [ 0.0022298400000000, -0.0013871400000000, 0.0167673000000000 ] - [ -0.0030892400000000, 0.0000955100000000, 0.0028019500000000 ] - [ 0.0017514700000000, -0.0045962800000000, -0.0169677900000000 ] - [ -0.0005684500000000, -0.0022764600000000, 0.0030531800000000 ] - [ 0.0063351000000000, -0.0017420200000000, -0.0035380400000000 ] - [ 0.0054721300000000, -0.0034883300000000, -0.0093892200000000 ] - [ 0.0169084900000000, 0.0314843000000000, -0.0344650000000000 ] - [ -0.0347023000000000, -0.0086745700000000, -0.0556484300000000 ] - [ 0.0052912500000000, 0.0021970900000000, 0.0060467000000000 ] - [ 0.0070623000000000, -0.0543540500000000, -0.0245947100000000 ] - [ 0.0249629100000000, 0.0231632000000000, -0.0092858900000000 ] - [ -0.0061338100000000, 0.0043094200000000, -0.0026462200000000 ] - [ -0.0010007000000000, 0.0009112100000000, 0.0058296400000000 ] - [ -0.0061591400000000, -0.0091204300000000, 0.0104848700000000 ] - [ -0.0046557000000000, -0.0046872400000000, -0.0087442800000000 ] - [ -0.0015937400000000, 0.0022474800000000, -0.0051127700000000 ] - [ 0.0015646300000000, -0.0000882100000000, -0.0052616600000000 ] - [ 0.0019791600000000, -0.0071020200000000, 0.0145811000000000 ] - [ -0.0313070400000000, 0.0156773100000000, -0.0327649700000000 ] - [ 0.0076021900000000, 0.0106904200000000, 0.0076826900000000 ] - [ -0.0011784800000000, -0.0019187600000000, -0.0011689000000000 ] - [ -0.0006400500000000, -0.0026750500000000, -0.0026858900000000 ] - [ -0.0003648200000000, 0.0005568500000000, -0.0024320600000000 ] - [ 0.0035230400000000, 0.0005091000000000, -0.0002533900000000 ] - [ 0.0039427400000000, 0.0144594700000000, -0.0160418700000000 ] - [ -0.0003417100000000, 0.0003787300000000, 0.0002861700000000 ] - [ 0.0057473500000000, -0.0103623300000000, 0.0181162300000000 ] - [ -0.0087667800000000, 0.0016340100000000, 0.0078425900000000 ] - [ 0.0038332900000000, -0.0007131200000000, -0.0004100400000000 ] - [ -0.0012913400000000, 0.0020248700000000, 0.0030856900000000 ] - [ -0.0057047700000000, 0.0045171000000000, 0.0144721400000000 ] - [ 0.0001803400000000, -0.0017790900000000, 0.0035169300000000 ] - [ 0.0017773200000000, -0.0054545400000000, 0.0039598000000000 ] - [ 0.0011979500000000, 0.0001440900000000, 0.0027226800000000 ] - [ -0.0013026800000000, 0.0016821900000000, -0.0030983700000000 ] - [ 0.0023288900000000, 0.0027698700000000, -0.0003020900000000 ] - [ -0.0080038500000000, 0.0006750900000000, 0.0041706700000000 ] - [ -0.0039818400000000, -0.0017498900000000, 0.0011841900000000 ] - [ -0.0025478000000000, -0.0016019200000000, 0.0043496200000000 ] - [ -0.0064430900000000, 0.0170214000000000, -0.0076500000000000 ] - [ -0.0005919200000000, -0.0005592400000000, -0.0001031800000000 ] - [ -0.0006299500000000, -0.0010877800000000, 0.0000391500000000 ] - [ 0.0007581400000000, 0.0000985500000000, 0.0015355100000000 ] - [ 0.0031347900000000, -0.0034712800000000, -0.0039997300000000 ] - [ 0.0014113300000000, 0.0002296700000000, 0.0030235800000000 ] - [ -0.0005600800000000, 0.0025415300000000, 0.0032265000000000 ] - [ -0.0010065200000000, -0.0000092600000000, 0.0027349700000000 ] - [ -0.0027130500000000, -0.0111089500000000, -0.0010212100000000 ] - [ -0.0005346200000000, 0.0009082800000000, 0.0004353100000000 ] - [ 0.0021665400000000, -0.0002607500000000, -0.0028104000000000 ] - [ 0.0007996400000000, 0.0003513100000000, 0.0017540300000000 ] - [ -0.0001847400000000, -0.0218015300000000, -0.0317670600000000 ] - [ -0.0009183600000000, 0.0010629600000000, 0.0019816300000000 ] - [ -0.0001882500000000, -0.0003050400000000, 0.0020834000000000 ] - [ 0.0102977400000000, 0.0187401000000000, -0.0217349300000000 ] - [ -0.0016849000000000, 0.0060717700000000, -0.0056780200000000 ] - [ -0.0003935000000000, 0.0016264600000000, 0.0044122600000000 ] - [ -0.0085123000000000, -0.0069880600000000, -0.0040506700000000 ] - [ -0.0011899400000000, 0.0112851400000000, 0.0175891400000000 ] - [ -0.0127957500000000, -0.0081310400000000, -0.0392927700000000 ] - [ -0.0021253000000000, 0.0008165400000000, -0.0004899100000000 ] - [ 0.0006642100000000, 0.0003890600000000, 0.0020090600000000 ] - [ 0.0007853900000000, 0.0013854300000000, -0.0027014000000000 ] - [ -0.0013509300000000, 0.0009346900000000, 0.0007805500000000 ] - [ 0.0019694300000000, 0.0016681900000000, 0.0006746600000000 ] - [ -0.0015582500000000, -0.0006303600000000, -0.0004604000000000 ] - [ 0.0019645800000000, 0.0015133200000000, -0.0025832500000000 ] - [ 0.0001273600000000, -0.0017410700000000, -0.0024586400000000 ] - [ 0.0126155100000000, 0.0073822100000000, -0.0008674700000000 ] - [ -0.0220192300000000, 0.0102927200000000, -0.0296030200000000 ] - [ -0.0018580600000000, 0.0000999200000000, 0.0037083500000000 ] - [ 0.0026498200000000, -0.0015922700000000, 0.0039207500000000 ] - [ 0.0006615700000000, -0.0015572500000000, 0.0018371500000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0021488600000000, -0.0002189300000000, -0.0000668300000000 ] - [ -0.0038490200000000, 0.0002084900000000, -0.0011447600000000 ] - [ -0.0024436500000000, -0.0002173400000000, 0.0010527700000000 ] - [ 0.0064764200000000, 0.0002283800000000, -0.0013869900000000 ] - [ 0.0060898800000000, 0.0049210400000000, -0.0060970600000000 ] - [ -0.0025729400000000, 0.0024649500000000, -0.0041182300000000 ] - [ 0.0246919900000000, 0.0405364000000000, 0.0244456300000000 ] - [ -0.0027879000000000, -0.0021379500000000, -0.0052564700000000 ] - [ 0.0075001700000000, 0.0083130100000000, 0.0066439500000000 ] - [ 0.0077501500000000, -0.0087427800000000, 0.0055924900000000 ] - [ 0.0249304300000000, -0.0407385900000000, 0.0255070400000000 ] - [ 0.0058595900000000, -0.0045466800000000, -0.0049314500000000 ] - [ -0.7135584500000000, -0.0083747200000000, -0.1056219700000000 ] - [ 0.0368369100000000, -0.0293347000000000, -0.0300647400000000 ] - [ -0.0034507900000000, -0.0089141700000000, 0.0094221800000000 ] - [ 0.0051284300000000, -0.0024991800000000, 0.0062406700000000 ] - [ 0.0094154100000000, 0.0034465400000000, -0.0067422300000000 ] - [ 0.0082898100000000, -0.0001461600000000, 0.0021470800000000 ] - [ 0.0048573700000000, 0.0026537200000000, 0.0063240600000000 ] - [ -0.0036781200000000, 0.0091987000000000, 0.0092874000000000 ] - [ -0.0091236300000000, -0.0001515900000000, 0.0017001500000000 ] - [ 0.0114870100000000, 0.0001281800000000, 0.0006619000000000 ] - [ 0.0097028100000000, -0.0036286900000000, -0.0068919000000000 ] - [ 0.0366373300000000, 0.0288478200000000, -0.0298281800000000 ] - [ -0.0098479900000000, 0.0080400500000000, -0.0028982000000000 ] - [ 0.0019997100000000, -0.0005449800000000, 0.0004485000000000 ] - [ -0.0056464600000000, -0.0024324900000000, -0.0017114400000000 ] - [ 0.0041903100000000, 0.0008807500000000, 0.0002148400000000 ] - [ -0.0012419900000000, -0.0001355200000000, -0.0013436300000000 ] - [ -0.0001030200000000, -0.0010351900000000, -0.0020110600000000 ] - [ -0.0091685500000000, -0.0023137800000000, -0.0000859400000000 ] - [ -0.0030785700000000, -0.0016990100000000, 0.0008770300000000 ] - [ 0.0017330500000000, 0.0016834900000000, 0.0005553100000000 ] - [ -0.0002205300000000, 0.0054526700000000, -0.0096206900000000 ] - [ 0.0617609700000000, -0.0407137900000000, -0.0441414600000000 ] - [ -0.0035911000000000, 0.0021047100000000, -0.0005053600000000 ] - [ -0.0063201800000000, 0.0026601500000000, 0.0087733600000000 ] - [ -0.0043214500000000, -0.0048352600000000, 0.0080345300000000 ] - [ -0.0024630000000000, 0.0009749000000000, 0.0024021200000000 ] - [ -0.0042153600000000, 0.0017447600000000, -0.0032506000000000 ] - [ -0.0085908400000000, -0.0079520000000000, -0.0018082600000000 ] - [ -0.0037472500000000, 0.0064518900000000, -0.0062291100000000 ] - [ 0.0037479200000000, 0.0017727900000000, 0.0014865900000000 ] - [ -0.0037905400000000, 0.0023434600000000, 0.0012764700000000 ] - [ -0.0031771000000000, -0.0021004400000000, -0.0000829700000000 ] - [ 0.0623273800000000, 0.0395618700000000, -0.0421142800000000 ] - [ -0.0006630800000000, -0.0014331600000000, 0.0023586700000000 ] - [ 0.0018317100000000, -0.0016547100000000, -0.0003882900000000 ] - [ 0.0026338800000000, -0.0027787000000000, -0.0002531400000000 ] - [ 0.0021007800000000, 0.0005271700000000, -0.0005014400000000 ] - [ 0.0007324300000000, -0.0004594600000000, -0.0023447700000000 ] - [ -0.0038746500000000, -0.0062481500000000, -0.0061325600000000 ] - [ -0.0044258300000000, 0.0022331000000000, 0.0014611100000000 ] - [ -0.0055952400000000, 0.0048434300000000, 0.0092525200000000 ] - [ -0.0021916200000000, 0.0089351600000000, 0.0063812600000000 ] - [ -0.0012762900000000, 0.0008260700000000, 0.0004982500000000 ] - [ 0.0058887200000000, -0.0031203500000000, -0.0022660000000000 ] - [ 0.0093549800000000, -0.0069895500000000, -0.0011888100000000 ] - [ -0.0013481800000000, 0.0010220400000000, -0.0031598600000000 ] - [ -0.0051392300000000, -0.0001994700000000, -0.0000411600000000 ] - [ -0.0022441400000000, -0.0082444000000000, 0.0068998300000000 ] - [ -0.0061414600000000, -0.0028076700000000, 0.0088690400000000 ] - [ 0.0030261200000000, -0.0011171400000000, 0.0010792600000000 ] - [ 0.2538846700000000, 0.1272930400000000, 0.1001113900000000 ] - [ -0.0045384800000000, -0.0012186200000000, -0.0020233200000000 ] - [ -0.0001412600000000, 0.0027441300000000, -0.0030159800000000 ] - [ -0.0024600900000000, -0.0002655300000000, 0.0018805700000000 ] - [ 0.0078825100000000, 0.0089105300000000, -0.0016572600000000 ] - [ -0.0005174200000000, 0.0012750400000000, 0.0023086400000000 ] - [ -0.0003005400000000, -0.0026118400000000, -0.0030266000000000 ] - [ 0.2440212200000000, -0.1186207800000000, 0.0935544100000000 ] - [ -0.0051276300000000, -0.0028572800000000, 0.0018573200000000 ] - [ -0.0005205300000000, 0.0004701200000000, -0.0011993300000000 ] - [ -0.0015179100000000, 0.0003304000000000, 0.0003875900000000 ] - [ -0.0002080200000000, -0.0062552600000000, -0.0091425900000000 ] - [ 0.0055708700000000, 0.0036306500000000, -0.0034968100000000 ] - [ -0.0047348100000000, 0.0001964900000000, 0.0003897700000000 ] - [ -0.0093247600000000, 0.0010826900000000, -0.0002341100000000 ] - [ -0.0059759000000000, 0.0019216400000000, -0.0004832600000000 ] - [ -0.0012342700000000, -0.0005643800000000, -0.0018746100000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0003083500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0070322900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0004361500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0028854900000000, 0.0000000000000000 ] - [ -0.0011027200000000, -0.0096622700000000, 0.0030503200000000 ] - [ 0.0014537000000000, 0.0082726100000000, -0.0042836700000000 ] - [ 0.0270078600000000, 0.0303042400000000, 0.0227786500000000 ] - [ -0.0014537000000000, 0.0082726100000000, 0.0042836700000000 ] - [ 0.0074670700000000, 0.0018886100000000, 0.0095120500000000 ] - [ -0.0074670700000000, 0.0018886100000000, -0.0095120500000000 ] - [ -0.0270078600000000, 0.0303042400000000, -0.0227786500000000 ] - [ 0.0011027200000000, -0.0096622700000000, -0.0030503200000000 ] - [ 0.0000000000000000, -0.5687657900000000, 0.0000000000000000 ] - [ -0.0584689500000000, 0.0250257700000000, 0.0251063100000000 ] - [ 0.0004441300000000, -0.0125577800000000, 0.0041940500000000 ] - [ -0.0015545600000000, 0.0068834700000000, -0.0048438200000000 ] - [ 0.0055406000000000, 0.0024317000000000, -0.0091662500000000 ] - [ 0.0000000000000000, -0.0010410100000000, 0.0000000000000000 ] - [ 0.0015545600000000, 0.0068834700000000, 0.0048438200000000 ] - [ -0.0004441300000000, -0.0125577800000000, -0.0041940500000000 ] - [ 0.0000000000000000, -0.0020888200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0067935100000000, 0.0000000000000000 ] - [ -0.0055406000000000, 0.0024317000000000, 0.0091662500000000 ] - [ 0.0584689500000000, 0.0250257700000000, -0.0251063100000000 ] - [ 0.0143672600000000, -0.0029011000000000, 0.0080058300000000 ] - [ -0.0023070200000000, 0.0022701700000000, -0.0000828000000000 ] - [ -0.0015272600000000, -0.0023835200000000, -0.0007013700000000 ] - [ -0.0005777100000000, -0.0026458300000000, 0.0002153000000000 ] - [ 0.0001457500000000, -0.0039786000000000, -0.0011739200000000 ] - [ 0.0015179800000000, 0.0016058300000000, 0.0029149800000000 ] - [ 0.0071042000000000, 0.0004449800000000, 0.0006370900000000 ] - [ 0.0008149700000000, 0.0012166700000000, -0.0006653100000000 ] - [ 0.0023070200000000, 0.0022701700000000, 0.0000828000000000 ] - [ -0.0010011200000000, 0.0070425200000000, -0.0084337600000000 ] - [ -0.0303693100000000, 0.1072486800000000, 0.0811673900000000 ] - [ -0.0001115300000000, 0.0018974200000000, -0.0008103400000000 ] - [ -0.0162984900000000, 0.0097468900000000, 0.0152444400000000 ] - [ -0.0042825100000000, -0.0042059300000000, 0.0067733300000000 ] - [ 0.0007431400000000, 0.0021583700000000, -0.0037813000000000 ] - [ -0.0004752300000000, -0.0001258400000000, -0.0014292300000000 ] - [ -0.0143672600000000, -0.0029011000000000, -0.0080058300000000 ] - [ 0.0031214200000000, -0.0064989300000000, 0.0056496200000000 ] - [ 0.0006507200000000, 0.0006382100000000, 0.0010370800000000 ] - [ -0.0008149700000000, 0.0012166700000000, 0.0006653100000000 ] - [ -0.0000729300000000, -0.0001923100000000, 0.0000351000000000 ] - [ 0.0303693100000000, 0.1072486800000000, -0.0811673900000000 ] - [ 0.0006924700000000, -0.0037985600000000, 0.0039939500000000 ] - [ -0.0042209400000000, -0.0021235000000000, -0.0013518800000000 ] - [ 0.0005777100000000, -0.0026458300000000, -0.0002153000000000 ] - [ 0.0042209400000000, -0.0021235000000000, 0.0013518800000000 ] - [ 0.0012682700000000, -0.0018467500000000, -0.0032325500000000 ] - [ -0.0031214200000000, -0.0064989300000000, -0.0056496200000000 ] - [ 0.0019103500000000, -0.0037212100000000, -0.0012034200000000 ] - [ 0.0042825100000000, -0.0042059300000000, -0.0067733300000000 ] - [ 0.0048434000000000, -0.0102655300000000, -0.0084374900000000 ] - [ -0.0001863900000000, 0.0000191600000000, 0.0005345800000000 ] - [ -0.0019256600000000, 0.0029003200000000, 0.0011555400000000 ] - [ 0.0002338300000000, -0.0038518700000000, -0.0023592100000000 ] - [ -0.0015179800000000, 0.0016058300000000, -0.0029149800000000 ] - [ 0.0001115300000000, 0.0018974200000000, 0.0008103400000000 ] - [ -0.0048434000000000, -0.0102655300000000, 0.0084374900000000 ] - [ 0.0162984900000000, 0.0097468900000000, -0.0152444400000000 ] - [ -0.0006507200000000, 0.0006382100000000, -0.0010370800000000 ] - [ 0.1374219800000000, 0.1336031800000000, 0.0666626600000000 ] - [ 0.0004752300000000, -0.0001258400000000, 0.0014292300000000 ] - [ -0.0007415000000000, 0.0055745100000000, 0.0018056700000000 ] - [ -0.0007431400000000, 0.0021583700000000, 0.0037813000000000 ] - [ -0.0002338300000000, -0.0038518700000000, 0.0023592100000000 ] - [ -0.0006924700000000, -0.0037985600000000, -0.0039939500000000 ] - [ 0.0007415000000000, 0.0055745100000000, -0.0018056700000000 ] - [ -0.1374219800000000, 0.1336031800000000, -0.0666626600000000 ] - [ -0.0019103500000000, -0.0037212100000000, 0.0012034200000000 ] - [ -0.0012682700000000, -0.0018467500000000, 0.0032325500000000 ] - [ 0.0001863900000000, 0.0000191600000000, -0.0005345800000000 ] - [ 0.0010011200000000, 0.0070425200000000, 0.0084337600000000 ] - [ 0.0019256600000000, 0.0029003200000000, -0.0011555400000000 ] - [ 0.0000729300000000, -0.0001923100000000, -0.0000351000000000 ] - [ -0.0071042000000000, 0.0004449800000000, -0.0006370900000000 ] - [ 0.0015272600000000, -0.0023835200000000, 0.0007013700000000 ] - [ -0.0001457500000000, -0.0039786000000000, 0.0011739200000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0001196900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0066243800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0008707000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0033256500000000, 0.0000000000000000 ] - [ 0.0013086900000000, 0.0100183300000000, -0.0042167300000000 ] - [ -0.0012725700000000, -0.0079351200000000, 0.0054496800000000 ] - [ -0.0270559800000000, -0.0308096100000000, -0.0239143100000000 ] - [ 0.0012725700000000, -0.0079351200000000, -0.0054496800000000 ] - [ -0.0077289100000000, -0.0022175700000000, -0.0083953700000000 ] - [ 0.0077289100000000, -0.0022175700000000, 0.0083953700000000 ] - [ 0.0270559800000000, -0.0308096100000000, 0.0239143100000000 ] - [ -0.0013086900000000, 0.0100183300000000, 0.0042167300000000 ] - [ 0.0000000000000000, 0.5721833700000000, 0.0000000000000000 ] - [ 0.0589782700000000, -0.0253035600000000, -0.0253146100000000 ] - [ -0.0001580500000000, 0.0128213500000000, -0.0041025000000000 ] - [ 0.0018463600000000, -0.0066806400000000, 0.0047553500000000 ] - [ -0.0058301400000000, -0.0026662300000000, 0.0092576300000000 ] - [ 0.0000000000000000, 0.0006910100000000, 0.0000000000000000 ] - [ -0.0018463600000000, -0.0066806400000000, -0.0047553500000000 ] - [ 0.0001580500000000, 0.0128213500000000, 0.0041025000000000 ] - [ 0.0000000000000000, 0.0017705200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0064807700000000, 0.0000000000000000 ] - [ 0.0058301400000000, -0.0026662300000000, -0.0092576300000000 ] - [ -0.0589782700000000, -0.0253035600000000, 0.0253146100000000 ] - [ -0.0156693900000000, 0.0028941200000000, -0.0091401200000000 ] - [ 0.0026317900000000, -0.0011558800000000, -0.0000210900000000 ] - [ 0.0018152100000000, 0.0018895500000000, -0.0004815200000000 ] - [ 0.0022372300000000, 0.0007989900000000, 0.0002513400000000 ] - [ -0.0001410900000000, 0.0032038400000000, 0.0016886200000000 ] - [ -0.0002278600000000, -0.0016188800000000, -0.0017504200000000 ] - [ -0.0068072600000000, -0.0015403300000000, -0.0005450400000000 ] - [ -0.0001043000000000, -0.0005301500000000, 0.0002615500000000 ] - [ -0.0026317900000000, -0.0011558800000000, 0.0000210900000000 ] - [ 0.0009996400000000, -0.0078531400000000, 0.0079380200000000 ] - [ 0.0324595300000000, -0.1108025800000000, -0.0871363800000000 ] - [ 0.0017470100000000, -0.0000423600000000, 0.0003451600000000 ] - [ 0.0161531300000000, -0.0099245900000000, -0.0153361500000000 ] - [ 0.0055677000000000, 0.0042236100000000, -0.0079691100000000 ] - [ -0.0007383000000000, -0.0013592200000000, 0.0042827600000000 ] - [ 0.0007572200000000, 0.0006385200000000, 0.0002444800000000 ] - [ 0.0156693900000000, 0.0028941200000000, 0.0091401200000000 ] - [ -0.0030012600000000, 0.0067158900000000, -0.0057615600000000 ] - [ 0.0000662900000000, 0.0000322900000000, -0.0006343800000000 ] - [ 0.0001043000000000, -0.0005301500000000, -0.0002615500000000 ] - [ 0.0017189400000000, -0.0016686200000000, -0.0005017000000000 ] - [ -0.0324595300000000, -0.1108025800000000, 0.0871363800000000 ] - [ -0.0008164100000000, 0.0036087000000000, -0.0038960200000000 ] - [ 0.0039594100000000, 0.0010097300000000, 0.0014769500000000 ] - [ -0.0022372300000000, 0.0007989900000000, -0.0002513400000000 ] - [ -0.0039594100000000, 0.0010097300000000, -0.0014769500000000 ] - [ 0.0000246600000000, 0.0018539200000000, 0.0020665300000000 ] - [ 0.0030012600000000, 0.0067158900000000, 0.0057615600000000 ] - [ -0.0012108700000000, 0.0030586800000000, 0.0008063200000000 ] - [ -0.0055677000000000, 0.0042236100000000, 0.0079691100000000 ] - [ -0.0048465000000000, 0.0110203600000000, 0.0079622100000000 ] - [ 0.0005212900000000, 0.0010866500000000, -0.0004328000000000 ] - [ 0.0022195500000000, -0.0024100800000000, 0.0000289700000000 ] - [ 0.0013057700000000, 0.0057508800000000, 0.0028087900000000 ] - [ 0.0002278600000000, -0.0016188800000000, 0.0017504200000000 ] - [ -0.0017470100000000, -0.0000423600000000, -0.0003451600000000 ] - [ 0.0048465000000000, 0.0110203600000000, -0.0079622100000000 ] - [ -0.0161531300000000, -0.0099245900000000, 0.0153361500000000 ] - [ -0.0000662900000000, 0.0000322900000000, 0.0006343800000000 ] - [ -0.1327783400000000, -0.1326312100000000, -0.0643364000000000 ] - [ -0.0007572200000000, 0.0006385200000000, -0.0002444800000000 ] - [ 0.0008729000000000, -0.0054131400000000, -0.0017306600000000 ] - [ 0.0007383000000000, -0.0013592200000000, -0.0042827600000000 ] - [ -0.0013057700000000, 0.0057508800000000, -0.0028087900000000 ] - [ 0.0008164100000000, 0.0036087000000000, 0.0038960200000000 ] - [ -0.0008729000000000, -0.0054131400000000, 0.0017306600000000 ] - [ 0.1327783400000000, -0.1326312100000000, 0.0643364000000000 ] - [ 0.0012108700000000, 0.0030586800000000, -0.0008063200000000 ] - [ -0.0000246600000000, 0.0018539200000000, -0.0020665300000000 ] - [ -0.0005212900000000, 0.0010866500000000, 0.0004328000000000 ] - [ -0.0009996400000000, -0.0078531400000000, -0.0079380200000000 ] - [ -0.0022195500000000, -0.0024100800000000, -0.0000289700000000 ] - [ -0.0017189400000000, -0.0016686200000000, 0.0005017000000000 ] - [ 0.0068072600000000, -0.0015403300000000, 0.0005450400000000 ] - [ -0.0018152100000000, 0.0018895500000000, 0.0004815200000000 ] - [ 0.0001410900000000, 0.0032038400000000, -0.0016886200000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006372300000000, -0.0002186100000000, 0.0014054200000000 ] - [ 0.0002233500000000, 0.0002100700000000, -0.0028678700000000 ] - [ 0.0002798900000000, -0.0002141300000000, 0.0022494800000000 ] - [ -0.0000017700000000, 0.0002260000000000, -0.0019619500000000 ] - [ -0.0057699900000000, -0.0069565100000000, 0.0087960500000000 ] - [ -0.0015860900000000, -0.0056731300000000, 0.0093204600000000 ] - [ 0.0171456200000000, 0.0217875700000000, 0.0087169100000000 ] - [ -0.0017633100000000, 0.0060046800000000, 0.0081994800000000 ] - [ 0.0035950700000000, -0.0007196200000000, -0.0098602000000000 ] - [ 0.0038029200000000, 0.0003406500000000, -0.0110161100000000 ] - [ 0.0173013500000000, -0.0221313500000000, 0.0099713000000000 ] - [ -0.0060034900000000, 0.0073308500000000, 0.0099521500000000 ] - [ -0.1054770200000000, 0.0046738900000000, -0.5133045100000000 ] - [ -0.0698960900000000, 0.0297596800000000, 0.0225180400000000 ] - [ 0.0059070400000000, -0.0040027500000000, 0.0105532800000000 ] - [ 0.0005719000000000, -0.0020903900000000, 0.0052267800000000 ] - [ 0.0019994600000000, -0.0008381100000000, -0.0076207400000000 ] - [ -0.0021262000000000, -0.0001732400000000, 0.0033804800000000 ] - [ 0.0002659200000000, 0.0022964700000000, 0.0052921300000000 ] - [ 0.0055678100000000, 0.0042883600000000, 0.0104288400000000 ] - [ 0.0016771300000000, -0.0001886300000000, 0.0118780100000000 ] - [ -0.0006457300000000, 0.0001587000000000, -0.0016608300000000 ] - [ 0.0023137800000000, 0.0005949400000000, -0.0077343200000000 ] - [ -0.0703764000000000, -0.0302966300000000, 0.0225556200000000 ] - [ 0.0185617300000000, -0.0053126000000000, 0.0156864400000000 ] - [ 0.0006890600000000, 0.0013781300000000, -0.0017224100000000 ] - [ 0.0001864000000000, 0.0002227400000000, 0.0008049900000000 ] - [ -0.0001363000000000, -0.0017692300000000, -0.0005596200000000 ] - [ -0.0000492800000000, 0.0001232000000000, -0.0002710200000000 ] - [ -0.0019130800000000, 0.0005642200000000, -0.0058802300000000 ] - [ -0.0044030000000000, -0.0011741000000000, 0.0001307100000000 ] - [ 0.0020874200000000, 0.0020692400000000, -0.0021374700000000 ] - [ 0.0005278600000000, -0.0001903500000000, -0.0016013100000000 ] - [ -0.0022399600000000, 0.0021216800000000, -0.0054966700000000 ] - [ -0.0292074300000000, 0.0767765500000000, 0.1285913100000000 ] - [ 0.0021755700000000, 0.0003886700000000, 0.0007910000000000 ] - [ 0.0154367000000000, -0.0066408200000000, -0.0141911500000000 ] - [ -0.0019748900000000, -0.0023709200000000, 0.0059672700000000 ] - [ -0.0000567700000000, -0.0019138400000000, 0.0032224800000000 ] - [ -0.0001393200000000, 0.0005388500000000, -0.0021058900000000 ] - [ 0.0199243300000000, 0.0053642900000000, 0.0169373000000000 ] - [ -0.0018168700000000, 0.0038661300000000, -0.0037634400000000 ] - [ -0.0016944600000000, -0.0012850600000000, -0.0036526100000000 ] - [ 0.0012910600000000, -0.0013077900000000, -0.0016760400000000 ] - [ 0.0022561900000000, -0.0008621300000000, -0.0011186400000000 ] - [ -0.0321919800000000, -0.0829008300000000, 0.1346797800000000 ] - [ 0.0007922000000000, -0.0021305600000000, 0.0027052000000000 ] - [ -0.0035637600000000, -0.0004053500000000, 0.0009232000000000 ] - [ -0.0016281700000000, -0.0001712500000000, -0.0010260400000000 ] - [ -0.0033441000000000, -0.0007503600000000, 0.0008095900000000 ] - [ 0.0017122700000000, -0.0013690500000000, -0.0045101200000000 ] - [ -0.0018888700000000, -0.0035631900000000, -0.0035664500000000 ] - [ 0.0005899200000000, -0.0007036900000000, 0.0004292000000000 ] - [ -0.0033263300000000, 0.0024211100000000, 0.0072610200000000 ] - [ 0.0082780500000000, -0.0155538900000000, -0.0120583300000000 ] - [ 0.0013807400000000, 0.0005611500000000, -0.0009206600000000 ] - [ 0.0003682400000000, -0.0018712900000000, -0.0043219900000000 ] - [ 0.0014809300000000, -0.0027663200000000, 0.0003526800000000 ] - [ -0.0032622500000000, -0.0006098800000000, -0.0071566700000000 ] - [ 0.0006637400000000, 0.0015386600000000, 0.0012623300000000 ] - [ 0.0082215200000000, 0.0163176600000000, -0.0115447600000000 ] - [ 0.0154893900000000, 0.0063949500000000, -0.0140306900000000 ] - [ -0.0025018600000000, 0.0020567800000000, -0.0041163500000000 ] - [ 0.1046505800000000, 0.0677422000000000, 0.1015222700000000 ] - [ -0.0004271300000000, -0.0000392400000000, -0.0009372200000000 ] - [ -0.0033707300000000, 0.0030850600000000, -0.0011825500000000 ] - [ -0.0000552500000000, 0.0027783200000000, 0.0027765600000000 ] - [ 0.0000412600000000, 0.0047427800000000, -0.0001304400000000 ] - [ 0.0008825700000000, 0.0018752000000000, 0.0025536100000000 ] - [ -0.0034298800000000, -0.0028108500000000, -0.0013337100000000 ] - [ 0.1032596700000000, -0.0670697400000000, 0.1025746000000000 ] - [ -0.0002002700000000, -0.0000472500000000, 0.0008860700000000 ] - [ 0.0003740100000000, 0.0013460400000000, -0.0032585400000000 ] - [ 0.0011930800000000, 0.0006268200000000, -0.0010451500000000 ] - [ -0.0022109100000000, -0.0030523000000000, -0.0050936800000000 ] - [ 0.0000671400000000, 0.0023700400000000, -0.0055133300000000 ] - [ 0.0007799600000000, -0.0010911000000000, -0.0006471200000000 ] - [ -0.0045468600000000, -0.0000164600000000, 0.0000127800000000 ] - [ -0.0001044000000000, -0.0007115600000000, 0.0019767200000000 ] - [ -0.0000454200000000, -0.0009782300000000, -0.0007046700000000 ]- atom: 14 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0015514800000000, -0.0007248700000000, -0.0003812100000000 ] - [ -0.0010717800000000, 0.0018962200000000, -0.0015757900000000 ] - [ -0.0010353400000000, 0.0000634100000000, -0.0000717000000000 ] - [ 0.0053409300000000, 0.0033773700000000, 0.0011905700000000 ] - [ 0.0078091400000000, 0.0212392500000000, -0.0173703200000000 ] - [ 0.0013530500000000, 0.0017143000000000, -0.0011738900000000 ] - [ -0.0117520200000000, -0.0068440200000000, -0.0065680700000000 ] - [ -0.0094438800000000, 0.0034406600000000, 0.0066672400000000 ] - [ 0.0184141900000000, -0.0002363200000000, 0.0014106600000000 ] - [ 0.0054532100000000, -0.0186391000000000, 0.0341438700000000 ] - [ 0.0089843600000000, -0.0101109300000000, 0.0057322200000000 ] - [ 0.0047328300000000, -0.0018991100000000, -0.0011499300000000 ] - [ 0.0364505800000000, -0.0583926200000000, -0.0699562400000000 ] - [ -0.4550550400000000, -0.0762620000000000, -0.0542833200000000 ] - [ -0.0091014400000000, 0.0061424800000000, 0.0007214100000000 ] - [ 0.0031466700000000, -0.0003894800000000, 0.0018671900000000 ] - [ -0.0044320300000000, 0.0062031700000000, 0.0022132800000000 ] - [ 0.0049736000000000, 0.0015512800000000, -0.0004084000000000 ] - [ -0.0019512400000000, -0.0059527800000000, 0.0023648100000000 ] - [ 0.0036351200000000, -0.0000665600000000, 0.0051962500000000 ] - [ -0.0035342000000000, -0.0004570400000000, 0.0057315200000000 ] - [ 0.0095283600000000, -0.0055523500000000, -0.0021423500000000 ] - [ 0.0050817000000000, -0.0014248300000000, -0.0013878600000000 ] - [ 0.0172719100000000, 0.0073326900000000, -0.0066588700000000 ] - [ 0.1453488600000000, 0.0097181000000000, 0.1274316200000000 ] - [ 0.0050921700000000, -0.0032673900000000, 0.0013983300000000 ] - [ -0.0004141800000000, 0.0002334200000000, -0.0001306900000000 ] - [ 0.0010440400000000, -0.0013423900000000, 0.0002996000000000 ] - [ -0.0009858500000000, -0.0004274500000000, -0.0002630100000000 ] - [ -0.0009660000000000, 0.0002359500000000, -0.0014200900000000 ] - [ -0.0040557400000000, -0.0017089400000000, 0.0002492800000000 ] - [ -0.0026381500000000, -0.0028273500000000, 0.0017823000000000 ] - [ -0.0003863500000000, 0.0007325700000000, 0.0002708100000000 ] - [ 0.0018789600000000, -0.0042190400000000, 0.0026042000000000 ] - [ 0.1380635200000000, -0.0225325500000000, -0.0144291300000000 ] - [ -0.0085177000000000, 0.0043935900000000, 0.0001298700000000 ] - [ -0.0048102600000000, 0.0022042000000000, 0.0044061000000000 ] - [ 0.0030064900000000, 0.0003205800000000, -0.0032024000000000 ] - [ -0.0011018500000000, 0.0007595700000000, 0.0004443900000000 ] - [ -0.0009149800000000, 0.0010296800000000, -0.0010617300000000 ] - [ -0.0043551800000000, -0.0021187500000000, -0.0007802600000000 ] - [ -0.0015432500000000, 0.0021486200000000, -0.0020442000000000 ] - [ 0.0007458000000000, -0.0000601200000000, -0.0004473600000000 ] - [ -0.0024706600000000, 0.0013149500000000, 0.0011243500000000 ] - [ -0.0018698700000000, -0.0020652600000000, -0.0001730300000000 ] - [ -0.0179103000000000, -0.0051330300000000, 0.0205418100000000 ] - [ 0.0021644900000000, -0.0036851800000000, 0.0013472300000000 ] - [ -0.0070019600000000, -0.0003025000000000, -0.0007909000000000 ] - [ 0.0000608200000000, -0.0013396500000000, -0.0002038800000000 ] - [ 0.0097694600000000, 0.0046467900000000, 0.0000414900000000 ] - [ 0.0019798400000000, -0.0000020700000000, -0.0029537900000000 ] - [ 0.0013338000000000, 0.0030958800000000, 0.0013671600000000 ] - [ -0.0059920100000000, 0.0068124500000000, 0.0027744700000000 ] - [ -0.0028084900000000, 0.0013696300000000, 0.0031204300000000 ] - [ 0.0590677600000000, 0.0508236100000000, 0.0157962300000000 ] - [ -0.0015969100000000, 0.0011124000000000, 0.0002367200000000 ] - [ 0.0007499900000000, -0.0003324600000000, -0.0028249400000000 ] - [ 0.0018720700000000, 0.0016260200000000, 0.0009022600000000 ] - [ 0.0017839300000000, 0.0001749200000000, 0.0030731600000000 ] - [ -0.0069534200000000, -0.0015330100000000, -0.0013335800000000 ] - [ -0.0017266700000000, -0.0036186300000000, 0.0034195900000000 ] - [ 0.0735963800000000, 0.0594791300000000, -0.0674313100000000 ] - [ 0.0009781200000000, 0.0008827700000000, -0.0019842300000000 ] - [ 0.0154514600000000, 0.0228741300000000, 0.0214081400000000 ] - [ -0.0025001200000000, -0.0008214600000000, -0.0004396400000000 ] - [ 0.0047971200000000, -0.0063998400000000, -0.0058431900000000 ] - [ 0.0002519800000000, -0.0057703200000000, -0.0037963800000000 ] - [ -0.0000654900000000, 0.0023318100000000, -0.0006649100000000 ] - [ -0.0008001600000000, -0.0001150200000000, 0.0001951800000000 ] - [ -0.0029489900000000, -0.0010081800000000, -0.0010629700000000 ] - [ -0.0179059700000000, 0.0192098900000000, 0.0020030400000000 ] - [ -0.0041780600000000, -0.0014736000000000, 0.0018692500000000 ] - [ -0.0011129600000000, -0.0000551500000000, 0.0003577100000000 ] - [ 0.0048434400000000, 0.0045321800000000, 0.0001225700000000 ] - [ -0.0009055500000000, -0.0005753300000000, -0.0018947900000000 ] - [ 0.0040953900000000, 0.0016752100000000, -0.0027417100000000 ] - [ -0.0045260600000000, -0.0008279800000000, 0.0018046900000000 ] - [ 0.0038288100000000, -0.0031597200000000, -0.0008923300000000 ] - [ -0.0039584800000000, 0.0020795000000000, -0.0005072200000000 ] - [ -0.0002332700000000, 0.0048960200000000, -0.0053153700000000 ]- atom: 14 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015547200000000, 0.0002945900000000, 0.0003735200000000 ] - [ 0.0010814400000000, -0.0014795400000000, 0.0015872800000000 ] - [ 0.0010380300000000, -0.0004965100000000, 0.0000745800000000 ] - [ -0.0053102900000000, -0.0029150100000000, -0.0011662400000000 ] - [ -0.0077153800000000, -0.0208853900000000, 0.0162261600000000 ] - [ -0.0011581400000000, -0.0013790500000000, 0.0023254200000000 ] - [ 0.0115841900000000, 0.0065431200000000, 0.0054629900000000 ] - [ 0.0092289100000000, -0.0030652600000000, -0.0077669600000000 ] - [ -0.0186058000000000, -0.0001475800000000, -0.0002713000000000 ] - [ -0.0052955500000000, 0.0182864100000000, -0.0352075500000000 ] - [ -0.0087953400000000, 0.0097876800000000, -0.0045900800000000 ] - [ -0.0049466400000000, 0.0022599800000000, 0.0023014800000000 ] - [ -0.0370649700000000, 0.0590778100000000, 0.0703070200000000 ] - [ 0.4633222000000000, 0.0694473500000000, 0.0442267600000000 ] - [ 0.0094079300000000, -0.0059574300000000, -0.0005986600000000 ] - [ -0.0028690700000000, 0.0005732200000000, -0.0019811600000000 ] - [ 0.0041650700000000, -0.0064378100000000, -0.0021510300000000 ] - [ -0.0049783100000000, -0.0018875400000000, 0.0004133900000000 ] - [ 0.0016897600000000, 0.0061946400000000, -0.0022551700000000 ] - [ -0.0039300200000000, 0.0003356000000000, -0.0053456800000000 ] - [ 0.0035589400000000, 0.0001214100000000, -0.0057590900000000 ] - [ -0.0095548300000000, 0.0058502400000000, 0.0021593600000000 ] - [ -0.0048020900000000, 0.0012008400000000, 0.0012952400000000 ] - [ -0.0176127700000000, -0.0075838500000000, 0.0066284900000000 ] - [ -0.1439138700000000, -0.0096164300000000, -0.1219233900000000 ] - [ -0.0048812900000000, 0.0044414200000000, -0.0015246700000000 ] - [ 0.0007243600000000, -0.0007394400000000, -0.0010696400000000 ] - [ 0.0004715300000000, -0.0005654400000000, 0.0001764800000000 ] - [ 0.0009794300000000, -0.0003154800000000, 0.0007735800000000 ] - [ 0.0022548700000000, -0.0002572600000000, 0.0026259400000000 ] - [ 0.0042923800000000, 0.0005481900000000, -0.0001338900000000 ] - [ 0.0033947500000000, 0.0035304900000000, -0.0022161400000000 ] - [ 0.0001713900000000, 0.0004338400000000, -0.0001561100000000 ] - [ -0.0018883900000000, 0.0034559100000000, -0.0031146400000000 ] - [ -0.1484583200000000, 0.0262737100000000, 0.0166387800000000 ] - [ 0.0099632800000000, -0.0024585700000000, -0.0005977600000000 ] - [ 0.0046988200000000, -0.0024183100000000, -0.0045313000000000 ] - [ -0.0017334900000000, -0.0003175900000000, 0.0020330100000000 ] - [ 0.0010949000000000, 0.0000224800000000, 0.0000358700000000 ] - [ 0.0012129100000000, -0.0005138700000000, -0.0001505300000000 ] - [ 0.0056332100000000, 0.0021282000000000, 0.0019367900000000 ] - [ 0.0016706300000000, -0.0019441400000000, 0.0019438000000000 ] - [ 0.0000034600000000, 0.0007553400000000, 0.0008769100000000 ] - [ 0.0017251200000000, -0.0006208300000000, -0.0006998700000000 ] - [ 0.0033855200000000, 0.0001422800000000, -0.0003006700000000 ] - [ 0.0182969500000000, 0.0046146500000000, -0.0193559100000000 ] - [ -0.0022824000000000, 0.0034738500000000, -0.0012311100000000 ] - [ 0.0068062700000000, -0.0008361600000000, 0.0009038400000000 ] - [ -0.0015938500000000, -0.0005736200000000, -0.0002658400000000 ] - [ -0.0095866200000000, -0.0058091900000000, -0.0001689100000000 ] - [ -0.0006977600000000, -0.0000081400000000, 0.0017576400000000 ] - [ -0.0014679100000000, -0.0029108800000000, -0.0012774000000000 ] - [ 0.0067654100000000, -0.0075207200000000, -0.0032311700000000 ] - [ 0.0015288300000000, -0.0013544100000000, -0.0019296900000000 ] - [ -0.0582353300000000, -0.0490794600000000, -0.0158510200000000 ] - [ 0.0018166900000000, 0.0000523600000000, -0.0001212600000000 ] - [ -0.0004445800000000, 0.0008418800000000, 0.0040595400000000 ] - [ -0.0002995600000000, 0.0002602800000000, -0.0004380500000000 ] - [ -0.0030846300000000, -0.0001894000000000, -0.0042987100000000 ] - [ 0.0054877700000000, 0.0034835300000000, 0.0017765600000000 ] - [ 0.0017344100000000, 0.0044167100000000, -0.0029530400000000 ] - [ -0.0742464300000000, -0.0588057800000000, 0.0667557000000000 ] - [ -0.0017493900000000, -0.0001814700000000, 0.0015488000000000 ] - [ -0.0162017800000000, -0.0236907300000000, -0.0219441400000000 ] - [ 0.0022035500000000, 0.0013421800000000, 0.0016480200000000 ] - [ -0.0046894900000000, 0.0066250400000000, 0.0059556600000000 ] - [ -0.0002449900000000, 0.0065752600000000, 0.0033476800000000 ] - [ -0.0014683000000000, -0.0004216700000000, 0.0001965200000000 ] - [ 0.0009258800000000, -0.0000811200000000, -0.0002978900000000 ] - [ 0.0028227200000000, 0.0011708900000000, 0.0010064500000000 ] - [ 0.0186179500000000, -0.0198320600000000, -0.0015791500000000 ] - [ 0.0034580600000000, 0.0008128400000000, -0.0014624500000000 ] - [ -0.0001743000000000, 0.0000531400000000, 0.0008361400000000 ] - [ -0.0050337300000000, -0.0033524400000000, -0.0002278900000000 ] - [ 0.0009170500000000, -0.0002166200000000, 0.0023829100000000 ] - [ -0.0044138500000000, -0.0011656800000000, 0.0015371600000000 ] - [ 0.0030538800000000, -0.0011266200000000, -0.0013163700000000 ] - [ -0.0040949500000000, 0.0020131600000000, 0.0007759900000000 ] - [ 0.0036545900000000, -0.0025857900000000, 0.0017100600000000 ] - [ 0.0002361200000000, -0.0056962600000000, 0.0048400300000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004478100000000, -0.0028603000000000, 0.0000501900000000 ] - [ 0.0033001500000000, 0.0041420200000000, -0.0035849800000000 ] - [ 0.0000721400000000, 0.0025948200000000, 0.0004255400000000 ] - [ 0.0014356600000000, -0.0004157200000000, 0.0016409300000000 ] - [ 0.0182985500000000, 0.0383943200000000, -0.0322986900000000 ] - [ 0.0020043900000000, -0.0000233900000000, 0.0029524400000000 ] - [ 0.0036049300000000, 0.0106621300000000, 0.0036630800000000 ] - [ -0.0094801400000000, 0.0382189700000000, 0.0538191200000000 ] - [ 0.0010792400000000, -0.0056006000000000, -0.0002227600000000 ] - [ -0.0053854500000000, -0.0058260300000000, -0.0091994000000000 ] - [ -0.0015082900000000, 0.0070141200000000, -0.0015291500000000 ] - [ 0.0001462800000000, 0.0010852800000000, 0.0005987500000000 ] - [ -0.0292370000000000, 0.0252384700000000, 0.0300764600000000 ] - [ -0.0713522900000000, -0.6230711700000000, 0.0349639400000000 ] - [ -0.0059241500000000, -0.0034706400000000, -0.0055052300000000 ] - [ 0.0006001200000000, 0.0020820100000000, -0.0007749000000000 ] - [ -0.0064281000000000, 0.0253504300000000, -0.0074680100000000 ] - [ 0.0025720100000000, 0.0066358800000000, -0.0021899200000000 ] - [ -0.0061995200000000, 0.0031456700000000, 0.0082243500000000 ] - [ -0.0003252400000000, -0.0021601200000000, -0.0014453700000000 ] - [ 0.0090556800000000, -0.0128500800000000, 0.0041414900000000 ] - [ -0.0035204400000000, 0.0026965500000000, -0.0007202100000000 ] - [ -0.0011937100000000, 0.0020729200000000, 0.0002334000000000 ] - [ -0.0075785600000000, -0.0055044100000000, 0.0024255500000000 ] - [ -0.0019773500000000, 0.0510621400000000, -0.0002255400000000 ] - [ 0.0050163400000000, -0.0057106700000000, 0.0032589400000000 ] - [ 0.0010859100000000, -0.0031042700000000, 0.0001469400000000 ] - [ -0.0083598100000000, -0.0090165000000000, -0.0022994700000000 ] - [ 0.0003397200000000, -0.0007921200000000, 0.0004123400000000 ] - [ 0.0002946600000000, 0.0004930900000000, 0.0008314700000000 ] - [ -0.0002465400000000, -0.0012231000000000, 0.0000660900000000 ] - [ -0.0035386500000000, -0.0061997300000000, 0.0032641700000000 ] - [ -0.0003422000000000, 0.0002432300000000, -0.0001368200000000 ] - [ 0.0006106400000000, -0.0004290500000000, 0.0004797600000000 ] - [ -0.0345980100000000, 0.0430362700000000, 0.0062826100000000 ] - [ 0.0004709900000000, 0.0025470500000000, -0.0002244200000000 ] - [ 0.0016053000000000, -0.0001072800000000, -0.0014180700000000 ] - [ 0.0003144700000000, -0.0057790000000000, 0.0029892900000000 ] - [ 0.0001434200000000, -0.0007471200000000, 0.0005948000000000 ] - [ 0.0023957000000000, -0.0024590500000000, 0.0003148900000000 ] - [ 0.0025879100000000, 0.0017071400000000, 0.0018464800000000 ] - [ 0.0004735900000000, -0.0017935500000000, 0.0012226000000000 ] - [ -0.0018373300000000, 0.0014796500000000, -0.0011221600000000 ] - [ -0.0006644200000000, -0.0009420000000000, 0.0004945900000000 ] - [ 0.0004788100000000, -0.0008627000000000, -0.0000641200000000 ] - [ 0.0089858900000000, 0.0032938200000000, -0.0093253900000000 ] - [ 0.0078577700000000, -0.0187805700000000, 0.0101504300000000 ] - [ -0.0040637200000000, 0.0015204300000000, 0.0003300400000000 ] - [ -0.0019340900000000, -0.0007851900000000, -0.0007156600000000 ] - [ 0.0038830400000000, 0.0021181700000000, 0.0036722400000000 ] - [ 0.0047721700000000, -0.0050393200000000, -0.0110768800000000 ] - [ -0.0007220000000000, -0.0035963400000000, -0.0039585000000000 ] - [ 0.0022938000000000, -0.0013863900000000, 0.0008161800000000 ] - [ -0.0000972600000000, -0.0011165500000000, -0.0003278100000000 ] - [ 0.0563698300000000, 0.2849580700000000, 0.0677995500000000 ] - [ 0.0000250400000000, 0.0007559800000000, -0.0000624400000000 ] - [ -0.0017776500000000, 0.0040112900000000, 0.0027716500000000 ] - [ 0.0017531200000000, -0.0009579400000000, 0.0001964400000000 ] - [ 0.0027875500000000, 0.0033983000000000, 0.0081325600000000 ] - [ 0.0002266100000000, 0.0013040700000000, 0.0005673200000000 ] - [ 0.0004677100000000, 0.0031610900000000, -0.0012910100000000 ] - [ 0.0620596000000000, 0.1685991800000000, -0.1350297500000000 ] - [ -0.0083190600000000, 0.0120772000000000, -0.0089654700000000 ] - [ -0.0018319400000000, -0.0091418100000000, -0.0095283200000000 ] - [ -0.0008262900000000, -0.0016359200000000, 0.0000576100000000 ] - [ -0.0003995800000000, 0.0031040800000000, 0.0027591400000000 ] - [ -0.0002784300000000, -0.0148733200000000, -0.0061481200000000 ] - [ -0.0021127900000000, -0.0016499000000000, 0.0000059800000000 ] - [ -0.0000306300000000, -0.0009726300000000, -0.0005832500000000 ] - [ 0.0006813600000000, 0.0019365600000000, -0.0003354600000000 ] - [ 0.0060051900000000, -0.0059495100000000, 0.0012270200000000 ] - [ 0.0005567100000000, -0.0003092300000000, 0.0000760400000000 ] - [ -0.0013288600000000, -0.0004375800000000, 0.0005853900000000 ] - [ 0.0105535500000000, 0.0059721200000000, -0.0061104500000000 ] - [ 0.0007570800000000, 0.0001618000000000, 0.0010469500000000 ] - [ 0.0017196600000000, 0.0043287300000000, -0.0028179600000000 ] - [ -0.0076051000000000, -0.0001908700000000, 0.0028612500000000 ] - [ -0.0004108800000000, -0.0013539100000000, -0.0007628600000000 ] - [ 0.0013073000000000, -0.0016310300000000, 0.0014493500000000 ] - [ 0.0008337100000000, 0.0001535600000000, -0.0024567600000000 ]- atom: 14 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004401700000000, 0.0024245300000000, -0.0000431300000000 ] - [ -0.0033338900000000, -0.0037438500000000, 0.0036082200000000 ] - [ -0.0000659700000000, -0.0030207700000000, -0.0004165400000000 ] - [ -0.0014145100000000, 0.0008505200000000, -0.0016351300000000 ] - [ -0.0179661400000000, -0.0380571800000000, 0.0309949300000000 ] - [ -0.0018045000000000, 0.0003707500000000, -0.0017955900000000 ] - [ -0.0037960700000000, -0.0109583900000000, -0.0047374000000000 ] - [ 0.0091854600000000, -0.0380429500000000, -0.0551814000000000 ] - [ -0.0012983500000000, 0.0052759600000000, 0.0013484900000000 ] - [ 0.0056730300000000, 0.0055263900000000, 0.0081682000000000 ] - [ 0.0016863600000000, -0.0073568300000000, 0.0026520400000000 ] - [ -0.0003563100000000, -0.0007421500000000, 0.0005535000000000 ] - [ 0.0289485700000000, -0.0250912700000000, -0.0299716700000000 ] - [ 0.0746237600000000, 0.6378150200000000, -0.0167552600000000 ] - [ 0.0061877700000000, 0.0036649100000000, 0.0056594700000000 ] - [ -0.0003545300000000, -0.0018821700000000, 0.0006498400000000 ] - [ 0.0061987600000000, -0.0255576500000000, 0.0075419500000000 ] - [ -0.0025873600000000, -0.0069328500000000, 0.0022052200000000 ] - [ 0.0059411800000000, -0.0029408700000000, -0.0080562100000000 ] - [ 0.0000623400000000, 0.0023655000000000, 0.0013268900000000 ] - [ -0.0090545300000000, 0.0125575900000000, -0.0041465500000000 ] - [ 0.0035519500000000, -0.0024241000000000, 0.0007182800000000 ] - [ 0.0014498700000000, -0.0022790300000000, -0.0003295500000000 ] - [ 0.0073301000000000, 0.0053055200000000, -0.0025236500000000 ] - [ -0.0005397000000000, -0.0511469000000000, -0.0029083200000000 ] - [ -0.0048707000000000, 0.0069069000000000, -0.0033725700000000 ] - [ -0.0007740000000000, 0.0025830700000000, -0.0013651700000000 ] - [ 0.0098332100000000, 0.0070536500000000, 0.0027581900000000 ] - [ -0.0003433700000000, 0.0000361400000000, 0.0000912700000000 ] - [ 0.0009744100000000, -0.0004943000000000, 0.0003271800000000 ] - [ 0.0004909000000000, 0.0000719200000000, 0.0000503500000000 ] - [ 0.0042831200000000, 0.0068963900000000, -0.0036930900000000 ] - [ 0.0000866800000000, 0.0009024200000000, 0.0002461400000000 ] - [ -0.0006171200000000, -0.0003129200000000, -0.0010120200000000 ] - [ 0.0336520400000000, -0.0437627600000000, -0.0075357800000000 ] - [ 0.0010522600000000, -0.0006308500000000, -0.0002427000000000 ] - [ -0.0017463900000000, -0.0000718400000000, 0.0013375700000000 ] - [ 0.0009345600000000, 0.0057856600000000, -0.0041350800000000 ] - [ -0.0001493200000000, 0.0015071100000000, -0.0000947900000000 ] - [ -0.0020833200000000, 0.0029894200000000, -0.0015567100000000 ] - [ -0.0013209800000000, -0.0017020800000000, -0.0006760400000000 ] - [ -0.0003299200000000, 0.0019625100000000, -0.0012934800000000 ] - [ 0.0025678700000000, -0.0008090100000000, 0.0015309400000000 ] - [ -0.0000651500000000, 0.0016130300000000, -0.0000868700000000 ] - [ 0.0010849800000000, -0.0010344000000000, -0.0004106800000000 ] - [ -0.0086618700000000, -0.0038119200000000, 0.0105960300000000 ] - [ -0.0079892900000000, 0.0185955900000000, -0.0100011500000000 ] - [ 0.0038774000000000, -0.0026946200000000, -0.0002096300000000 ] - [ 0.0003801400000000, -0.0011154000000000, 0.0002402000000000 ] - [ -0.0036929200000000, -0.0033100700000000, -0.0038304900000000 ] - [ -0.0034940400000000, 0.0050267100000000, 0.0098766700000000 ] - [ 0.0005745200000000, 0.0037590300000000, 0.0040102300000000 ] - [ -0.0015881800000000, 0.0007216600000000, -0.0012402000000000 ] - [ -0.0011645700000000, 0.0011226500000000, 0.0014908900000000 ] - [ -0.0608305200000000, -0.3032056200000000, -0.0767147400000000 ] - [ 0.0002185100000000, 0.0003945500000000, 0.0001724000000000 ] - [ 0.0021079000000000, -0.0034872400000000, -0.0015411700000000 ] - [ -0.0002087500000000, 0.0028651400000000, 0.0002673800000000 ] - [ -0.0040747100000000, -0.0034153900000000, -0.0093432800000000 ] - [ -0.0017829300000000, 0.0006035700000000, -0.0000949000000000 ] - [ -0.0004565200000000, -0.0024199000000000, 0.0017958500000000 ] - [ -0.0584372600000000, -0.1642911300000000, 0.1275018500000000 ] - [ 0.0075764400000000, -0.0113755300000000, 0.0085750200000000 ] - [ 0.0011853100000000, 0.0084955200000000, 0.0090772300000000 ] - [ 0.0005088800000000, 0.0021619200000000, 0.0011697800000000 ] - [ 0.0005436500000000, -0.0029362300000000, -0.0027071300000000 ] - [ 0.0002697600000000, 0.0156286000000000, 0.0057138800000000 ] - [ 0.0005778700000000, 0.0035565100000000, -0.0004697400000000 ] - [ 0.0001691200000000, 0.0007977300000000, 0.0005016100000000 ] - [ -0.0008169600000000, -0.0017558900000000, 0.0002547500000000 ] - [ -0.0052733500000000, 0.0053382100000000, -0.0008031600000000 ] - [ -0.0013086000000000, -0.0003741600000000, 0.0003505600000000 ] - [ 0.0000681700000000, 0.0004372300000000, 0.0005656400000000 ] - [ -0.0106885900000000, -0.0047406200000000, 0.0060155300000000 ] - [ -0.0007450900000000, -0.0009055500000000, -0.0005328200000000 ] - [ -0.0020347500000000, -0.0038022500000000, 0.0015792100000000 ] - [ 0.0061213200000000, -0.0017456100000000, -0.0023923600000000 ] - [ 0.0001759400000000, 0.0001875300000000, 0.0006362400000000 ] - [ -0.0016424800000000, 0.0011163700000000, -0.0002264700000000 ] - [ -0.0008307600000000, -0.0008911700000000, 0.0019229700000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0017072000000000, 0.0008180100000000, 0.0030433600000000 ] - [ -0.0005546600000000, -0.0012645900000000, -0.0027937900000000 ] - [ 0.0014104000000000, -0.0004471600000000, 0.0018769800000000 ] - [ 0.0034458500000000, 0.0042085600000000, -0.0026144700000000 ] - [ -0.0200936600000000, -0.0393582600000000, 0.0338790300000000 ] - [ 0.0014225500000000, 0.0004120000000000, 0.0056397400000000 ] - [ 0.0020449300000000, 0.0082073100000000, 0.0021637500000000 ] - [ -0.0004520900000000, 0.0266400000000000, 0.0241284900000000 ] - [ 0.0007829100000000, -0.0007586300000000, -0.0053076500000000 ] - [ 0.0189817200000000, -0.0263568100000000, 0.0549887600000000 ] - [ -0.0010723400000000, 0.0040203300000000, -0.0055207600000000 ] - [ -0.0007483400000000, 0.0019864500000000, 0.0057990200000000 ] - [ -0.0300875800000000, 0.0254335900000000, 0.0224666400000000 ] - [ -0.0566183200000000, 0.0221215900000000, -0.6432218900000000 ] - [ 0.0008195100000000, 0.0057108100000000, 0.0252013400000000 ] - [ -0.0017816000000000, -0.0006049800000000, -0.0015027200000000 ] - [ -0.0023043600000000, -0.0076395600000000, -0.0147984600000000 ] - [ -0.0062741400000000, -0.0049931200000000, 0.0052650000000000 ] - [ -0.0024313000000000, -0.0080240400000000, 0.0123420600000000 ] - [ 0.0050870400000000, -0.0012463300000000, -0.0035944400000000 ] - [ 0.0092986500000000, -0.0042926900000000, 0.0104515600000000 ] - [ 0.0068311400000000, -0.0090460500000000, -0.0076742300000000 ] - [ 0.0014831600000000, -0.0004060500000000, 0.0013406700000000 ] - [ -0.0068056300000000, -0.0025900700000000, 0.0045134500000000 ] - [ 0.1400525900000000, 0.0148967300000000, 0.2381316600000000 ] - [ -0.0055497600000000, 0.0066383400000000, -0.0032926100000000 ] - [ 0.0037411200000000, 0.0048442800000000, 0.0052260500000000 ] - [ -0.0028489500000000, -0.0037413000000000, -0.0009385500000000 ] - [ 0.0005630800000000, 0.0004705400000000, 0.0017415700000000 ] - [ -0.0002313300000000, 0.0006661600000000, -0.0004025100000000 ] - [ 0.0007161300000000, -0.0008521300000000, 0.0010717300000000 ] - [ 0.0060222600000000, 0.0068840500000000, -0.0050926300000000 ] - [ -0.0005730500000000, 0.0002437200000000, -0.0006837800000000 ] - [ -0.0002181100000000, -0.0001639900000000, -0.0062838700000000 ] - [ -0.0254401400000000, 0.0069201100000000, 0.0400213400000000 ] - [ -0.0000588100000000, 0.0009656300000000, 0.0021518900000000 ] - [ 0.0016392400000000, -0.0017783500000000, -0.0030246300000000 ] - [ -0.0017912300000000, -0.0000558100000000, 0.0072832700000000 ] - [ -0.0002996400000000, 0.0008592400000000, -0.0010012400000000 ] - [ -0.0008427500000000, 0.0033725600000000, -0.0043229200000000 ] - [ 0.0019014800000000, 0.0011636200000000, 0.0017400700000000 ] - [ 0.0006860400000000, -0.0006420500000000, 0.0012590000000000 ] - [ -0.0033426900000000, -0.0012991600000000, -0.0030538800000000 ] - [ 0.0018366600000000, -0.0002051000000000, -0.0018341900000000 ] - [ 0.0007208200000000, -0.0013583000000000, -0.0016474100000000 ] - [ 0.0059645500000000, 0.0008618300000000, -0.0019864400000000 ] - [ 0.0024528300000000, -0.0035246500000000, 0.0049341400000000 ] - [ -0.0006074000000000, 0.0000735000000000, 0.0010931500000000 ] - [ -0.0009129700000000, -0.0006867100000000, -0.0012799300000000 ] - [ 0.0036177600000000, 0.0057059100000000, -0.0033947100000000 ] - [ 0.0039076400000000, -0.0008159900000000, -0.0095293400000000 ] - [ -0.0003307100000000, 0.0003394500000000, -0.0033796600000000 ] - [ -0.0073086400000000, 0.0096517300000000, 0.0051229200000000 ] - [ -0.0008278600000000, 0.0001360900000000, 0.0009001000000000 ] - [ 0.0227107000000000, 0.0932160200000000, 0.0818527600000000 ] - [ -0.0002525000000000, 0.0006341400000000, -0.0007934200000000 ] - [ -0.0045918600000000, 0.0018030700000000, 0.0000515400000000 ] - [ 0.0010795900000000, 0.0003212600000000, -0.0000645300000000 ] - [ -0.0058109400000000, -0.0042274000000000, -0.0179733400000000 ] - [ -0.0088107900000000, -0.0015473300000000, -0.0034450700000000 ] - [ 0.0011412600000000, 0.0024324500000000, -0.0023433000000000 ] - [ -0.0615627200000000, -0.1209713400000000, 0.1895241800000000 ] - [ -0.0057844700000000, 0.0022917400000000, -0.0073675700000000 ] - [ -0.0003202400000000, -0.0111298500000000, -0.0060140900000000 ] - [ 0.0021840500000000, 0.0015376500000000, 0.0008903100000000 ] - [ 0.0051498500000000, -0.0112097500000000, -0.0162022500000000 ] - [ 0.0016739600000000, 0.0097627700000000, 0.0092492600000000 ] - [ -0.0024063400000000, 0.0000350900000000, 0.0008587800000000 ] - [ -0.0004082000000000, -0.0005769900000000, -0.0011374900000000 ] - [ -0.0010450600000000, -0.0010997100000000, 0.0025854100000000 ] - [ 0.0093349200000000, -0.0091403700000000, 0.0015690400000000 ] - [ -0.0022736400000000, 0.0000950200000000, 0.0023722400000000 ] - [ -0.0004918100000000, 0.0004382000000000, -0.0000463700000000 ] - [ 0.0013426300000000, -0.0028538600000000, -0.0026763100000000 ] - [ -0.0010294400000000, 0.0008585900000000, 0.0024296800000000 ] - [ 0.0011280300000000, 0.0022168700000000, -0.0062671200000000 ] - [ 0.0078060900000000, -0.0015580700000000, -0.0021082300000000 ] - [ 0.0006215000000000, -0.0029752600000000, -0.0007268500000000 ] - [ -0.0021862200000000, 0.0016032800000000, 0.0004408400000000 ] - [ -0.0005132000000000, 0.0079435200000000, -0.0102581400000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0017145600000000, -0.0012433500000000, -0.0030472500000000 ] - [ 0.0005483200000000, 0.0016876600000000, 0.0027978500000000 ] - [ -0.0014085700000000, 0.0000066600000000, -0.0018717300000000 ] - [ -0.0034239900000000, -0.0037675300000000, 0.0026209900000000 ] - [ 0.0203859900000000, 0.0398498200000000, -0.0350479200000000 ] - [ -0.0012569300000000, -0.0000785900000000, -0.0045199000000000 ] - [ -0.0022384000000000, -0.0085154800000000, -0.0032933400000000 ] - [ 0.0002204300000000, -0.0265481800000000, -0.0252838000000000 ] - [ -0.0009749100000000, 0.0004046000000000, 0.0064670600000000 ] - [ -0.0184940600000000, 0.0259940400000000, -0.0560068200000000 ] - [ 0.0012606200000000, -0.0043785800000000, 0.0066793600000000 ] - [ 0.0005287200000000, -0.0016338200000000, -0.0046650800000000 ] - [ 0.0298185900000000, -0.0250083400000000, -0.0226079300000000 ] - [ 0.0420259900000000, -0.0298049400000000, 0.6376241700000000 ] - [ -0.0005146300000000, -0.0054746800000000, -0.0250912900000000 ] - [ 0.0020575200000000, 0.0008092900000000, 0.0014172100000000 ] - [ 0.0020567100000000, 0.0073886500000000, 0.0149025700000000 ] - [ 0.0062701600000000, 0.0046374900000000, -0.0052522000000000 ] - [ 0.0021932800000000, 0.0082444300000000, -0.0122678700000000 ] - [ -0.0054337400000000, 0.0015031900000000, 0.0035145600000000 ] - [ -0.0093900700000000, 0.0040171000000000, -0.0105291900000000 ] - [ -0.0068159200000000, 0.0093679600000000, 0.0076834100000000 ] - [ -0.0012045600000000, 0.0001768100000000, -0.0014478600000000 ] - [ 0.0064869700000000, 0.0023670900000000, -0.0046077900000000 ] - [ -0.1307615600000000, -0.0148233000000000, -0.2271983300000000 ] - [ 0.0056707800000000, -0.0054198100000000, 0.0031555400000000 ] - [ -0.0034494600000000, -0.0053596200000000, -0.0064398900000000 ] - [ 0.0043964900000000, 0.0018344300000000, 0.0013973100000000 ] - [ -0.0005721500000000, -0.0012499100000000, -0.0012643500000000 ] - [ 0.0015379800000000, -0.0006929400000000, 0.0016093700000000 ] - [ -0.0004708400000000, -0.0003000100000000, -0.0009590200000000 ] - [ -0.0052542200000000, -0.0061552300000000, 0.0046443700000000 ] - [ 0.0003596300000000, 0.0009236300000000, 0.0008014800000000 ] - [ 0.0002105500000000, -0.0006328400000000, 0.0057988300000000 ] - [ 0.0251898700000000, -0.0075212900000000, -0.0414661300000000 ] - [ 0.0015937100000000, 0.0009406000000000, -0.0026235800000000 ] - [ -0.0017487000000000, 0.0015591800000000, 0.0029113400000000 ] - [ 0.0030726400000000, 0.0000699200000000, -0.0084768700000000 ] - [ 0.0002928900000000, -0.0000635000000000, 0.0014806700000000 ] - [ 0.0011303300000000, -0.0028422900000000, 0.0031035300000000 ] - [ -0.0006118300000000, -0.0011504600000000, -0.0005458500000000 ] - [ -0.0005663200000000, 0.0008583100000000, -0.0013772800000000 ] - [ 0.0041356500000000, 0.0020124300000000, 0.0035066500000000 ] - [ -0.0025906000000000, 0.0009130500000000, 0.0022627600000000 ] - [ 0.0007975300000000, -0.0005649600000000, 0.0011764300000000 ] - [ -0.0056144600000000, -0.0013736900000000, 0.0032174600000000 ] - [ -0.0025897400000000, 0.0033458500000000, -0.0048473600000000 ] - [ 0.0003552100000000, -0.0012226200000000, -0.0009857500000000 ] - [ -0.0006143800000000, -0.0012274600000000, 0.0008132800000000 ] - [ -0.0035215200000000, -0.0068985100000000, 0.0032223300000000 ] - [ -0.0026359100000000, 0.0008211100000000, 0.0083614900000000 ] - [ 0.0002047300000000, -0.0001270200000000, 0.0034972500000000 ] - [ 0.0080473400000000, -0.0103496700000000, -0.0055577900000000 ] - [ -0.0004599400000000, -0.0001150000000000, 0.0003060900000000 ] - [ -0.0229516200000000, -0.0936969300000000, -0.0816318000000000 ] - [ 0.0004885200000000, 0.0005236400000000, 0.0009095300000000 ] - [ 0.0049578900000000, -0.0013172400000000, 0.0011567300000000 ] - [ 0.0004646300000000, 0.0015851700000000, 0.0005333000000000 ] - [ 0.0044912800000000, 0.0041699800000000, 0.0167374000000000 ] - [ 0.0073338700000000, 0.0034719500000000, 0.0039509500000000 ] - [ -0.0011281700000000, -0.0016439300000000, 0.0028294100000000 ] - [ 0.0660937800000000, 0.1293587400000000, -0.1963109100000000 ] - [ 0.0050680700000000, -0.0015752700000000, 0.0069953500000000 ] - [ -0.0003496000000000, 0.0104121200000000, 0.0056155100000000 ] - [ -0.0024897300000000, -0.0010176800000000, 0.0003134600000000 ] - [ -0.0050466300000000, 0.0114374000000000, 0.0162999900000000 ] - [ -0.0016789700000000, -0.0089522100000000, -0.0097005600000000 ] - [ 0.0008735800000000, 0.0018796100000000, -0.0013297000000000 ] - [ 0.0005328100000000, 0.0003769100000000, 0.0010367700000000 ] - [ 0.0009322500000000, 0.0013004100000000, -0.0026941900000000 ] - [ -0.0086250200000000, 0.0085141100000000, -0.0011174700000000 ] - [ 0.0015280500000000, -0.0007873500000000, -0.0019500300000000 ] - [ -0.0007933800000000, -0.0004488300000000, 0.0012405800000000 ] - [ -0.0015406600000000, 0.0040736500000000, 0.0025663300000000 ] - [ 0.0010470500000000, -0.0016621200000000, -0.0019633600000000 ] - [ -0.0014435300000000, -0.0017232500000000, 0.0050742700000000 ] - [ -0.0092370300000000, -0.0004178300000000, 0.0025780400000000 ] - [ -0.0008584200000000, 0.0018048700000000, 0.0006079000000000 ] - [ 0.0018753800000000, -0.0021134000000000, 0.0007660600000000 ] - [ 0.0005098500000000, -0.0087422100000000, 0.0097952700000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000249900000000, -0.0003102500000000, -0.0006281400000000 ] - [ 0.0001235700000000, -0.0001106600000000, 0.0008632500000000 ] - [ -0.0000562900000000, -0.0002557600000000, -0.0003667200000000 ] - [ -0.0021147700000000, -0.0024274500000000, 0.0004793500000000 ] - [ 0.0028951600000000, 0.0027356500000000, -0.0032075500000000 ] - [ -0.0008106600000000, -0.0001564100000000, 0.0002098100000000 ] - [ 0.0042268900000000, 0.0017730800000000, 0.0019065000000000 ] - [ 0.0029562400000000, -0.0043645700000000, -0.0069379300000000 ] - [ -0.0069311900000000, 0.0003191900000000, 0.0015960400000000 ] - [ 0.0163710700000000, 0.0037195900000000, -0.0013475000000000 ] - [ -0.0032545600000000, 0.0024031900000000, -0.0003360000000000 ] - [ -0.0015869300000000, 0.0002153400000000, 0.0000150300000000 ] - [ -0.0092207200000000, 0.0151082900000000, 0.0191530900000000 ] - [ 0.1434481300000000, -0.0008281600000000, 0.1321817000000000 ] - [ 0.0025401700000000, -0.0033056900000000, -0.0050801100000000 ] - [ -0.0003450700000000, 0.0008110300000000, -0.0002131000000000 ] - [ 0.0022571100000000, 0.0001984400000000, 0.0025086800000000 ] - [ 0.0001260700000000, 0.0004609300000000, -0.0010411200000000 ] - [ 0.0012252000000000, 0.0042335300000000, -0.0032061300000000 ] - [ -0.0017367000000000, -0.0002197500000000, -0.0009457900000000 ] - [ -0.0007474800000000, 0.0007180300000000, -0.0025829600000000 ] - [ -0.0049428000000000, 0.0050908500000000, 0.0026533100000000 ] - [ -0.0020413300000000, 0.0004139500000000, 0.0001119000000000 ] - [ -0.0051109000000000, -0.0020634500000000, 0.0011826400000000 ] - [ -0.1746982400000000, 0.0020685400000000, -0.1761272900000000 ] - [ 0.0000007100000000, 0.0004850400000000, 0.0002361400000000 ] - [ -0.0008034700000000, -0.0019269800000000, -0.0022850400000000 ] - [ 0.0016409800000000, -0.0001716700000000, 0.0005801200000000 ] - [ 0.0001522400000000, -0.0008647500000000, -0.0001751400000000 ] - [ 0.0011277400000000, -0.0000916100000000, 0.0012748500000000 ] - [ 0.0016444500000000, 0.0000327200000000, -0.0003335900000000 ] - [ -0.0001404400000000, -0.0002935300000000, 0.0003726200000000 ] - [ 0.0002260500000000, 0.0006851500000000, 0.0001310500000000 ] - [ -0.0005597600000000, 0.0010569100000000, -0.0001589300000000 ] - [ 0.0306039600000000, -0.0151300700000000, 0.0076488500000000 ] - [ 0.0051370400000000, -0.0005319300000000, -0.0014207500000000 ] - [ 0.0011437100000000, -0.0004358700000000, -0.0008123600000000 ] - [ 0.0001783400000000, -0.0003236300000000, -0.0012492300000000 ] - [ 0.0004845300000000, 0.0002148600000000, 0.0004636700000000 ] - [ 0.0006069400000000, -0.0007445800000000, 0.0003486700000000 ] - [ 0.0024520600000000, 0.0006122800000000, 0.0011748000000000 ] - [ 0.0004857200000000, -0.0005450000000000, 0.0003508700000000 ] - [ 0.0008959500000000, 0.0006677300000000, 0.0008455200000000 ] - [ -0.0003229500000000, 0.0002238800000000, 0.0004322700000000 ] - [ 0.0016024000000000, -0.0004734600000000, 0.0001030700000000 ] - [ 0.0041342900000000, 0.0012112600000000, -0.0031841200000000 ] - [ -0.0012821600000000, 0.0014653800000000, -0.0014800600000000 ] - [ 0.0021452000000000, -0.0009451600000000, 0.0002115400000000 ] - [ -0.0008431500000000, -0.0009698400000000, -0.0000641700000000 ] - [ -0.0095530800000000, -0.0010163500000000, -0.0060943600000000 ] - [ -0.0006218000000000, 0.0001383900000000, 0.0023109900000000 ] - [ -0.0006879600000000, -0.0012336600000000, 0.0001118800000000 ] - [ 0.0044426400000000, -0.0059545300000000, -0.0022404500000000 ] - [ 0.0002552900000000, -0.0005338800000000, -0.0003629900000000 ] - [ -0.0005498600000000, 0.0110231600000000, 0.0196771500000000 ] - [ 0.0008146600000000, 0.0003428700000000, 0.0001887400000000 ] - [ 0.0006162500000000, 0.0002534000000000, 0.0013452200000000 ] - [ 0.0004071500000000, 0.0006420000000000, -0.0000271600000000 ] - [ -0.0002473100000000, 0.0008674000000000, 0.0019120400000000 ] - [ 0.0029936800000000, -0.0002487300000000, 0.0058069500000000 ] - [ 0.0005089800000000, 0.0012471500000000, -0.0002564400000000 ] - [ -0.0080928800000000, -0.0020147900000000, 0.0061454100000000 ] - [ 0.0004098800000000, -0.0004539600000000, 0.0012796300000000 ] - [ -0.0017868100000000, -0.0069229500000000, -0.0051380600000000 ] - [ -0.0000732600000000, 0.0001932600000000, 0.0007894000000000 ] - [ -0.0033206600000000, 0.0055554600000000, 0.0050656600000000 ] - [ -0.0006002500000000, -0.0000219800000000, -0.0013246700000000 ] - [ -0.0004785900000000, 0.0007414800000000, -0.0002565600000000 ] - [ 0.0004909400000000, -0.0000047200000000, 0.0000954600000000 ] - [ 0.0010366300000000, 0.0009577500000000, -0.0003547900000000 ] - [ 0.0050114600000000, -0.0056645000000000, -0.0004934500000000 ] - [ 0.0012370700000000, -0.0003903500000000, -0.0007348100000000 ] - [ -0.0005177400000000, -0.0001496000000000, 0.0007646500000000 ] - [ -0.0020486200000000, -0.0001340300000000, 0.0004155700000000 ] - [ 0.0004452200000000, -0.0002492400000000, 0.0006692100000000 ] - [ -0.0014345600000000, -0.0002954000000000, 0.0008977000000000 ] - [ -0.0017151200000000, -0.0006204200000000, 0.0001428800000000 ] - [ -0.0020705900000000, 0.0008611600000000, 0.0003440200000000 ] - [ 0.0017036700000000, -0.0016317000000000, 0.0010920000000000 ] - [ 0.0001682300000000, -0.0047172600000000, 0.0043776200000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000308700000000, -0.0001231500000000, 0.0006272900000000 ] - [ -0.0001300400000000, 0.0005425800000000, -0.0008628500000000 ] - [ 0.0000509500000000, -0.0001764100000000, 0.0003658200000000 ] - [ 0.0021588400000000, 0.0028827100000000, -0.0004740600000000 ] - [ -0.0026693600000000, -0.0023322600000000, 0.0020333100000000 ] - [ 0.0009885900000000, 0.0005069600000000, 0.0009215600000000 ] - [ -0.0044321200000000, -0.0021337100000000, -0.0030556700000000 ] - [ -0.0031454200000000, 0.0046927400000000, 0.0057843300000000 ] - [ 0.0067567200000000, -0.0006504700000000, -0.0004504300000000 ] - [ -0.0160861500000000, -0.0039636000000000, 0.0001422600000000 ] - [ 0.0034426200000000, -0.0027762000000000, 0.0014839200000000 ] - [ 0.0014178500000000, 0.0001307900000000, 0.0011218000000000 ] - [ 0.0092283300000000, -0.0149477500000000, -0.0193413000000000 ] - [ -0.1457924700000000, 0.0006261300000000, -0.1385393800000000 ] - [ -0.0023052600000000, 0.0035319600000000, 0.0051889500000000 ] - [ 0.0006143300000000, -0.0006005100000000, 0.0001186300000000 ] - [ -0.0025069300000000, -0.0004014900000000, -0.0023867400000000 ] - [ -0.0000945100000000, -0.0007602500000000, 0.0010488300000000 ] - [ -0.0014763300000000, -0.0040466100000000, 0.0033105700000000 ] - [ 0.0014678800000000, 0.0004363000000000, 0.0008583200000000 ] - [ 0.0007098400000000, -0.0010037200000000, 0.0025912500000000 ] - [ 0.0049644600000000, -0.0047876500000000, -0.0026514000000000 ] - [ 0.0023114500000000, -0.0006308700000000, -0.0002253600000000 ] - [ 0.0048680300000000, 0.0018691900000000, -0.0013054700000000 ] - [ 0.1764833400000000, -0.0022849100000000, 0.1819122100000000 ] - [ 0.0002162400000000, 0.0006783200000000, -0.0003529900000000 ] - [ 0.0010973200000000, 0.0014037200000000, 0.0010635200000000 ] - [ -0.0000873900000000, -0.0017291200000000, -0.0001107000000000 ] - [ -0.0001613300000000, 0.0000893800000000, 0.0006534900000000 ] - [ 0.0001487800000000, 0.0000812100000000, -0.0000994900000000 ] - [ -0.0014202500000000, -0.0011895800000000, 0.0004467800000000 ] - [ 0.0008721600000000, 0.0009765900000000, -0.0007932700000000 ] - [ -0.0004363300000000, 0.0004847100000000, -0.0000137300000000 ] - [ 0.0005623600000000, -0.0018408300000000, -0.0003279100000000 ] - [ -0.0317162800000000, 0.0149294100000000, -0.0091802100000000 ] - [ -0.0035748600000000, 0.0024303900000000, 0.0009426200000000 ] - [ -0.0012747000000000, 0.0002363500000000, 0.0007221300000000 ] - [ 0.0011040300000000, 0.0003324100000000, 0.0000583000000000 ] - [ -0.0004924000000000, 0.0005659800000000, 0.0000254100000000 ] - [ -0.0003128700000000, 0.0012744100000000, -0.0015730500000000 ] - [ -0.0011794200000000, -0.0006090500000000, 0.0000147700000000 ] - [ -0.0003612100000000, 0.0007464600000000, -0.0004599800000000 ] - [ -0.0001377900000000, 0.0000151900000000, -0.0004235100000000 ] - [ -0.0004381600000000, 0.0004755300000000, -0.0000026900000000 ] - [ -0.0000868500000000, -0.0014476000000000, -0.0005741300000000 ] - [ -0.0038263700000000, -0.0017353000000000, 0.0044307400000000 ] - [ 0.0011486000000000, -0.0016557500000000, 0.0015739500000000 ] - [ -0.0023806400000000, -0.0002141400000000, -0.0000999000000000 ] - [ -0.0007128000000000, -0.0009288200000000, -0.0004040100000000 ] - [ 0.0097752300000000, -0.0001418700000000, 0.0059598000000000 ] - [ 0.0019013900000000, -0.0001394900000000, -0.0034976400000000 ] - [ 0.0005616900000000, 0.0014442800000000, -0.0000031700000000 ] - [ -0.0037137100000000, 0.0052647900000000, 0.0018326800000000 ] - [ -0.0015374500000000, 0.0005493800000000, 0.0015595100000000 ] - [ 0.0006553400000000, -0.0103548400000000, -0.0202978500000000 ] - [ -0.0005700200000000, 0.0008055600000000, -0.0000767500000000 ] - [ -0.0002765900000000, 0.0002524100000000, -0.0001429900000000 ] - [ 0.0011367300000000, 0.0012711200000000, 0.0004988300000000 ] - [ -0.0010336600000000, -0.0008798600000000, -0.0031013000000000 ] - [ -0.0045740500000000, 0.0021032300000000, -0.0052770500000000 ] - [ -0.0005022800000000, -0.0004971000000000, 0.0007687300000000 ] - [ 0.0083226700000000, 0.0017302200000000, -0.0058954500000000 ] - [ -0.0011420700000000, 0.0011323500000000, -0.0016977500000000 ] - [ 0.0010778000000000, 0.0062880800000000, 0.0047553000000000 ] - [ -0.0002570000000000, 0.0003203700000000, 0.0004187000000000 ] - [ 0.0034547900000000, -0.0053678800000000, -0.0049817100000000 ] - [ 0.0005984800000000, 0.0007938800000000, 0.0008300400000000 ] - [ -0.0010498000000000, 0.0011751000000000, -0.0002150800000000 ] - [ -0.0003597000000000, -0.0001774600000000, -0.0001823200000000 ] - [ -0.0011661700000000, -0.0007648700000000, 0.0002520300000000 ] - [ -0.0042952800000000, 0.0050250300000000, 0.0009312800000000 ] - [ -0.0019958300000000, -0.0003047000000000, 0.0011663600000000 ] - [ -0.0007546600000000, 0.0001474700000000, 0.0003998000000000 ] - [ 0.0018125100000000, 0.0012921600000000, -0.0005303600000000 ] - [ -0.0004344500000000, -0.0005162300000000, -0.0001861800000000 ] - [ 0.0011386400000000, 0.0008132700000000, -0.0021192100000000 ] - [ 0.0001768700000000, -0.0012936400000000, 0.0003274800000000 ] - [ 0.0018498500000000, -0.0020273000000000, -0.0004595200000000 ] - [ -0.0020295500000000, 0.0011182200000000, 0.0001262400000000 ] - [ -0.0001751100000000, 0.0039686100000000, -0.0048950000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001223100000000, 0.0003895300000000, 0.0005360200000000 ] - [ -0.0009315900000000, -0.0006434100000000, -0.0001413200000000 ] - [ 0.0000125700000000, -0.0007209300000000, 0.0001129200000000 ] - [ -0.0019930800000000, 0.0004368100000000, -0.0009079300000000 ] - [ -0.0034976000000000, -0.0072880100000000, 0.0065155600000000 ] - [ 0.0000234500000000, 0.0001788000000000, 0.0005445700000000 ] - [ -0.0004518000000000, -0.0059155700000000, -0.0040399600000000 ] - [ 0.0016435400000000, -0.0026523800000000, -0.0051359900000000 ] - [ 0.0005738100000000, 0.0017049400000000, 0.0000185600000000 ] - [ 0.0003627700000000, 0.0239101000000000, -0.0212944800000000 ] - [ 0.0007510000000000, -0.0024258600000000, 0.0012021100000000 ] - [ 0.0003342800000000, 0.0001411200000000, 0.0007084900000000 ] - [ 0.0079617300000000, -0.0026702800000000, -0.0052651200000000 ] - [ 0.0103315100000000, 0.0510848100000000, 0.0156107800000000 ] - [ -0.0000256800000000, 0.0035076100000000, 0.0042204400000000 ] - [ 0.0002079300000000, -0.0003221900000000, 0.0004115800000000 ] - [ -0.0004549700000000, -0.0058979600000000, -0.0000137000000000 ] - [ -0.0004536500000000, -0.0020249700000000, 0.0013549400000000 ] - [ -0.0001363000000000, -0.0048996200000000, 0.0008432700000000 ] - [ 0.0000781700000000, 0.0006158900000000, 0.0006402600000000 ] - [ -0.0010435700000000, 0.0014555500000000, 0.0005792900000000 ] - [ 0.0048184900000000, -0.0040268400000000, -0.0023805700000000 ] - [ 0.0015101000000000, -0.0012421900000000, -0.0001634600000000 ] - [ 0.0019536200000000, 0.0015891600000000, -0.0011881100000000 ] - [ 0.0009733600000000, -0.0725662600000000, 0.0241983100000000 ] - [ -0.0010406600000000, 0.0017836500000000, -0.0006521400000000 ] - [ 0.0006051700000000, 0.0016666200000000, 0.0005599500000000 ] - [ 0.0017665700000000, -0.0000305200000000, 0.0004562100000000 ] - [ -0.0001088800000000, -0.0003620800000000, 0.0001590900000000 ] - [ 0.0005791500000000, -0.0000652100000000, 0.0002588100000000 ] - [ 0.0004054600000000, -0.0002092400000000, -0.0000661300000000 ] - [ 0.0015164100000000, 0.0021302400000000, -0.0013960000000000 ] - [ -0.0001898800000000, 0.0005994300000000, 0.0000752800000000 ] - [ 0.0001413200000000, -0.0018129200000000, -0.0000574400000000 ] - [ -0.0146236300000000, -0.0028470000000000, -0.0035053600000000 ] - [ 0.0010761700000000, 0.0001124800000000, -0.0001178300000000 ] - [ -0.0005247800000000, -0.0002046900000000, 0.0003473800000000 ] - [ 0.0009877500000000, 0.0017008000000000, -0.0010519900000000 ] - [ -0.0001185600000000, 0.0009619300000000, 0.0001758400000000 ] - [ -0.0008263000000000, 0.0018392100000000, -0.0015949700000000 ] - [ 0.0000477800000000, -0.0005441700000000, 0.0006194600000000 ] - [ -0.0001889700000000, 0.0007089100000000, -0.0005162500000000 ] - [ 0.0005118700000000, 0.0000300200000000, 0.0001070100000000 ] - [ -0.0004209100000000, 0.0007585400000000, 0.0000286000000000 ] - [ 0.0004678400000000, -0.0012717700000000, -0.0003729800000000 ] - [ -0.0020683800000000, -0.0017896700000000, 0.0025454500000000 ] - [ -0.0009324200000000, 0.0026765200000000, -0.0011375900000000 ] - [ 0.0000596700000000, -0.0009494600000000, 0.0000767500000000 ] - [ -0.0003950000000000, -0.0009367600000000, -0.0002899300000000 ] - [ 0.0038912800000000, 0.0029495200000000, -0.0045120800000000 ] - [ 0.0007952300000000, 0.0011347600000000, -0.0006682700000000 ] - [ 0.0007352800000000, 0.0026176900000000, 0.0012995300000000 ] - [ -0.0037750700000000, 0.0042718600000000, 0.0011671600000000 ] - [ -0.0011998100000000, 0.0005413400000000, 0.0012781000000000 ] - [ 0.0117991600000000, 0.0049683700000000, 0.0243301400000000 ] - [ -0.0002711900000000, 0.0006737600000000, -0.0000361400000000 ] - [ 0.0004207400000000, -0.0004035600000000, -0.0000744600000000 ] - [ 0.0003119200000000, 0.0018983200000000, 0.0004056100000000 ] - [ -0.0015376700000000, -0.0012691300000000, -0.0037848200000000 ] - [ -0.0073051600000000, -0.0038996100000000, 0.0013521600000000 ] - [ -0.0000550600000000, -0.0004688500000000, 0.0007338800000000 ] - [ -0.0027367300000000, 0.0034452500000000, -0.0297378900000000 ] - [ 0.0004240700000000, -0.0011567600000000, 0.0003715900000000 ] - [ -0.0039230200000000, 0.0043250300000000, 0.0028645500000000 ] - [ -0.0001029500000000, 0.0005846300000000, 0.0004711500000000 ] - [ 0.0025826400000000, -0.0055766400000000, -0.0035478300000000 ] - [ 0.0001106100000000, 0.0038358200000000, 0.0008631800000000 ] - [ -0.0005621900000000, 0.0015165100000000, -0.0002569400000000 ] - [ -0.0001070100000000, 0.0001961700000000, 0.0000394400000000 ] - [ -0.0003253400000000, -0.0003198100000000, -0.0000886800000000 ] - [ -0.0018963800000000, 0.0013337600000000, -0.0003288400000000 ] - [ -0.0019344300000000, -0.0006495500000000, 0.0011928900000000 ] - [ -0.0005118100000000, 0.0001571800000000, 0.0003238900000000 ] - [ -0.0013342300000000, -0.0004804500000000, 0.0002442800000000 ] - [ -0.0001763200000000, -0.0006204900000000, -0.0001196300000000 ] - [ 0.0001305500000000, -0.0002652600000000, -0.0010754400000000 ] - [ 0.0005109300000000, -0.0013698700000000, -0.0003834300000000 ] - [ -0.0008387100000000, 0.0008408100000000, 0.0009549000000000 ] - [ -0.0017214900000000, 0.0011146100000000, 0.0001696700000000 ] - [ -0.0007950200000000, 0.0044119100000000, -0.0050653900000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001192700000000, -0.0008237700000000, -0.0005435600000000 ] - [ 0.0009340600000000, 0.0010737000000000, 0.0001528900000000 ] - [ -0.0000167600000000, 0.0002865100000000, -0.0001161300000000 ] - [ 0.0020075800000000, 0.0000020800000000, 0.0009176400000000 ] - [ 0.0037475500000000, 0.0076909400000000, -0.0077077900000000 ] - [ 0.0001635200000000, 0.0001641900000000, 0.0005874600000000 ] - [ 0.0002728400000000, 0.0055691900000000, 0.0029041000000000 ] - [ -0.0018314900000000, 0.0029536700000000, 0.0039386000000000 ] - [ -0.0007883100000000, -0.0020620800000000, 0.0011407800000000 ] - [ -0.0000218100000000, -0.0243499600000000, 0.0207229800000000 ] - [ -0.0005793600000000, 0.0020965300000000, -0.0000611900000000 ] - [ -0.0005432800000000, 0.0002029100000000, 0.0004264900000000 ] - [ -0.0080203500000000, 0.0030996600000000, 0.0054114400000000 ] - [ -0.0090245100000000, -0.0511146100000000, -0.0140826600000000 ] - [ 0.0003059900000000, -0.0033101700000000, -0.0041597300000000 ] - [ 0.0000701300000000, 0.0005397100000000, -0.0005065000000000 ] - [ 0.0002067000000000, 0.0056833600000000, 0.0001412400000000 ] - [ 0.0004720000000000, 0.0017069400000000, -0.0013643500000000 ] - [ -0.0001200800000000, 0.0051537200000000, -0.0007785000000000 ] - [ -0.0003762300000000, -0.0003910900000000, -0.0007471700000000 ] - [ 0.0010178500000000, -0.0017633800000000, -0.0006005200000000 ] - [ -0.0048659300000000, 0.0043926000000000, 0.0024146400000000 ] - [ -0.0012492500000000, 0.0010207900000000, 0.0000635600000000 ] - [ -0.0022595200000000, -0.0018184000000000, 0.0011021300000000 ] - [ -0.0033538200000000, 0.0726829300000000, -0.0272871900000000 ] - [ 0.0012668300000000, -0.0006273600000000, 0.0005393900000000 ] - [ -0.0003194200000000, -0.0021981700000000, -0.0017838100000000 ] - [ -0.0002237400000000, -0.0018748500000000, 0.0000161600000000 ] - [ 0.0001010500000000, -0.0004152600000000, 0.0003228700000000 ] - [ 0.0007106900000000, 0.0000498200000000, 0.0009420400000000 ] - [ -0.0001727200000000, -0.0009494100000000, 0.0001782300000000 ] - [ -0.0007791400000000, -0.0014470400000000, 0.0009769200000000 ] - [ -0.0000292300000000, 0.0005654200000000, 0.0000416100000000 ] - [ -0.0001445200000000, 0.0010295300000000, -0.0004249200000000 ] - [ 0.0144082000000000, 0.0021866700000000, 0.0022896600000000 ] - [ 0.0004624800000000, 0.0017932400000000, -0.0003577400000000 ] - [ 0.0004091800000000, -0.0000058800000000, -0.0004575000000000 ] - [ 0.0002969400000000, -0.0016939800000000, -0.0001537600000000 ] - [ 0.0001161700000000, -0.0001732500000000, 0.0003065700000000 ] - [ 0.0011235000000000, -0.0013302600000000, 0.0003935100000000 ] - [ 0.0012380300000000, 0.0005553600000000, 0.0005661100000000 ] - [ 0.0003162400000000, -0.0005105100000000, 0.0004104000000000 ] - [ 0.0002551100000000, 0.0006682300000000, 0.0003288200000000 ] - [ -0.0003399900000000, -0.0000573800000000, 0.0004057500000000 ] - [ 0.0010519900000000, -0.0006484200000000, -0.0000956900000000 ] - [ 0.0024019700000000, 0.0012843500000000, -0.0013661000000000 ] - [ 0.0007939900000000, -0.0028616000000000, 0.0012259300000000 ] - [ -0.0003017500000000, -0.0001982600000000, 0.0000316700000000 ] - [ -0.0011377500000000, -0.0009771500000000, -0.0001765900000000 ] - [ -0.0037282000000000, -0.0041479200000000, 0.0044809100000000 ] - [ 0.0004795200000000, -0.0011395500000000, -0.0005000300000000 ] - [ -0.0008646500000000, -0.0024220200000000, -0.0011868300000000 ] - [ 0.0045776700000000, -0.0050276400000000, -0.0016098800000000 ] - [ -0.0000787000000000, -0.0005312300000000, -0.0000870800000000 ] - [ -0.0119171200000000, -0.0042155200000000, -0.0249728400000000 ] - [ 0.0005074900000000, 0.0004808600000000, 0.0001510700000000 ] - [ -0.0000999000000000, 0.0009071700000000, 0.0012789500000000 ] - [ 0.0012520800000000, -0.0000016400000000, 0.0000623500000000 ] - [ 0.0002536100000000, 0.0012625600000000, 0.0026089700000000 ] - [ 0.0058178000000000, 0.0058480200000000, -0.0008935000000000 ] - [ 0.0000619700000000, 0.0012547900000000, -0.0002464800000000 ] - [ 0.0028744000000000, -0.0037413900000000, 0.0297656200000000 ] - [ -0.0011625000000000, 0.0018375400000000, -0.0007839400000000 ] - [ 0.0031112400000000, -0.0050077000000000, -0.0032947600000000 ] - [ -0.0002067700000000, -0.0000753000000000, 0.0007310400000000 ] - [ -0.0024792100000000, 0.0058204200000000, 0.0036819100000000 ] - [ -0.0001156400000000, -0.0030582900000000, -0.0013626800000000 ] - [ -0.0009474200000000, 0.0004044900000000, -0.0002164200000000 ] - [ 0.0002346400000000, -0.0003939700000000, -0.0001400800000000 ] - [ 0.0002021700000000, 0.0005150200000000, -0.0000066400000000 ] - [ 0.0026785300000000, -0.0020677600000000, 0.0007470700000000 ] - [ 0.0012040600000000, -0.0000378000000000, -0.0007781500000000 ] - [ -0.0007739700000000, -0.0001671900000000, 0.0008695900000000 ] - [ 0.0010907300000000, 0.0016388800000000, -0.0003537000000000 ] - [ 0.0001886600000000, -0.0001598500000000, 0.0006040400000000 ] - [ -0.0004362200000000, 0.0007711000000000, -0.0001202400000000 ] - [ -0.0020471700000000, -0.0005482500000000, 0.0008568700000000 ] - [ 0.0005647100000000, -0.0019766700000000, -0.0010616100000000 ] - [ 0.0014291600000000, -0.0016360500000000, 0.0010387800000000 ] - [ 0.0007966900000000, -0.0052349600000000, 0.0046095000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002654700000000, -0.0007502500000000, -0.0022267000000000 ] - [ 0.0007729800000000, 0.0004679900000000, 0.0024512400000000 ] - [ -0.0004150500000000, -0.0001799600000000, -0.0011679900000000 ] - [ -0.0008528400000000, -0.0016626700000000, 0.0031814700000000 ] - [ 0.0090867300000000, 0.0152896500000000, -0.0157448000000000 ] - [ -0.0007212300000000, 0.0001591600000000, -0.0015606200000000 ] - [ 0.0021506100000000, -0.0003545800000000, 0.0028468500000000 ] - [ 0.0035708100000000, -0.0102688400000000, -0.0156885200000000 ] - [ -0.0020744200000000, -0.0018782800000000, 0.0036076000000000 ] - [ 0.0045599800000000, -0.0158547200000000, 0.0304158600000000 ] - [ -0.0018516200000000, 0.0014003800000000, 0.0016235700000000 ] - [ -0.0015502400000000, -0.0005511600000000, -0.0015603600000000 ] - [ -0.0024358700000000, 0.0087769200000000, 0.0163960700000000 ] - [ 0.1195179600000000, 0.0012352100000000, 0.2266444300000000 ] - [ 0.0038212400000000, -0.0086748000000000, -0.0173257600000000 ] - [ 0.0003482100000000, 0.0001062400000000, -0.0007297200000000 ] - [ 0.0025239800000000, 0.0034512000000000, 0.0079644100000000 ] - [ 0.0017703800000000, 0.0024955100000000, -0.0038948500000000 ] - [ 0.0022592900000000, 0.0106172400000000, -0.0088973800000000 ] - [ -0.0021373300000000, 0.0003589800000000, -0.0011021800000000 ] - [ -0.0025857100000000, 0.0021840700000000, -0.0065417800000000 ] - [ -0.0086601100000000, 0.0075402200000000, 0.0066397600000000 ] - [ -0.0024199800000000, 0.0008057500000000, 0.0002275700000000 ] - [ -0.0014985800000000, -0.0013861400000000, 0.0010911300000000 ] - [ -0.1745269700000000, 0.0263110000000000, -0.3324236500000000 ] - [ 0.0021006000000000, -0.0017327600000000, 0.0013818200000000 ] - [ -0.0016808700000000, -0.0039244700000000, -0.0046733400000000 ] - [ 0.0026369300000000, 0.0009369400000000, 0.0012299200000000 ] - [ -0.0000803400000000, -0.0002583100000000, 0.0002525300000000 ] - [ 0.0013018900000000, -0.0003670600000000, 0.0020196700000000 ] - [ 0.0006167200000000, -0.0004328700000000, -0.0003884300000000 ] - [ -0.0022619000000000, -0.0029767900000000, 0.0025489700000000 ] - [ 0.0002167300000000, 0.0007680200000000, 0.0003717600000000 ] - [ -0.0007407400000000, 0.0024604800000000, 0.0016995900000000 ] - [ 0.0151564100000000, -0.0073545500000000, -0.0085236600000000 ] - [ -0.0005573700000000, 0.0014950600000000, -0.0012425100000000 ] - [ 0.0004080300000000, 0.0001267000000000, -0.0001504900000000 ] - [ 0.0012642600000000, -0.0004295600000000, -0.0044589600000000 ] - [ 0.0004697000000000, -0.0000238500000000, 0.0005420800000000 ] - [ 0.0017476100000000, -0.0028432700000000, 0.0024025000000000 ] - [ 0.0011970500000000, -0.0000084500000000, -0.0006662900000000 ] - [ 0.0002867800000000, -0.0002051600000000, 0.0001565800000000 ] - [ 0.0016184300000000, 0.0009459900000000, 0.0018906300000000 ] - [ -0.0008838200000000, 0.0002590800000000, 0.0012419900000000 ] - [ 0.0019846900000000, -0.0000846100000000, 0.0006046700000000 ] - [ 0.0015283000000000, 0.0009365500000000, -0.0026846500000000 ] - [ -0.0017539800000000, 0.0022151300000000, -0.0029504600000000 ] - [ 0.0012811000000000, -0.0005580100000000, -0.0003437600000000 ] - [ -0.0011894900000000, -0.0010421900000000, 0.0003798800000000 ] - [ -0.0129508700000000, -0.0106358300000000, -0.0006691200000000 ] - [ -0.0023028900000000, 0.0000644200000000, 0.0066490900000000 ] - [ -0.0008806000000000, -0.0025494000000000, 0.0008902700000000 ] - [ 0.0088947300000000, -0.0104874700000000, -0.0079289900000000 ] - [ 0.0003568000000000, -0.0006650100000000, -0.0008271100000000 ] - [ 0.0175500300000000, 0.0208896200000000, 0.0263570800000000 ] - [ 0.0011434700000000, 0.0002411200000000, 0.0005481000000000 ] - [ 0.0012518100000000, 0.0001503300000000, 0.0019868600000000 ] - [ 0.0004126100000000, 0.0007124100000000, 0.0000116400000000 ] - [ 0.0018984400000000, 0.0031809800000000, 0.0095680600000000 ] - [ 0.0136732500000000, 0.0067060500000000, 0.0032348100000000 ] - [ -0.0002330500000000, 0.0008462100000000, 0.0001869300000000 ] - [ 0.0079375200000000, -0.0256400800000000, 0.0466187300000000 ] - [ 0.0020307900000000, -0.0015351000000000, 0.0036069400000000 ] - [ -0.0039526300000000, -0.0014718900000000, -0.0045190800000000 ] - [ -0.0005263000000000, 0.0000391300000000, 0.0011643800000000 ] - [ -0.0061443400000000, 0.0123392100000000, 0.0148703300000000 ] - [ -0.0007747300000000, -0.0036752200000000, -0.0042012100000000 ] - [ -0.0002034000000000, 0.0009074000000000, -0.0006704400000000 ] - [ 0.0005345300000000, -0.0001364300000000, 0.0001546200000000 ] - [ 0.0005798900000000, 0.0004338600000000, -0.0001303100000000 ] - [ 0.0021383900000000, -0.0029866300000000, -0.0014554100000000 ] - [ 0.0026520900000000, 0.0004112000000000, -0.0023047200000000 ] - [ -0.0007948500000000, -0.0002911400000000, 0.0015975900000000 ] - [ -0.0022997900000000, 0.0005070300000000, 0.0016650500000000 ] - [ 0.0005733700000000, -0.0005468200000000, 0.0003029200000000 ] - [ -0.0027251200000000, -0.0009920100000000, 0.0035906600000000 ] - [ -0.0038215700000000, -0.0002607300000000, 0.0013902600000000 ] - [ -0.0011624200000000, 0.0008806700000000, -0.0002844900000000 ] - [ 0.0024536600000000, -0.0021733200000000, 0.0008231600000000 ] - [ 0.0011067600000000, -0.0118026900000000, 0.0129077100000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002708400000000, 0.0003197800000000, 0.0022148800000000 ] - [ -0.0007685000000000, -0.0000401800000000, -0.0024340400000000 ] - [ 0.0004172600000000, -0.0002559700000000, 0.0011674800000000 ] - [ 0.0008851300000000, 0.0021040800000000, -0.0031493000000000 ] - [ -0.0089182500000000, -0.0149927200000000, 0.0145887000000000 ] - [ 0.0009043500000000, 0.0001913800000000, 0.0026894000000000 ] - [ -0.0023292000000000, 0.0000706900000000, -0.0039193600000000 ] - [ -0.0037720700000000, 0.0105725300000000, 0.0144832400000000 ] - [ 0.0018880200000000, 0.0015064300000000, -0.0024480900000000 ] - [ -0.0037778300000000, 0.0143675300000000, -0.0297322500000000 ] - [ 0.0020248300000000, -0.0017094300000000, -0.0004924000000000 ] - [ 0.0013222400000000, 0.0008875100000000, 0.0026985400000000 ] - [ 0.0022730800000000, -0.0083496900000000, -0.0162372100000000 ] - [ -0.1298939500000000, -0.0014584100000000, -0.2387419700000000 ] - [ -0.0034848700000000, 0.0087960900000000, 0.0173354400000000 ] - [ -0.0000764600000000, 0.0001011900000000, 0.0006257900000000 ] - [ -0.0027686300000000, -0.0036815700000000, -0.0078537000000000 ] - [ -0.0017741600000000, -0.0028242200000000, 0.0038808400000000 ] - [ -0.0025075500000000, -0.0103261900000000, 0.0089455500000000 ] - [ 0.0018478500000000, -0.0001320400000000, 0.0009766400000000 ] - [ 0.0025810200000000, -0.0024803400000000, 0.0065015500000000 ] - [ 0.0086246600000000, -0.0071951300000000, -0.0066006300000000 ] - [ 0.0026825500000000, -0.0010233900000000, -0.0003204200000000 ] - [ 0.0011718000000000, 0.0011481700000000, -0.0011545300000000 ] - [ 0.1835846400000000, -0.0252257700000000, 0.3421739200000000 ] - [ -0.0019036500000000, 0.0029159900000000, -0.0015009200000000 ] - [ 0.0019681800000000, 0.0033946400000000, 0.0034470400000000 ] - [ -0.0010954600000000, -0.0028451300000000, -0.0007585300000000 ] - [ 0.0000737600000000, -0.0005053000000000, 0.0002421700000000 ] - [ -0.0000114600000000, 0.0003512500000000, -0.0008151700000000 ] - [ -0.0003875000000000, -0.0007304000000000, 0.0005034200000000 ] - [ 0.0030117300000000, 0.0036767700000000, -0.0029750600000000 ] - [ -0.0004460200000000, 0.0003927800000000, -0.0002577500000000 ] - [ 0.0007281500000000, -0.0032017900000000, -0.0022007000000000 ] - [ -0.0152335200000000, 0.0067093600000000, 0.0074172000000000 ] - [ 0.0020506300000000, 0.0004273800000000, 0.0007744900000000 ] - [ -0.0005180700000000, -0.0003367500000000, 0.0000330500000000 ] - [ 0.0000166800000000, 0.0004336200000000, 0.0032613700000000 ] - [ -0.0004734200000000, 0.0008112900000000, -0.0000671700000000 ] - [ -0.0014465000000000, 0.0033454300000000, -0.0036003900000000 ] - [ 0.0000869400000000, 0.0000213200000000, 0.0018315900000000 ] - [ -0.0001544800000000, 0.0003975200000000, -0.0002518700000000 ] - [ -0.0008617100000000, -0.0002546700000000, -0.0014578000000000 ] - [ 0.0001335000000000, 0.0004405100000000, -0.0008114400000000 ] - [ -0.0004375500000000, -0.0018192800000000, -0.0010737500000000 ] - [ -0.0011757300000000, -0.0014226000000000, 0.0038454100000000 ] - [ 0.0016175700000000, -0.0023967300000000, 0.0030457800000000 ] - [ -0.0015212400000000, -0.0005871800000000, 0.0004509500000000 ] - [ -0.0003689900000000, -0.0008594000000000, -0.0008464500000000 ] - [ 0.0129541200000000, 0.0093206100000000, 0.0004808700000000 ] - [ 0.0035693300000000, -0.0000718600000000, -0.0078032100000000 ] - [ 0.0007423800000000, 0.0027206500000000, -0.0007937900000000 ] - [ -0.0080986000000000, 0.0097339500000000, 0.0074111000000000 ] - [ -0.0016300700000000, 0.0006710600000000, 0.0020049200000000 ] - [ -0.0177916600000000, -0.0202753700000000, -0.0268535900000000 ] - [ -0.0008774800000000, 0.0008993600000000, -0.0004365400000000 ] - [ -0.0009428100000000, 0.0003570600000000, -0.0007740400000000 ] - [ 0.0011282500000000, 0.0011892000000000, 0.0004528300000000 ] - [ -0.0031833200000000, -0.0031771500000000, -0.0107358000000000 ] - [ -0.0149644600000000, -0.0047100100000000, -0.0027081400000000 ] - [ 0.0002414800000000, -0.0000580300000000, 0.0002943800000000 ] - [ -0.0080369600000000, 0.0258858400000000, -0.0472872100000000 ] - [ -0.0027689800000000, 0.0022112500000000, -0.0040086100000000 ] - [ 0.0032291500000000, 0.0007077700000000, 0.0040303700000000 ] - [ 0.0002293400000000, 0.0004768200000000, 0.0000431500000000 ] - [ 0.0062069100000000, -0.0120195400000000, -0.0146337700000000 ] - [ 0.0007740100000000, 0.0044703700000000, 0.0037389200000000 ] - [ -0.0013143600000000, 0.0010090500000000, 0.0001981600000000 ] - [ -0.0004034100000000, -0.0000586900000000, -0.0002548500000000 ] - [ -0.0007088400000000, -0.0002504500000000, 0.0000532000000000 ] - [ -0.0013343300000000, 0.0022471000000000, 0.0018812100000000 ] - [ -0.0033729100000000, -0.0010866000000000, 0.0027077200000000 ] - [ -0.0004882600000000, 0.0002823500000000, -0.0004030100000000 ] - [ 0.0020643500000000, 0.0006498100000000, -0.0017700200000000 ] - [ -0.0005623400000000, -0.0002277800000000, 0.0001926200000000 ] - [ 0.0024010500000000, 0.0014943500000000, -0.0047722700000000 ] - [ 0.0023375500000000, -0.0016784800000000, -0.0009143800000000 ] - [ 0.0009316300000000, -0.0020486500000000, 0.0001559400000000 ] - [ -0.0027473500000000, 0.0016575600000000, 0.0003778300000000 ] - [ -0.0011003700000000, 0.0109495000000000, -0.0133075400000000 ]- atom: 26 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009710400000000, 0.0013152900000000, 0.0011739500000000 ] - [ 0.0003160800000000, 0.0006049600000000, 0.0002302400000000 ] - [ 0.0008934200000000, -0.0001511000000000, 0.0000028200000000 ] - [ -0.0006957900000000, 0.0002898400000000, -0.0008361200000000 ] - [ 0.3701728100000000, -0.1774538500000000, 0.0323476100000000 ] - [ -0.0028118700000000, 0.0012304700000000, -0.0001081300000000 ] - [ 0.0023607700000000, 0.0001278500000000, -0.0023351800000000 ] - [ 0.0061363100000000, 0.0049621000000000, 0.0015228000000000 ] - [ -0.0029785800000000, -0.0000922600000000, 0.0010257700000000 ] - [ 0.0001041500000000, 0.0008915300000000, -0.0012022500000000 ] - [ -0.0072701000000000, -0.0005476400000000, 0.0039645200000000 ] - [ -0.0058272000000000, -0.0001777700000000, 0.0008211600000000 ] - [ 0.0018383900000000, -0.0023218500000000, 0.0006017900000000 ] - [ 0.0050980600000000, 0.0048094200000000, -0.0055316800000000 ] - [ 0.0098006600000000, -0.0036896800000000, 0.0036004000000000 ] - [ -0.0040267800000000, 0.0004766000000000, -0.0006462300000000 ] - [ 0.0048264600000000, -0.0107149700000000, -0.0013383300000000 ] - [ -0.0092238400000000, -0.0071099000000000, 0.0044730000000000 ] - [ 0.0038329600000000, -0.0001667900000000, -0.0006972300000000 ] - [ -0.0070455000000000, -0.0038327700000000, -0.0005259600000000 ] - [ 0.0019436000000000, -0.0042392200000000, -0.0034432100000000 ] - [ -0.0013729800000000, -0.0001983300000000, -0.0012918100000000 ] - [ -0.0015719200000000, -0.0002016300000000, 0.0003131700000000 ] - [ -0.0004045200000000, 0.0001041700000000, -0.0005317000000000 ] - [ -0.0007165900000000, -0.0011359700000000, 0.0014137900000000 ] - [ -0.3523413900000000, 0.1721906800000000, -0.0367844500000000 ] - [ 0.0011346800000000, 0.0018085900000000, 0.0005920900000000 ] - [ -0.0021788000000000, -0.0044303900000000, -0.0003499500000000 ] - [ 0.0007054600000000, -0.0006135300000000, 0.0002446800000000 ] - [ 0.0028894000000000, 0.0001791600000000, 0.0019634200000000 ] - [ 0.0028170700000000, 0.0005580500000000, -0.0001422700000000 ] - [ 0.0104763500000000, 0.0124445700000000, -0.0081063800000000 ] - [ 0.0030871600000000, 0.0020795800000000, 0.0012183300000000 ] - [ -0.0022075800000000, 0.0017118200000000, 0.0003170500000000 ] - [ -0.0032397600000000, 0.0008351900000000, 0.0010264900000000 ] - [ 0.0025752200000000, -0.0001241300000000, 0.0001625200000000 ] - [ 0.0000783000000000, -0.0000949800000000, 0.0001101500000000 ] - [ -0.0013139100000000, 0.0012234200000000, 0.0015913400000000 ] - [ 0.0004204600000000, 0.0005197600000000, 0.0000959900000000 ] - [ -0.0004864300000000, 0.0026055200000000, -0.0026690100000000 ] - [ 0.0009435300000000, 0.0000985800000000, 0.0009047700000000 ] - [ 0.0015497800000000, -0.0011424600000000, 0.0008489300000000 ] - [ 0.0006071800000000, 0.0011743500000000, 0.0011066000000000 ] - [ 0.0029901300000000, -0.0003386300000000, -0.0018035800000000 ] - [ 0.0026209500000000, -0.0002697000000000, -0.0007368900000000 ] - [ -0.0001613500000000, -0.0000061700000000, 0.0007516700000000 ] - [ -0.0025464900000000, 0.0022715300000000, -0.0019507600000000 ] - [ 0.0003289100000000, -0.0008251500000000, 0.0000239600000000 ] - [ 0.0006277900000000, -0.0024854400000000, 0.0005478800000000 ] - [ -0.0004228600000000, -0.0009039400000000, -0.0000269100000000 ] - [ -0.0013318900000000, -0.0007075500000000, 0.0004680000000000 ] - [ -0.0008321100000000, -0.0001634100000000, 0.0001903200000000 ] - [ 0.0005799000000000, -0.0003363200000000, 0.0000040600000000 ] - [ 0.0000608900000000, -0.0003912400000000, -0.0004395800000000 ] - [ -0.0008582700000000, -0.0025820900000000, -0.0008365900000000 ] - [ 0.0013453900000000, 0.0000335900000000, -0.0001602100000000 ] - [ 0.0023649200000000, 0.0032131500000000, 0.0017033600000000 ] - [ -0.0000388600000000, 0.0011937600000000, 0.0004910800000000 ] - [ -0.0103476200000000, -0.0038011200000000, -0.0135467400000000 ] - [ -0.0006061600000000, 0.0009495300000000, 0.0002783300000000 ] - [ 0.0000455800000000, 0.0000320500000000, 0.0007003900000000 ] - [ -0.0101266600000000, -0.0101369600000000, 0.0103579900000000 ] - [ -0.0017400000000000, 0.0011156600000000, -0.0003352000000000 ] - [ -0.0010198500000000, -0.0001638800000000, -0.0004907200000000 ] - [ 0.0032181400000000, 0.0024490200000000, 0.0016724300000000 ] - [ -0.0009849100000000, 0.0000241000000000, -0.0016047300000000 ] - [ -0.0003149000000000, 0.0121992200000000, 0.0114323300000000 ] - [ 0.0025372400000000, 0.0010992100000000, -0.0019053400000000 ] - [ 0.0006058900000000, 0.0002223100000000, 0.0001685800000000 ] - [ 0.0016519100000000, 0.0021024600000000, -0.0013867200000000 ] - [ -0.0003297900000000, 0.0007798200000000, -0.0008723700000000 ] - [ 0.0003264500000000, 0.0000116800000000, 0.0001997000000000 ] - [ 0.0009039200000000, -0.0002889800000000, 0.0000875400000000 ] - [ -0.0019771800000000, -0.0007932600000000, 0.0000881400000000 ] - [ 0.0037856800000000, 0.0010829900000000, -0.0007943100000000 ] - [ -0.0033785600000000, 0.0004082800000000, 0.0004631500000000 ] - [ -0.0142422300000000, 0.0028697200000000, 0.0005192500000000 ] - [ -0.0009094600000000, -0.0001981100000000, 0.0002890700000000 ] - [ 0.0008104300000000, -0.0006251200000000, 0.0010562800000000 ] - [ -0.0005586200000000, -0.0008432700000000, 0.0002636300000000 ]- atom: 26 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0009733200000000, -0.0017303300000000, -0.0011550300000000 ] - [ -0.0003252500000000, -0.0001712700000000, -0.0002320200000000 ] - [ -0.0010628400000000, -0.0001335300000000, -0.0001565000000000 ] - [ 0.0007032200000000, 0.0001423000000000, 0.0008251400000000 ] - [ -0.3543610300000000, 0.1679881400000000, -0.0314445200000000 ] - [ 0.0030104000000000, -0.0008863500000000, 0.0012538400000000 ] - [ -0.0025833500000000, -0.0004750000000000, 0.0011789600000000 ] - [ -0.0063550000000000, -0.0045481700000000, -0.0026705100000000 ] - [ 0.0027519900000000, -0.0002244300000000, 0.0001084000000000 ] - [ 0.0001245100000000, -0.0012291900000000, 0.0000458300000000 ] - [ 0.0074781900000000, 0.0001930100000000, -0.0028399400000000 ] - [ 0.0056234000000000, 0.0005086100000000, 0.0003390700000000 ] - [ -0.0018787800000000, 0.0026239600000000, -0.0006078400000000 ] - [ -0.0048519000000000, -0.0050164600000000, 0.0056483200000000 ] - [ -0.0095674900000000, 0.0038577500000000, -0.0035286300000000 ] - [ 0.0043139600000000, -0.0002620300000000, 0.0005568000000000 ] - [ -0.0050398500000000, 0.0105334600000000, 0.0015257400000000 ] - [ 0.0092755600000000, 0.0068066800000000, -0.0044736400000000 ] - [ -0.0040644700000000, 0.0003842700000000, 0.0007814600000000 ] - [ 0.0067638800000000, 0.0040669100000000, 0.0004346000000000 ] - [ -0.0019876500000000, 0.0039449300000000, 0.0034616000000000 ] - [ 0.0014117000000000, 0.0005202200000000, 0.0012990300000000 ] - [ 0.0018547300000000, -0.0000131200000000, -0.0004199900000000 ] - [ 0.0001266300000000, -0.0003140000000000, 0.0004231100000000 ] - [ -0.0005447500000000, 0.0011246600000000, -0.0025586800000000 ] - [ 0.3377378900000000, -0.1615957800000000, 0.0347677000000000 ] - [ -0.0008620700000000, -0.0023326700000000, -0.0018153800000000 ] - [ 0.0038072700000000, 0.0025527500000000, 0.0008173500000000 ] - [ -0.0007135800000000, -0.0001281700000000, 0.0002684400000000 ] - [ -0.0016276900000000, -0.0001757600000000, -0.0008389300000000 ] - [ -0.0025312700000000, -0.0016840500000000, 0.0002528200000000 ] - [ -0.0097522400000000, -0.0117040000000000, 0.0076602300000000 ] - [ -0.0033922700000000, -0.0009598200000000, -0.0011167300000000 ] - [ 0.0022103200000000, -0.0024437100000000, -0.0008235500000000 ] - [ 0.0029489200000000, -0.0013528900000000, -0.0022349200000000 ] - [ -0.0009698200000000, 0.0019933600000000, -0.0006247900000000 ] - [ -0.0002241800000000, -0.0000673300000000, -0.0001718700000000 ] - [ 0.0025754700000000, -0.0012266300000000, -0.0027535600000000 ] - [ -0.0004285300000000, 0.0002232000000000, 0.0004239000000000 ] - [ 0.0007628800000000, -0.0020799000000000, 0.0014470600000000 ] - [ 0.0003139700000000, -0.0001041100000000, 0.0002400000000000 ] - [ -0.0014053100000000, 0.0013056800000000, -0.0009213100000000 ] - [ 0.0001230000000000, -0.0005203600000000, -0.0007073200000000 ] - [ -0.0037177300000000, 0.0010006100000000, 0.0022068500000000 ] - [ -0.0010056700000000, -0.0015979900000000, 0.0002636600000000 ] - [ 0.0004775400000000, -0.0005030400000000, 0.0004544600000000 ] - [ 0.0023864800000000, -0.0024640200000000, 0.0019955400000000 ] - [ -0.0006096800000000, -0.0003080700000000, 0.0000830700000000 ] - [ -0.0022321600000000, 0.0006142000000000, -0.0010188300000000 ] - [ 0.0007408700000000, -0.0002117600000000, -0.0000748400000000 ] - [ 0.0025841800000000, 0.0006968500000000, -0.0016071900000000 ] - [ 0.0006826400000000, 0.0003285100000000, -0.0001113900000000 ] - [ 0.0001247300000000, -0.0003188400000000, -0.0004024700000000 ] - [ -0.0013255200000000, 0.0003908800000000, 0.0015940400000000 ] - [ 0.0008605100000000, 0.0033045300000000, 0.0003061600000000 ] - [ -0.0010442500000000, 0.0010864900000000, 0.0002626600000000 ] - [ -0.0020424000000000, -0.0027311200000000, -0.0005148000000000 ] - [ 0.0016627700000000, 0.0006751500000000, -0.0000231300000000 ] - [ 0.0089911700000000, 0.0038317400000000, 0.0123531300000000 ] - [ -0.0010294900000000, 0.0009097200000000, 0.0001910800000000 ] - [ -0.0000396200000000, 0.0007099300000000, -0.0001755300000000 ] - [ 0.0101966000000000, 0.0099533600000000, -0.0102440100000000 ] - [ 0.0010423100000000, -0.0004772700000000, -0.0000620200000000 ] - [ 0.0003227700000000, -0.0004775400000000, 0.0000984900000000 ] - [ -0.0035387900000000, -0.0019440600000000, -0.0004731800000000 ] - [ 0.0011314700000000, 0.0001467200000000, 0.0016754100000000 ] - [ 0.0002600200000000, -0.0113917300000000, -0.0119011400000000 ] - [ -0.0041160000000000, 0.0007886600000000, 0.0014393000000000 ] - [ -0.0004622100000000, -0.0003817800000000, -0.0002373000000000 ] - [ -0.0017984800000000, -0.0019590100000000, 0.0013337200000000 ] - [ 0.0010579100000000, -0.0014382200000000, 0.0012801200000000 ] - [ -0.0010512200000000, -0.0006745200000000, 0.0002063000000000 ] - [ -0.0021695200000000, 0.0002972100000000, 0.0010552300000000 ] - [ 0.0016536800000000, 0.0018979300000000, -0.0001903600000000 ] - [ -0.0037946500000000, -0.0018235300000000, 0.0013260300000000 ] - [ 0.0030935600000000, 0.0001074500000000, -0.0016823400000000 ] - [ 0.0123172500000000, -0.0047103900000000, -0.0000510000000000 ] - [ 0.0006035700000000, -0.0009215800000000, -0.0003930900000000 ] - [ -0.0011264000000000, 0.0001199400000000, 0.0001470400000000 ] - [ 0.0005518500000000, 0.0000837700000000, -0.0007733900000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005327700000000, -0.0012547900000000, -0.0005413600000000 ] - [ -0.0000524400000000, -0.0001043700000000, -0.0001880300000000 ] - [ -0.0013997400000000, 0.0015923100000000, -0.0011146200000000 ] - [ 0.0003258200000000, 0.0003850100000000, 0.0004140500000000 ] - [ -0.1693537000000000, 0.1169631500000000, -0.0157207100000000 ] - [ 0.0014337600000000, -0.0013239100000000, 0.0009224300000000 ] - [ -0.0007210400000000, 0.0009395200000000, 0.0001156600000000 ] - [ -0.0030328200000000, -0.0079025400000000, -0.0015219200000000 ] - [ 0.0009576500000000, -0.0010412300000000, 0.0005625000000000 ] - [ 0.0006238300000000, -0.0019056100000000, 0.0000952500000000 ] - [ 0.0033697000000000, 0.0013585500000000, -0.0005072200000000 ] - [ 0.0020879800000000, 0.0015459600000000, 0.0003652000000000 ] - [ -0.0011217700000000, 0.0018715100000000, 0.0007887400000000 ] - [ -0.0037197400000000, -0.0064117500000000, 0.0060792200000000 ] - [ -0.0051043000000000, 0.0028038300000000, -0.0062648400000000 ] - [ 0.0012624500000000, -0.0005468100000000, -0.0003235800000000 ] - [ -0.0040807800000000, 0.0052825900000000, -0.0034301600000000 ] - [ 0.0017060900000000, 0.0008369000000000, -0.0005786600000000 ] - [ -0.0027172900000000, -0.0006799900000000, 0.0024557100000000 ] - [ 0.0001256100000000, 0.0022018900000000, 0.0005978900000000 ] - [ -0.0010989500000000, -0.0017333700000000, 0.0001736800000000 ] - [ 0.0002540500000000, -0.0003758100000000, 0.0000341600000000 ] - [ 0.0006691000000000, 0.0000758900000000, -0.0001048400000000 ] - [ -0.0002923400000000, -0.0004309000000000, 0.0002940600000000 ] - [ -0.0007375900000000, 0.0011937200000000, -0.0028882900000000 ] - [ 0.1651942100000000, -0.1091602500000000, 0.0179562200000000 ] - [ 0.0003833200000000, -0.0009088600000000, -0.0005545300000000 ] - [ 0.0024976800000000, 0.0021336600000000, 0.0006292600000000 ] - [ -0.0001842600000000, 0.0001684900000000, 0.0005839000000000 ] - [ 0.0002614900000000, -0.0003753900000000, 0.0005823700000000 ] - [ -0.0009938000000000, -0.0011869300000000, 0.0000833500000000 ] - [ 0.0013088900000000, -0.0062689500000000, 0.0028209100000000 ] - [ -0.0016524100000000, -0.0004571900000000, -0.0005231800000000 ] - [ 0.0009277300000000, -0.0025073900000000, 0.0001240500000000 ] - [ 0.0015911900000000, -0.0007739400000000, -0.0020854100000000 ] - [ -0.0001072000000000, 0.0015611600000000, -0.0004513800000000 ] - [ -0.0000187400000000, -0.0001561400000000, -0.0001668000000000 ] - [ 0.0013487600000000, -0.0010724700000000, -0.0006353600000000 ] - [ -0.0001303500000000, 0.0001913500000000, 0.0003333300000000 ] - [ 0.0006183100000000, -0.0006138800000000, -0.0000091600000000 ] - [ 0.0005306100000000, 0.0000036600000000, 0.0003762900000000 ] - [ -0.0003861400000000, 0.0004301900000000, -0.0001395700000000 ] - [ 0.0008184200000000, 0.0009702700000000, 0.0004077300000000 ] - [ -0.0002931600000000, 0.0001578400000000, 0.0000954800000000 ] - [ -0.0002166300000000, -0.0014221200000000, 0.0000420200000000 ] - [ 0.0005339200000000, -0.0002905700000000, 0.0003269900000000 ] - [ 0.0017799200000000, 0.0007316400000000, 0.0027587900000000 ] - [ -0.0003881600000000, -0.0003176300000000, 0.0000523200000000 ] - [ -0.0018193000000000, 0.0001477200000000, -0.0007245000000000 ] - [ 0.0004861800000000, -0.0002076800000000, -0.0000673700000000 ] - [ 0.0020760000000000, 0.0014167900000000, -0.0020433300000000 ] - [ 0.0001894900000000, -0.0000324600000000, -0.0007476400000000 ] - [ 0.0001101500000000, 0.0000807900000000, -0.0000562300000000 ] - [ -0.0008585400000000, 0.0000973300000000, 0.0009053200000000 ] - [ 0.0005076600000000, 0.0035778400000000, 0.0006977800000000 ] - [ -0.0003902200000000, 0.0009172800000000, 0.0001640000000000 ] - [ 0.0010893900000000, 0.0002857900000000, 0.0005306900000000 ] - [ 0.0011369700000000, 0.0007540600000000, 0.0000772100000000 ] - [ -0.0001588200000000, 0.0035526500000000, 0.0093993000000000 ] - [ -0.0009901100000000, 0.0009660900000000, 0.0002068600000000 ] - [ 0.0000410500000000, 0.0007093900000000, -0.0000467600000000 ] - [ 0.0014390200000000, 0.0088482200000000, -0.0078226200000000 ] - [ -0.0005006500000000, 0.0017040900000000, -0.0005442000000000 ] - [ -0.0003137800000000, -0.0008873700000000, -0.0004362500000000 ] - [ -0.0008613900000000, -0.0001051600000000, 0.0004184400000000 ] - [ 0.0004977700000000, 0.0005841000000000, 0.0017665600000000 ] - [ 0.0035118200000000, -0.0083147100000000, -0.0044021100000000 ] - [ -0.0029230100000000, 0.0004515600000000, 0.0006780300000000 ] - [ -0.0000977200000000, -0.0001687800000000, -0.0001518900000000 ] - [ -0.0002825600000000, -0.0003966800000000, 0.0000435300000000 ] - [ 0.0009077100000000, -0.0011126500000000, 0.0005460600000000 ] - [ -0.0004080100000000, -0.0001537600000000, 0.0001432200000000 ] - [ -0.0012393700000000, 0.0003753000000000, 0.0007074900000000 ] - [ 0.0012194400000000, 0.0018539700000000, -0.0002085900000000 ] - [ -0.0007253400000000, -0.0015877000000000, 0.0001684900000000 ] - [ 0.0014494300000000, 0.0007095500000000, -0.0005775200000000 ] - [ 0.0033520600000000, -0.0079783200000000, 0.0000874400000000 ] - [ 0.0002249700000000, -0.0009003400000000, -0.0001763800000000 ] - [ -0.0004200100000000, -0.0000862900000000, 0.0005099400000000 ] - [ 0.0004098400000000, 0.0007231000000000, -0.0013669400000000 ]- atom: 26 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005259600000000, 0.0008166400000000, 0.0005377500000000 ] - [ 0.0000511100000000, 0.0005372800000000, 0.0001877500000000 ] - [ 0.0013009100000000, -0.0019784100000000, 0.0010357100000000 ] - [ -0.0003211700000000, 0.0000501200000000, -0.0004115100000000 ] - [ 0.1729190000000000, -0.1165776200000000, 0.0149636300000000 ] - [ -0.0012339700000000, 0.0016606100000000, 0.0002285900000000 ] - [ 0.0005118300000000, -0.0012739100000000, -0.0012649200000000 ] - [ 0.0027948600000000, 0.0081682400000000, 0.0003757600000000 ] - [ -0.0011585600000000, 0.0006914100000000, 0.0005859400000000 ] - [ -0.0004003500000000, 0.0015518100000000, -0.0012427500000000 ] - [ -0.0031529500000000, -0.0016869000000000, 0.0016547100000000 ] - [ -0.0022889000000000, -0.0011936100000000, 0.0007819100000000 ] - [ 0.0010953900000000, -0.0015554500000000, -0.0007818200000000 ] - [ 0.0039768400000000, 0.0061738200000000, -0.0059558500000000 ] - [ 0.0053572300000000, -0.0026061400000000, 0.0063314500000000 ] - [ -0.0009876900000000, 0.0007535100000000, 0.0002246000000000 ] - [ 0.0037989500000000, -0.0054382500000000, 0.0035077300000000 ] - [ -0.0016887200000000, -0.0011533300000000, 0.0005813000000000 ] - [ 0.0024453800000000, 0.0008833600000000, -0.0023262200000000 ] - [ -0.0004152700000000, -0.0019861600000000, -0.0006964600000000 ] - [ 0.0010771100000000, 0.0014039400000000, -0.0001665900000000 ] - [ -0.0002361800000000, 0.0006871500000000, -0.0000370900000000 ] - [ -0.0003955100000000, -0.0002927000000000, 0.0000025200000000 ] - [ 0.0000166200000000, 0.0002224300000000, -0.0003951900000000 ] - [ -0.0005297800000000, -0.0011981400000000, 0.0017391100000000 ] - [ -0.1684057100000000, 0.1102276800000000, -0.0183620900000000 ] - [ -0.0000895000000000, 0.0003866700000000, -0.0006533500000000 ] - [ -0.0008690800000000, -0.0039738800000000, -0.0001591000000000 ] - [ 0.0001767300000000, -0.0008969000000000, -0.0000651200000000 ] - [ 0.0009993100000000, 0.0003768600000000, 0.0005589600000000 ] - [ 0.0012870400000000, 0.0000599100000000, 0.0000231900000000 ] - [ -0.0005714000000000, 0.0069037500000000, -0.0032359800000000 ] - [ 0.0013912300000000, 0.0015974600000000, 0.0006316500000000 ] - [ -0.0009244800000000, 0.0017503600000000, -0.0006261100000000 ] - [ -0.0018771200000000, 0.0002586800000000, 0.0008684300000000 ] - [ 0.0017002800000000, 0.0003191600000000, -0.0000182100000000 ] - [ -0.0001289000000000, -0.0000057200000000, 0.0001076600000000 ] - [ -0.0000849700000000, 0.0010584300000000, -0.0005087000000000 ] - [ 0.0001249600000000, 0.0005513700000000, 0.0001860700000000 ] - [ -0.0003241600000000, 0.0011316600000000, -0.0012060000000000 ] - [ 0.0007231900000000, -0.0000086700000000, 0.0007641400000000 ] - [ 0.0005340400000000, -0.0002691400000000, 0.0000723800000000 ] - [ -0.0000857200000000, -0.0003066600000000, -0.0000017100000000 ] - [ -0.0004205500000000, 0.0004972200000000, 0.0003023500000000 ] - [ 0.0017777900000000, -0.0004765900000000, -0.0005117000000000 ] - [ -0.0002190800000000, -0.0002203400000000, 0.0008783000000000 ] - [ -0.0019105200000000, -0.0008742100000000, -0.0026610700000000 ] - [ 0.0000949600000000, -0.0008088900000000, 0.0000538500000000 ] - [ 0.0002124100000000, -0.0020185200000000, 0.0002537500000000 ] - [ -0.0001890700000000, -0.0009181800000000, -0.0000385700000000 ] - [ -0.0008039800000000, -0.0013976700000000, 0.0008739200000000 ] - [ -0.0003373100000000, 0.0001941200000000, 0.0008080000000000 ] - [ 0.0006027900000000, -0.0007317700000000, -0.0003403800000000 ] - [ -0.0004027500000000, -0.0000958800000000, 0.0002499100000000 ] - [ -0.0005058300000000, -0.0028194700000000, -0.0012117900000000 ] - [ 0.0006859900000000, 0.0002079900000000, -0.0000585600000000 ] - [ -0.0007715100000000, 0.0002158700000000, 0.0006656200000000 ] - [ 0.0004763300000000, 0.0011190400000000, 0.0003910900000000 ] - [ -0.0010467000000000, -0.0035499400000000, -0.0105643400000000 ] - [ -0.0006186400000000, 0.0009083300000000, 0.0002636700000000 ] - [ -0.0000355500000000, 0.0000350700000000, 0.0005677100000000 ] - [ -0.0012349200000000, -0.0090188200000000, 0.0078976200000000 ] - [ -0.0002170000000000, -0.0010403000000000, 0.0001362200000000 ] - [ -0.0003965800000000, 0.0002324000000000, 0.0000354200000000 ] - [ 0.0005516500000000, 0.0006158800000000, 0.0007828200000000 ] - [ -0.0003501800000000, -0.0004191400000000, -0.0016916400000000 ] - [ -0.0035179700000000, 0.0090006500000000, 0.0038739600000000 ] - [ 0.0013136600000000, 0.0014194500000000, -0.0011429400000000 ] - [ 0.0002438300000000, 0.0000098200000000, 0.0000861600000000 ] - [ 0.0001322400000000, 0.0005472300000000, -0.0000983000000000 ] - [ -0.0001786600000000, 0.0004478500000000, -0.0001396300000000 ] - [ -0.0003088000000000, -0.0005004900000000, 0.0002599400000000 ] - [ -0.0000250600000000, -0.0003660700000000, 0.0004366700000000 ] - [ -0.0015159000000000, -0.0007240100000000, 0.0001012300000000 ] - [ 0.0007404500000000, 0.0008444300000000, 0.0003433500000000 ] - [ -0.0017399100000000, -0.0001897500000000, -0.0006323700000000 ] - [ -0.0048490400000000, 0.0061658700000000, 0.0003864800000000 ] - [ -0.0005241600000000, -0.0002258700000000, 0.0000707100000000 ] - [ 0.0001108400000000, -0.0004209900000000, 0.0006983500000000 ] - [ -0.0004092100000000, -0.0014650200000000, 0.0008380500000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000462700000000, -0.0000529100000000, 0.0003699900000000 ] - [ 0.0000879700000000, 0.0001578300000000, -0.0002155800000000 ] - [ 0.0030375200000000, -0.0026032900000000, 0.0033226500000000 ] - [ -0.0001781400000000, 0.0003614100000000, -0.0003795100000000 ] - [ 0.0336752500000000, -0.0167548300000000, 0.0321161900000000 ] - [ -0.0008736000000000, 0.0006176800000000, 0.0001860800000000 ] - [ 0.0004295700000000, 0.0004434900000000, -0.0043359600000000 ] - [ 0.0009230700000000, 0.0006054900000000, 0.0019583800000000 ] - [ -0.0004916600000000, -0.0000885800000000, 0.0007338800000000 ] - [ 0.0002366700000000, -0.0003279100000000, -0.0021611500000000 ] - [ 0.0011666300000000, -0.0002030900000000, 0.0008836200000000 ] - [ -0.0011830200000000, -0.0004779800000000, 0.0003364400000000 ] - [ 0.0004953600000000, 0.0001179300000000, -0.0016592500000000 ] - [ 0.0015759200000000, 0.0032037300000000, -0.0031487200000000 ] - [ 0.0002187300000000, -0.0036301700000000, -0.0032499300000000 ] - [ -0.0000593000000000, 0.0001096400000000, 0.0009604300000000 ] - [ -0.0002978600000000, -0.0061673100000000, -0.0025603900000000 ] - [ 0.0001835100000000, 0.0004629400000000, 0.0000707100000000 ] - [ 0.0007053600000000, 0.0008024600000000, -0.0006148700000000 ] - [ -0.0009647900000000, 0.0003773600000000, 0.0009889600000000 ] - [ -0.0004553700000000, -0.0015457200000000, 0.0008690200000000 ] - [ -0.0004385700000000, -0.0003421500000000, -0.0009806100000000 ] - [ -0.0000544700000000, 0.0000193300000000, -0.0009091100000000 ] - [ 0.0000928500000000, 0.0000882000000000, -0.0008008300000000 ] - [ -0.0003406200000000, -0.0005875500000000, 0.0008483400000000 ] - [ -0.0348020900000000, 0.0182986900000000, -0.0300216600000000 ] - [ 0.0008938900000000, 0.0008712500000000, 0.0002030000000000 ] - [ 0.0002326800000000, -0.0014350400000000, -0.0002825500000000 ] - [ 0.0000390000000000, -0.0006013400000000, -0.0001176300000000 ] - [ 0.0007885700000000, 0.0000220400000000, 0.0001791100000000 ] - [ 0.0003052100000000, -0.0005541700000000, 0.0000725400000000 ] - [ -0.0017879400000000, 0.0019847200000000, -0.0015937100000000 ] - [ 0.0010415600000000, 0.0011517200000000, 0.0004556200000000 ] - [ -0.0004015600000000, 0.0001326300000000, 0.0024479000000000 ] - [ -0.0008426600000000, -0.0002511700000000, 0.0002607100000000 ] - [ 0.0011139300000000, 0.0007517700000000, -0.0001809100000000 ] - [ -0.0001716800000000, 0.0001144400000000, 0.0003304100000000 ] - [ 0.0001634100000000, 0.0003006300000000, 0.0011335500000000 ] - [ 0.0000443800000000, 0.0001688400000000, 0.0006447000000000 ] - [ -0.0000794000000000, 0.0003102900000000, -0.0007800800000000 ] - [ 0.0007125500000000, -0.0000106700000000, 0.0009093100000000 ] - [ -0.0000232400000000, 0.0004086100000000, -0.0005594000000000 ] - [ 0.0005550100000000, 0.0005348300000000, 0.0001655400000000 ] - [ -0.0004646300000000, 0.0003485500000000, 0.0003244600000000 ] - [ 0.0009048400000000, -0.0008422500000000, -0.0002908500000000 ] - [ -0.0001764400000000, -0.0005202200000000, 0.0011420500000000 ] - [ -0.0003483000000000, 0.0016899300000000, -0.0006119200000000 ] - [ -0.0001374300000000, -0.0005866200000000, 0.0000412600000000 ] - [ -0.0001179300000000, -0.0016267400000000, 0.0000858400000000 ] - [ 0.0001460600000000, -0.0005637800000000, 0.0001190700000000 ] - [ 0.0002366000000000, -0.0010023700000000, -0.0007979500000000 ] - [ -0.0001997600000000, -0.0000506000000000, 0.0005204200000000 ] - [ 0.0002462600000000, -0.0000336600000000, 0.0001930000000000 ] - [ -0.0007712900000000, 0.0000978000000000, 0.0010798000000000 ] - [ -0.0003729800000000, -0.0007111800000000, -0.0005235400000000 ] - [ 0.0003323600000000, 0.0004649600000000, 0.0000364400000000 ] - [ 0.0008511200000000, 0.0004479800000000, 0.0000365800000000 ] - [ 0.0007722900000000, 0.0008979700000000, 0.0006105100000000 ] - [ -0.0066198300000000, 0.0044430200000000, -0.0011550700000000 ] - [ -0.0008028000000000, 0.0009525500000000, 0.0003903300000000 ] - [ -0.0000154000000000, 0.0001418600000000, 0.0006133100000000 ] - [ 0.0017382200000000, -0.0048727100000000, 0.0022437300000000 ] - [ -0.0006582700000000, 0.0008536800000000, -0.0007606700000000 ] - [ -0.0001797200000000, -0.0000108800000000, 0.0006806300000000 ] - [ -0.0002816000000000, -0.0000439300000000, 0.0003061100000000 ] - [ -0.0003411300000000, 0.0012021200000000, 0.0009978900000000 ] - [ 0.0057708700000000, 0.0027297700000000, 0.0031216200000000 ] - [ -0.0018933600000000, 0.0009788000000000, -0.0000246600000000 ] - [ 0.0002481000000000, 0.0001243200000000, 0.0003815600000000 ] - [ 0.0001614600000000, 0.0002478000000000, -0.0004426700000000 ] - [ 0.0001823500000000, -0.0003410500000000, 0.0005002500000000 ] - [ -0.0001577600000000, -0.0001501600000000, 0.0002969000000000 ] - [ -0.0002457900000000, -0.0001217000000000, 0.0001326100000000 ] - [ -0.0002733500000000, 0.0004192200000000, -0.0002908700000000 ] - [ 0.0000591100000000, -0.0006398700000000, -0.0005415100000000 ] - [ -0.0000961100000000, 0.0011395800000000, -0.0007870500000000 ] - [ -0.0023340900000000, -0.0002461200000000, -0.0050849500000000 ] - [ -0.0004691600000000, -0.0004515400000000, 0.0003759500000000 ] - [ 0.0001224700000000, -0.0003956200000000, 0.0010077100000000 ] - [ -0.0001339300000000, -0.0007530100000000, 0.0001784100000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000425900000000, -0.0003901200000000, -0.0003780800000000 ] - [ -0.0000896200000000, 0.0002729800000000, 0.0002174300000000 ] - [ -0.0031426000000000, 0.0022528300000000, -0.0033644100000000 ] - [ 0.0001792900000000, 0.0000736800000000, 0.0003863000000000 ] - [ -0.0354730200000000, 0.0181340200000000, -0.0337642800000000 ] - [ 0.0010846500000000, -0.0002787000000000, 0.0009611600000000 ] - [ -0.0006508800000000, -0.0007954900000000, 0.0032126700000000 ] - [ -0.0011534000000000, -0.0002791200000000, -0.0031062700000000 ] - [ 0.0003023200000000, -0.0002564800000000, 0.0004136800000000 ] - [ -0.0000184500000000, -0.0000139000000000, 0.0010278200000000 ] - [ -0.0009466700000000, -0.0001371000000000, 0.0002567100000000 ] - [ 0.0010007500000000, 0.0008219500000000, 0.0008003600000000 ] - [ -0.0005082100000000, 0.0001893700000000, 0.0016637600000000 ] - [ -0.0013424500000000, -0.0034227700000000, 0.0032904600000000 ] - [ 0.0000116800000000, 0.0038715800000000, 0.0033667000000000 ] - [ 0.0003269100000000, 0.0000920500000000, -0.0010675500000000 ] - [ 0.0000476000000000, 0.0059612300000000, 0.0026763400000000 ] - [ -0.0001370700000000, -0.0007299100000000, -0.0000810300000000 ] - [ -0.0009683100000000, -0.0006036900000000, 0.0007200300000000 ] - [ 0.0007253100000000, -0.0001654500000000, -0.0010926500000000 ] - [ 0.0004403800000000, 0.0012708600000000, -0.0008704300000000 ] - [ 0.0004483700000000, 0.0006332700000000, 0.0009847800000000 ] - [ 0.0003125300000000, -0.0002207900000000, 0.0007989200000000 ] - [ -0.0003448000000000, -0.0002912800000000, 0.0006925400000000 ] - [ -0.0009192500000000, 0.0005943800000000, -0.0020133200000000 ] - [ 0.0367310600000000, -0.0180265800000000, 0.0304080500000000 ] - [ -0.0005882700000000, -0.0013912200000000, -0.0014259100000000 ] - [ 0.0013467100000000, -0.0004540800000000, 0.0007517100000000 ] - [ -0.0000496800000000, -0.0001459900000000, 0.0006194100000000 ] - [ 0.0004596600000000, -0.0000229300000000, 0.0009628000000000 ] - [ -0.0000812900000000, -0.0006068900000000, 0.0000424100000000 ] - [ 0.0024910600000000, -0.0013760900000000, 0.0012378300000000 ] - [ -0.0012945200000000, -0.0000024200000000, -0.0003445000000000 ] - [ 0.0004082600000000, -0.0008930000000000, -0.0029880800000000 ] - [ 0.0005514000000000, -0.0002775600000000, -0.0014955700000000 ] - [ 0.0004015300000000, 0.0011710600000000, -0.0002919000000000 ] - [ 0.0000254900000000, -0.0002832600000000, -0.0003960100000000 ] - [ 0.0011008100000000, -0.0003020800000000, -0.0022902300000000 ] - [ -0.0000516400000000, 0.0005760300000000, -0.0001296400000000 ] - [ 0.0003858500000000, 0.0002046200000000, -0.0004346000000000 ] - [ 0.0005452600000000, 0.0000115800000000, 0.0002475900000000 ] - [ 0.0001628400000000, -0.0002358800000000, 0.0004842400000000 ] - [ 0.0001737000000000, 0.0001241700000000, 0.0002419700000000 ] - [ -0.0002769900000000, 0.0003184800000000, 0.0000908900000000 ] - [ 0.0006295400000000, -0.0010706200000000, -0.0001758600000000 ] - [ 0.0005010300000000, -0.0000017500000000, 0.0000804500000000 ] - [ 0.0002037700000000, -0.0018535700000000, 0.0006772600000000 ] - [ -0.0000879500000000, -0.0005758900000000, 0.0000749600000000 ] - [ -0.0014390900000000, -0.0002703700000000, -0.0005573800000000 ] - [ 0.0001074500000000, -0.0005856900000000, -0.0002331000000000 ] - [ 0.0010274400000000, 0.0010144900000000, -0.0003491800000000 ] - [ 0.0000583700000000, 0.0002283400000000, -0.0004487900000000 ] - [ 0.0004683100000000, -0.0006287000000000, -0.0005980300000000 ] - [ -0.0004888400000000, -0.0000936200000000, 0.0000778900000000 ] - [ 0.0003733900000000, 0.0014595700000000, 0.0000062000000000 ] - [ -0.0000932100000000, 0.0006877200000000, 0.0000786200000000 ] - [ -0.0005263700000000, 0.0000617800000000, 0.0011818400000000 ] - [ 0.0007924400000000, 0.0010044700000000, -0.0001432800000000 ] - [ 0.0054548000000000, -0.0045451700000000, 0.0000122400000000 ] - [ -0.0007549900000000, 0.0009511100000000, 0.0000798400000000 ] - [ 0.0000226900000000, 0.0005944400000000, -0.0000959200000000 ] - [ -0.0015325400000000, 0.0046992000000000, -0.0022238100000000 ] - [ -0.0000527700000000, -0.0002038100000000, 0.0003604200000000 ] - [ -0.0005356600000000, -0.0006508600000000, -0.0010849000000000 ] - [ -0.0000533700000000, 0.0005577000000000, 0.0009105300000000 ] - [ 0.0004898600000000, -0.0010373000000000, -0.0009263300000000 ] - [ -0.0056497600000000, -0.0020003800000000, -0.0036159600000000 ] - [ 0.0003471900000000, 0.0009353500000000, -0.0004409300000000 ] - [ -0.0001051700000000, -0.0002890200000000, -0.0004485000000000 ] - [ -0.0003073400000000, -0.0000782000000000, 0.0003703800000000 ] - [ 0.0005483600000000, -0.0003279100000000, -0.0000879100000000 ] - [ -0.0005799100000000, -0.0005215100000000, 0.0001187100000000 ] - [ -0.0010146900000000, 0.0001253000000000, 0.0010128000000000 ] - [ 0.0000165100000000, 0.0007302000000000, 0.0001765500000000 ] - [ -0.0000549100000000, -0.0001017100000000, 0.0010530200000000 ] - [ -0.0002057800000000, -0.0006305000000000, -0.0004364000000000 ] - [ 0.0009496700000000, -0.0017421100000000, 0.0055331900000000 ] - [ 0.0002162800000000, -0.0006975000000000, -0.0004912300000000 ] - [ -0.0004479600000000, -0.0001202700000000, 0.0002164400000000 ] - [ 0.0001395100000000, 0.0000054300000000, -0.0006859300000000 ]- atom: 27 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010989300000000, -0.0004415700000000, -0.0002664400000000 ] - [ -0.0027029500000000, 0.0013641700000000, 0.0001408000000000 ] - [ -0.0013180800000000, -0.0002677000000000, -0.0004608800000000 ] - [ 0.0016725700000000, 0.0000091300000000, 0.0000423500000000 ] - [ 0.0017233300000000, -0.0054493200000000, -0.0080033000000000 ] - [ -0.0031661600000000, -0.0020686900000000, -0.0021262800000000 ] - [ -0.0010957000000000, -0.0072056800000000, 0.0120749000000000 ] - [ -0.0037463800000000, 0.0118722400000000, -0.0091493300000000 ] - [ -0.0075081300000000, -0.0128151600000000, 0.0089441200000000 ] - [ 0.0039383000000000, -0.0020959200000000, -0.0021766000000000 ] - [ -0.0082998100000000, 0.0021312300000000, 0.0025722200000000 ] - [ 0.0003413000000000, 0.0011845300000000, -0.0022283800000000 ] - [ -0.0058008800000000, -0.0015190700000000, 0.0000527000000000 ] - [ -0.0004763400000000, 0.0008327700000000, 0.0036292800000000 ] - [ -0.0009594600000000, -0.0021182500000000, -0.0009035900000000 ] - [ 0.0007216300000000, 0.0020417700000000, 0.0047069700000000 ] - [ 0.1384881800000000, 0.0319785100000000, 0.0238037300000000 ] - [ 0.0057156900000000, 0.0019179700000000, -0.0001980500000000 ] - [ 0.0041296000000000, 0.0019456800000000, -0.0012013300000000 ] - [ -0.0024707200000000, -0.0005621000000000, 0.0022727700000000 ] - [ -0.0043727400000000, 0.0004713800000000, -0.0002679800000000 ] - [ 0.0621434200000000, 0.0320197600000000, 0.0313036800000000 ] - [ -0.0179125500000000, 0.0086802600000000, -0.0058337100000000 ] - [ -0.0039223400000000, -0.0015742300000000, -0.0020887100000000 ] - [ -0.0015572300000000, 0.0004594900000000, -0.0023770100000000 ] - [ 0.0011238600000000, 0.0008064900000000, 0.0006833500000000 ] - [ -0.2786214700000000, -0.1159794300000000, -0.1174361100000000 ] - [ 0.0038169900000000, -0.0008982700000000, 0.0009475200000000 ] - [ 0.0001129700000000, -0.0019011100000000, -0.0027474500000000 ] - [ 0.0007191700000000, 0.0000414400000000, 0.0002055200000000 ] - [ 0.0023375500000000, -0.0014986300000000, -0.0006291000000000 ] - [ -0.0026566200000000, -0.0016193400000000, 0.0016656200000000 ] - [ 0.0008417000000000, 0.0008385400000000, 0.0003432200000000 ] - [ 0.0003971700000000, 0.0012517000000000, -0.0015009600000000 ] - [ 0.0016650900000000, -0.0006941900000000, -0.0014780900000000 ] - [ -0.0016138200000000, 0.0031870300000000, -0.0007445400000000 ] - [ 0.0003298100000000, 0.0003446900000000, 0.0007362900000000 ] - [ 0.0313596200000000, 0.0143685100000000, -0.0155615400000000 ] - [ 0.0014800600000000, -0.0039135100000000, 0.0033260100000000 ] - [ -0.0021331900000000, 0.0003841600000000, -0.0006882300000000 ] - [ 0.0024920800000000, 0.0015803700000000, 0.0031897900000000 ] - [ 0.0013257400000000, -0.0006887100000000, -0.0016747800000000 ] - [ 0.0022333300000000, 0.0014036300000000, 0.0010902700000000 ] - [ -0.0020736000000000, 0.0006500100000000, 0.0009870600000000 ] - [ -0.0003912800000000, -0.0014724400000000, -0.0000005900000000 ] - [ 0.0027459000000000, 0.0010858100000000, -0.0001385600000000 ] - [ 0.0257330700000000, -0.0086726400000000, 0.0259687000000000 ] - [ 0.0032460200000000, -0.0012782900000000, -0.0000527800000000 ] - [ 0.0010987000000000, -0.0016280100000000, 0.0000210000000000 ] - [ -0.0004756900000000, -0.0010324600000000, -0.0002873700000000 ] - [ -0.0006550600000000, 0.0002787900000000, 0.0019618400000000 ] - [ -0.0018729000000000, -0.0020292700000000, -0.0014484800000000 ] - [ -0.0102588700000000, -0.0036583000000000, -0.0037457300000000 ] - [ 0.0033357200000000, -0.0022145800000000, -0.0007525700000000 ] - [ 0.0004892900000000, -0.0016822000000000, -0.0023918400000000 ] - [ -0.0002011800000000, 0.0009496800000000, 0.0003959100000000 ] - [ 0.0022503000000000, -0.0004747400000000, -0.0003305000000000 ] - [ 0.0035339600000000, 0.0000537500000000, -0.0009696400000000 ] - [ -0.0001681300000000, 0.0009573700000000, 0.0009973100000000 ] - [ -0.0022805500000000, 0.0006591800000000, 0.0005312000000000 ] - [ 0.0008723300000000, 0.0007382100000000, 0.0008473500000000 ] - [ 0.0007783800000000, 0.0013135400000000, -0.0013257100000000 ] - [ 0.0020492300000000, -0.0017865000000000, 0.0012680600000000 ] - [ 0.0025845000000000, 0.0023270600000000, 0.0008260500000000 ] - [ -0.0027176800000000, -0.0013613900000000, -0.0013127900000000 ] - [ -0.0002376800000000, 0.0013311200000000, 0.0010025200000000 ] - [ 0.0072162700000000, 0.0184487900000000, 0.0123322900000000 ] - [ 0.0029431300000000, 0.0022215000000000, -0.0002490000000000 ] - [ 0.0048708700000000, 0.0020943500000000, 0.0043964100000000 ] - [ 0.0014727500000000, 0.0025223100000000, -0.0024480600000000 ] - [ 0.0027618700000000, -0.0013723900000000, 0.0010574200000000 ] - [ 0.0256581500000000, 0.0387269800000000, 0.0091216300000000 ] - [ -0.0001788600000000, -0.0002676700000000, -0.0005164200000000 ] - [ -0.0032144400000000, -0.0011595000000000, 0.0006368400000000 ] - [ 0.0007234900000000, -0.0005162400000000, -0.0005745500000000 ] - [ 0.0012721700000000, 0.0008369200000000, -0.0008195100000000 ] - [ -0.0035139000000000, 0.0006312500000000, 0.0003532000000000 ] - [ -0.0033493100000000, 0.0010181600000000, -0.0001103200000000 ] - [ 0.0169882200000000, -0.0023749100000000, 0.0318787600000000 ] - [ -0.0009087100000000, -0.0016678300000000, 0.0009021800000000 ]- atom: 27 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0010981500000000, 0.0000133800000000, 0.0002730800000000 ] - [ 0.0027127900000000, -0.0009457200000000, -0.0001457900000000 ] - [ 0.0013211900000000, -0.0001647300000000, 0.0004651400000000 ] - [ -0.0016773700000000, 0.0004306600000000, -0.0000490100000000 ] - [ -0.0015300200000000, 0.0058742300000000, 0.0069494000000000 ] - [ 0.0033717400000000, 0.0024357300000000, 0.0032897400000000 ] - [ 0.0009037800000000, 0.0069178500000000, -0.0133657800000000 ] - [ 0.0035873800000000, -0.0116405100000000, 0.0080978800000000 ] - [ 0.0073816900000000, 0.0125229200000000, -0.0078423100000000 ] - [ -0.0038858100000000, 0.0018900900000000, 0.0011273900000000 ] - [ 0.0085069300000000, -0.0024937800000000, -0.0014519600000000 ] - [ -0.0005131700000000, -0.0008372700000000, 0.0033942500000000 ] - [ 0.0058121200000000, 0.0018393000000000, -0.0000497600000000 ] - [ 0.0007017400000000, -0.0010317200000000, -0.0035935000000000 ] - [ 0.0012084400000000, 0.0023732600000000, 0.0010489200000000 ] - [ -0.0004584700000000, -0.0018408600000000, -0.0048233200000000 ] - [ -0.1480671800000000, -0.0363786400000000, -0.0269352500000000 ] - [ -0.0057345000000000, -0.0022443000000000, 0.0002226600000000 ] - [ -0.0044154800000000, -0.0018020100000000, 0.0013486200000000 ] - [ 0.0022141000000000, 0.0007807600000000, -0.0023827400000000 ] - [ 0.0043716100000000, -0.0007667300000000, 0.0002862900000000 ] - [ -0.0619329700000000, -0.0307665700000000, -0.0300632200000000 ] - [ 0.0183106900000000, -0.0089780200000000, 0.0057546600000000 ] - [ 0.0036752800000000, 0.0013773400000000, 0.0019863100000000 ] - [ 0.0003136500000000, -0.0004858900000000, 0.0012653700000000 ] - [ -0.0009001700000000, 0.0003524700000000, -0.0008009400000000 ] - [ 0.2893556800000000, 0.1190248400000000, 0.1186361300000000 ] - [ -0.0022703000000000, -0.0009966700000000, -0.0004828600000000 ] - [ -0.0001237600000000, 0.0011419700000000, 0.0032471000000000 ] - [ 0.0005533300000000, -0.0000501100000000, 0.0009668500000000 ] - [ -0.0021097100000000, 0.0003374600000000, 0.0007449500000000 ] - [ 0.0034226400000000, 0.0023236400000000, -0.0021112200000000 ] - [ -0.0010573100000000, 0.0003301500000000, -0.0002309200000000 ] - [ -0.0003975600000000, -0.0020475700000000, 0.0010121400000000 ] - [ -0.0019679500000000, 0.0001695500000000, 0.0002679100000000 ] - [ 0.0031580300000000, -0.0012937000000000, 0.0002799800000000 ] - [ -0.0004599900000000, -0.0005440300000000, -0.0008349800000000 ] - [ -0.0309297000000000, -0.0146836200000000, 0.0148208600000000 ] - [ -0.0014999300000000, 0.0047147800000000, -0.0028605400000000 ] - [ 0.0024396900000000, 0.0001545000000000, -0.0005462200000000 ] - [ -0.0012308500000000, -0.0015824400000000, -0.0020158000000000 ] - [ -0.0011934700000000, 0.0008825100000000, 0.0015768900000000 ] - [ -0.0014923100000000, -0.0007289700000000, -0.0006759500000000 ] - [ 0.0013331100000000, 0.0000431800000000, -0.0005691500000000 ] - [ 0.0019123600000000, -0.0004479500000000, -0.0004777200000000 ] - [ -0.0024342600000000, -0.0016144900000000, 0.0013632000000000 ] - [ -0.0264275700000000, 0.0087196300000000, -0.0264957000000000 ] - [ -0.0034945800000000, 0.0001226900000000, 0.0001684400000000 ] - [ -0.0026472900000000, -0.0002751600000000, -0.0004951600000000 ] - [ 0.0007801700000000, -0.0000928800000000, 0.0001801400000000 ] - [ 0.0019488600000000, -0.0002761200000000, -0.0031823300000000 ] - [ 0.0017666000000000, 0.0022658600000000, 0.0015625500000000 ] - [ 0.0111685100000000, 0.0026117500000000, 0.0029831800000000 ] - [ -0.0046420500000000, 0.0022445000000000, 0.0019580200000000 ] - [ -0.0004873100000000, 0.0024626900000000, 0.0019239000000000 ] - [ 0.0004237900000000, 0.0002076300000000, -0.0002883200000000 ] - [ -0.0019305900000000, 0.0009852800000000, 0.0015389900000000 ] - [ -0.0019866600000000, 0.0018511100000000, 0.0014529500000000 ] - [ -0.0011188100000000, -0.0009797100000000, -0.0022150800000000 ] - [ 0.0006903100000000, 0.0012026700000000, -0.0000669300000000 ] - [ -0.0008670000000000, 0.0000074400000000, -0.0003452000000000 ] - [ -0.0006565400000000, -0.0015362100000000, 0.0014542800000000 ] - [ -0.0028038100000000, 0.0024765500000000, -0.0017042800000000 ] - [ -0.0033415400000000, -0.0030291600000000, -0.0012520500000000 ] - [ 0.0024089700000000, 0.0018859300000000, 0.0025318000000000 ] - [ 0.0003930000000000, -0.0011926900000000, -0.0009534700000000 ] - [ -0.0073758600000000, -0.0181489100000000, -0.0130716500000000 ] - [ -0.0045023100000000, -0.0003186900000000, -0.0002221500000000 ] - [ -0.0047769200000000, -0.0022833000000000, -0.0045208800000000 ] - [ -0.0016109900000000, -0.0023504600000000, 0.0023679500000000 ] - [ -0.0020217300000000, 0.0006870300000000, -0.0006335500000000 ] - [ -0.0262052800000000, -0.0389666800000000, -0.0085853000000000 ] - [ -0.0010912100000000, 0.0002675200000000, 0.0016810500000000 ] - [ 0.0029920500000000, 0.0023245300000000, -0.0007560600000000 ] - [ -0.0007172100000000, -0.0002373800000000, 0.0010718400000000 ] - [ -0.0015766700000000, -0.0003255400000000, -0.0004071400000000 ] - [ 0.0019843900000000, -0.0025494600000000, 0.0001136300000000 ] - [ 0.0031323000000000, -0.0021813900000000, 0.0000005200000000 ] - [ -0.0175164400000000, 0.0019140300000000, -0.0304633500000000 ] - [ 0.0009218900000000, 0.0009426000000000, -0.0014474300000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004352500000000, -0.0007855800000000, -0.0003751100000000 ] - [ -0.0009558200000000, 0.0013389400000000, 0.0001793900000000 ] - [ -0.0005790700000000, 0.0000987200000000, -0.0003484300000000 ] - [ 0.0009151100000000, -0.0022165900000000, 0.0009247800000000 ] - [ -0.0008057800000000, -0.0080347800000000, -0.0115340700000000 ] - [ -0.0012044600000000, 0.0002235900000000, -0.0007872900000000 ] - [ -0.0022522900000000, -0.0020173300000000, 0.0065677500000000 ] - [ -0.0004567600000000, 0.0030098700000000, -0.0024797500000000 ] - [ -0.0061061200000000, -0.0102613600000000, 0.0078639700000000 ] - [ 0.0084271800000000, -0.0099710700000000, -0.0063203200000000 ] - [ 0.0009819100000000, 0.0018962100000000, 0.0010692100000000 ] - [ 0.0004004000000000, -0.0004133300000000, -0.0007793500000000 ] - [ -0.0021911200000000, -0.0020034500000000, 0.0004715900000000 ] - [ 0.0006222900000000, -0.0029360900000000, 0.0051678100000000 ] - [ -0.0006417100000000, -0.0026335600000000, -0.0030607500000000 ] - [ 0.0007263500000000, 0.0038677800000000, 0.0015188500000000 ] - [ 0.0237220500000000, 0.0433194400000000, 0.0070592000000000 ] - [ 0.0033844300000000, 0.0025087100000000, -0.0021180600000000 ] - [ 0.0013047700000000, 0.0041815200000000, -0.0019313200000000 ] - [ -0.0012258700000000, -0.0018054600000000, 0.0012370100000000 ] - [ -0.0014955200000000, -0.0005274500000000, -0.0002860300000000 ] - [ 0.0414605500000000, 0.1106463700000000, 0.0822263300000000 ] - [ -0.0047153400000000, 0.0034374900000000, -0.0011695000000000 ] - [ -0.0024811200000000, -0.0014805400000000, -0.0019161000000000 ] - [ -0.0023018800000000, 0.0019299900000000, -0.0042403000000000 ] - [ 0.0021960300000000, -0.0000668200000000, 0.0010770300000000 ] - [ -0.1181650600000000, -0.1886010500000000, -0.1441030800000000 ] - [ 0.0013911000000000, -0.0009992100000000, 0.0004405700000000 ] - [ 0.0002198600000000, -0.0024360500000000, -0.0021436000000000 ] - [ 0.0005666800000000, 0.0003375700000000, 0.0003450600000000 ] - [ -0.0028446300000000, -0.0005425700000000, 0.0002477900000000 ] - [ -0.0019924400000000, -0.0020491200000000, 0.0021120200000000 ] - [ 0.0002484400000000, 0.0007457400000000, 0.0001928800000000 ] - [ 0.0002026800000000, 0.0008782600000000, -0.0005404200000000 ] - [ 0.0002727300000000, 0.0002414400000000, -0.0012217300000000 ] - [ -0.0004828900000000, 0.0028406700000000, -0.0006933100000000 ] - [ -0.0000290300000000, 0.0007248700000000, 0.0008600700000000 ] - [ 0.0156886100000000, -0.0024507400000000, -0.0076241400000000 ] - [ 0.0003637200000000, -0.0012337700000000, 0.0010194700000000 ] - [ 0.0000413700000000, -0.0009623300000000, 0.0003448400000000 ] - [ 0.0020135200000000, 0.0013736900000000, 0.0024998300000000 ] - [ 0.0003094300000000, -0.0015540400000000, 0.0001716900000000 ] - [ 0.0010886400000000, 0.0008776800000000, 0.0006172600000000 ] - [ -0.0014339000000000, 0.0004291200000000, 0.0009542500000000 ] - [ 0.0004105700000000, -0.0009004600000000, -0.0000029200000000 ] - [ 0.0015250300000000, 0.0008472000000000, 0.0000619900000000 ] - [ 0.0004694200000000, -0.0113142200000000, 0.0002957400000000 ] - [ 0.0020895900000000, -0.0009443800000000, -0.0002450500000000 ] - [ -0.0001618700000000, -0.0013430300000000, -0.0000907700000000 ] - [ -0.0022278900000000, -0.0014536800000000, -0.0001087100000000 ] - [ 0.0000704000000000, -0.0005116400000000, 0.0006829400000000 ] - [ -0.0012020200000000, -0.0022727700000000, -0.0008582500000000 ] - [ -0.0080846800000000, 0.0219608000000000, 0.0292083200000000 ] - [ 0.0008415500000000, -0.0015437900000000, -0.0006049300000000 ] - [ -0.0000225000000000, 0.0005591800000000, -0.0015223600000000 ] - [ 0.0003582300000000, 0.0005479000000000, 0.0003163100000000 ] - [ 0.0009059700000000, 0.0003768800000000, 0.0003626000000000 ] - [ 0.0021858700000000, 0.0003596900000000, -0.0004575900000000 ] - [ 0.0003785100000000, 0.0015899800000000, 0.0025235700000000 ] - [ -0.0003653600000000, 0.0025306700000000, 0.0006050700000000 ] - [ 0.0004345400000000, 0.0005345000000000, 0.0009456400000000 ] - [ 0.0014844400000000, 0.0035177300000000, -0.0027850700000000 ] - [ 0.0003092700000000, 0.0000054300000000, 0.0002217300000000 ] - [ 0.0010325300000000, 0.0012787100000000, 0.0001392000000000 ] - [ -0.0017975200000000, -0.0012494100000000, 0.0001603600000000 ] - [ -0.0010805800000000, 0.0030175800000000, 0.0027667600000000 ] - [ 0.0249946800000000, 0.0309961700000000, 0.0248740200000000 ] - [ 0.0001812800000000, 0.0009366400000000, -0.0002898800000000 ] - [ 0.0009813000000000, -0.0001375000000000, 0.0007188200000000 ] - [ 0.0010434800000000, 0.0023938400000000, -0.0019616800000000 ] - [ 0.0008186400000000, 0.0000979600000000, 0.0000981400000000 ] - [ 0.0229766900000000, 0.0207281200000000, 0.0083074100000000 ] - [ -0.0006292600000000, -0.0006523500000000, 0.0004641000000000 ] - [ -0.0012360400000000, 0.0000496500000000, -0.0000407900000000 ] - [ 0.0002908000000000, 0.0004974600000000, 0.0004229400000000 ] - [ 0.0004219100000000, 0.0008075600000000, -0.0003935700000000 ] - [ -0.0033261400000000, 0.0010569100000000, 0.0005782800000000 ] - [ 0.0000157700000000, -0.0001220300000000, -0.0009385900000000 ] - [ 0.0019157300000000, -0.0084639200000000, 0.0026584600000000 ] - [ -0.0006246600000000, -0.0027067300000000, 0.0023917700000000 ]- atom: 27 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004292800000000, 0.0003530700000000, 0.0003749400000000 ] - [ 0.0009425000000000, -0.0008968400000000, -0.0001761500000000 ] - [ 0.0005719500000000, -0.0005363100000000, 0.0003476200000000 ] - [ -0.0009092600000000, 0.0026500100000000, -0.0009254900000000 ] - [ 0.0010249700000000, 0.0083633500000000, 0.0103868800000000 ] - [ 0.0013840100000000, 0.0001420900000000, 0.0019258000000000 ] - [ 0.0020561500000000, 0.0016198300000000, -0.0076415100000000 ] - [ 0.0002280300000000, -0.0025628000000000, 0.0012828400000000 ] - [ 0.0058718000000000, 0.0098415400000000, -0.0066606900000000 ] - [ -0.0081634900000000, 0.0095569600000000, 0.0051352500000000 ] - [ -0.0008080000000000, -0.0022539500000000, 0.0000691100000000 ] - [ -0.0005930900000000, 0.0007479600000000, 0.0019223100000000 ] - [ 0.0021487100000000, 0.0022958900000000, -0.0004724700000000 ] - [ -0.0003445500000000, 0.0027419700000000, -0.0050434000000000 ] - [ 0.0009121500000000, 0.0028314300000000, 0.0031624300000000 ] - [ -0.0004440200000000, -0.0036210900000000, -0.0016004000000000 ] - [ -0.0249992500000000, -0.0435033400000000, -0.0073925400000000 ] - [ -0.0033554400000000, -0.0028349200000000, 0.0021198400000000 ] - [ -0.0015426300000000, -0.0039384500000000, 0.0020143300000000 ] - [ 0.0009313300000000, 0.0020134200000000, -0.0013236400000000 ] - [ 0.0014561200000000, 0.0002295200000000, 0.0002891700000000 ] - [ -0.0388367000000000, -0.1073995900000000, -0.0774374100000000 ] - [ 0.0050363700000000, -0.0036890100000000, 0.0010620400000000 ] - [ 0.0021827900000000, 0.0012617700000000, 0.0017979100000000 ] - [ 0.0010078700000000, -0.0019195700000000, 0.0030360400000000 ] - [ -0.0019722700000000, 0.0012387700000000, -0.0011900600000000 ] - [ 0.1167437000000000, 0.1849402700000000, 0.1380974800000000 ] - [ 0.0001804500000000, -0.0009078200000000, 0.0000325300000000 ] - [ -0.0002306800000000, 0.0016440300000000, 0.0026072900000000 ] - [ 0.0007138700000000, -0.0003457000000000, 0.0008331500000000 ] - [ 0.0030996300000000, -0.0006077300000000, -0.0001386700000000 ] - [ 0.0027278300000000, 0.0027425100000000, -0.0025327700000000 ] - [ -0.0004759100000000, 0.0004164700000000, -0.0000786500000000 ] - [ -0.0002036000000000, -0.0016485600000000, 0.0000416200000000 ] - [ -0.0005668500000000, -0.0007602100000000, 0.0000088500000000 ] - [ 0.0020309200000000, -0.0009323600000000, 0.0002195400000000 ] - [ -0.0000973400000000, -0.0009196100000000, -0.0009488700000000 ] - [ -0.0143434800000000, 0.0026024900000000, 0.0063912400000000 ] - [ -0.0003725400000000, 0.0020206300000000, -0.0005342800000000 ] - [ 0.0002467300000000, 0.0014842800000000, -0.0015607400000000 ] - [ -0.0007278000000000, -0.0013551200000000, -0.0012973900000000 ] - [ -0.0001820700000000, 0.0017397900000000, -0.0002723200000000 ] - [ -0.0003258300000000, -0.0001863000000000, -0.0001887500000000 ] - [ 0.0006753600000000, 0.0002708600000000, -0.0005258600000000 ] - [ 0.0011138400000000, -0.0010149300000000, -0.0004680000000000 ] - [ -0.0011961400000000, -0.0013544500000000, 0.0011455200000000 ] - [ -0.0004090400000000, 0.0110801400000000, -0.0000264600000000 ] - [ -0.0023310400000000, -0.0002041900000000, 0.0003517700000000 ] - [ -0.0013754800000000, -0.0005685200000000, -0.0003780800000000 ] - [ 0.0024723100000000, 0.0003025200000000, -0.0000018300000000 ] - [ 0.0012009900000000, 0.0005083000000000, -0.0018490900000000 ] - [ 0.0010657700000000, 0.0024630300000000, 0.0009586700000000 ] - [ 0.0085977500000000, -0.0223008700000000, -0.0290135400000000 ] - [ -0.0021241900000000, 0.0015534600000000, 0.0017997900000000 ] - [ 0.0000231800000000, 0.0001892300000000, 0.0010038300000000 ] - [ -0.0001136100000000, 0.0006012900000000, -0.0002048800000000 ] - [ -0.0005758200000000, 0.0001257500000000, 0.0008325200000000 ] - [ -0.0006094200000000, 0.0015347300000000, 0.0009208200000000 ] - [ -0.0016646700000000, -0.0015980200000000, -0.0037168900000000 ] - [ -0.0011861900000000, -0.0006259700000000, -0.0001331300000000 ] - [ -0.0004238600000000, 0.0002335300000000, -0.0004418800000000 ] - [ -0.0013585800000000, -0.0037217900000000, 0.0028845000000000 ] - [ -0.0010328800000000, 0.0006554400000000, -0.0006330400000000 ] - [ -0.0017584000000000, -0.0019486300000000, -0.0005551000000000 ] - [ 0.0014726700000000, 0.0017569800000000, 0.0010430500000000 ] - [ 0.0012056800000000, -0.0028126500000000, -0.0026626800000000 ] - [ -0.0253682700000000, -0.0307185800000000, -0.0257239900000000 ] - [ -0.0017038400000000, 0.0009778900000000, -0.0001798700000000 ] - [ -0.0008753200000000, -0.0000658900000000, -0.0008325700000000 ] - [ -0.0011651800000000, -0.0021882000000000, 0.0018555500000000 ] - [ -0.0000617700000000, -0.0007875600000000, 0.0003301300000000 ] - [ -0.0231490600000000, -0.0209980100000000, -0.0077273600000000 ] - [ -0.0006498600000000, 0.0006392000000000, 0.0007150400000000 ] - [ 0.0009674700000000, 0.0010874200000000, -0.0000689500000000 ] - [ -0.0002781600000000, -0.0012583000000000, 0.0000667800000000 ] - [ -0.0007184200000000, -0.0002935500000000, -0.0008185500000000 ] - [ 0.0017909100000000, -0.0029699300000000, -0.0001100800000000 ] - [ -0.0003015800000000, -0.0010109200000000, 0.0008316500000000 ] - [ -0.0023488600000000, 0.0078938600000000, -0.0015503500000000 ] - [ 0.0006199100000000, 0.0019085400000000, -0.0028594400000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005916700000000, -0.0003077900000000, -0.0008249300000000 ] - [ -0.0004955300000000, 0.0003461300000000, 0.0007963400000000 ] - [ -0.0007448800000000, -0.0003288100000000, -0.0008469000000000 ] - [ 0.0005445600000000, -0.0002958800000000, 0.0010811500000000 ] - [ -0.0004935800000000, -0.0063880200000000, -0.0088792500000000 ] - [ -0.0018341900000000, -0.0020181400000000, -0.0032001100000000 ] - [ 0.0007069300000000, 0.0007763100000000, -0.0002426500000000 ] - [ -0.0043839600000000, 0.0104910700000000, -0.0090018300000000 ] - [ -0.0021542200000000, -0.0038224000000000, 0.0052376100000000 ] - [ 0.0074359100000000, -0.0082249100000000, -0.0051710700000000 ] - [ -0.0000416700000000, 0.0006421700000000, 0.0039721300000000 ] - [ 0.0000961000000000, 0.0009509600000000, -0.0027811500000000 ] - [ -0.0011205600000000, 0.0000274600000000, 0.0013945800000000 ] - [ 0.0006077300000000, 0.0006551000000000, 0.0058926900000000 ] - [ -0.0003205100000000, -0.0008496400000000, -0.0036749000000000 ] - [ 0.0035883100000000, 0.0022649000000000, -0.0005932600000000 ] - [ 0.0151518200000000, 0.0066654800000000, 0.0407635400000000 ] - [ 0.0028993300000000, 0.0004198300000000, -0.0049186900000000 ] - [ 0.0020190700000000, 0.0023121200000000, -0.0056292700000000 ] - [ -0.0011968800000000, -0.0004595800000000, 0.0002497200000000 ] - [ -0.0026504000000000, 0.0006878000000000, -0.0015175500000000 ] - [ 0.0448321400000000, 0.0870309400000000, 0.1338377600000000 ] - [ -0.0199019000000000, 0.0099082400000000, -0.0026554900000000 ] - [ -0.0012646600000000, -0.0009432700000000, -0.0002014300000000 ] - [ -0.0023106200000000, 0.0011644600000000, -0.0046317500000000 ] - [ 0.0013345200000000, 0.0006299300000000, 0.0007604500000000 ] - [ -0.1194621900000000, -0.1442859400000000, -0.2255182200000000 ] - [ 0.0031857800000000, -0.0010270300000000, 0.0010690300000000 ] - [ -0.0007101200000000, -0.0017813000000000, -0.0010341000000000 ] - [ 0.0008189500000000, -0.0001167900000000, 0.0011220000000000 ] - [ -0.0009894200000000, -0.0006475500000000, -0.0005148600000000 ] - [ -0.0015594500000000, -0.0009263300000000, 0.0022267800000000 ] - [ 0.0003403100000000, 0.0006783100000000, 0.0004546600000000 ] - [ 0.0000479400000000, -0.0004028000000000, 0.0006451200000000 ] - [ 0.0007142100000000, -0.0008665300000000, -0.0019381800000000 ] - [ -0.0001700300000000, 0.0017192200000000, -0.0008423200000000 ] - [ 0.0000925200000000, 0.0000616900000000, 0.0002352400000000 ] - [ -0.0076662900000000, -0.0028613000000000, -0.0086144200000000 ] - [ 0.0017582700000000, -0.0036849700000000, 0.0028890300000000 ] - [ 0.0000832100000000, -0.0006983100000000, 0.0013202400000000 ] - [ 0.0011190400000000, 0.0004238100000000, 0.0007907100000000 ] - [ -0.0010936100000000, 0.0000856100000000, -0.0003916000000000 ] - [ 0.0015782500000000, 0.0010706700000000, 0.0011527200000000 ] - [ -0.0019588100000000, 0.0013057300000000, 0.0019396600000000 ] - [ 0.0003128400000000, -0.0011571400000000, 0.0001803500000000 ] - [ 0.0009287700000000, 0.0002959500000000, 0.0000570900000000 ] - [ 0.0332213600000000, -0.0100924700000000, 0.0189991500000000 ] - [ 0.0009634300000000, -0.0007692900000000, -0.0002420100000000 ] - [ 0.0001086700000000, -0.0011620000000000, 0.0002720700000000 ] - [ -0.0019515500000000, -0.0011857400000000, -0.0002324900000000 ] - [ -0.0008803300000000, 0.0004883200000000, 0.0036218200000000 ] - [ -0.0006431700000000, -0.0002579900000000, 0.0015487500000000 ] - [ -0.0072882100000000, 0.0286087700000000, 0.0161953400000000 ] - [ 0.0031986300000000, -0.0019782000000000, -0.0027173200000000 ] - [ 0.0002698600000000, -0.0018198500000000, -0.0030546200000000 ] - [ -0.0000381300000000, 0.0008623500000000, 0.0005905200000000 ] - [ 0.0011110800000000, 0.0000115900000000, 0.0005378600000000 ] - [ 0.0012948400000000, 0.0006613500000000, 0.0003113100000000 ] - [ 0.0003291200000000, 0.0010102200000000, 0.0024420600000000 ] - [ -0.0004063500000000, 0.0023150500000000, 0.0006115900000000 ] - [ 0.0002609500000000, 0.0007957100000000, 0.0003280100000000 ] - [ 0.0009914500000000, 0.0018948400000000, -0.0021583400000000 ] - [ 0.0015530700000000, -0.0016411400000000, 0.0013556100000000 ] - [ -0.0001366000000000, -0.0003140200000000, -0.0006011400000000 ] - [ -0.0020952500000000, -0.0001940100000000, 0.0021301600000000 ] - [ -0.0009415800000000, 0.0022994000000000, 0.0025437900000000 ] - [ 0.0159099700000000, 0.0252812400000000, 0.0092001900000000 ] - [ 0.0002055200000000, 0.0012599300000000, -0.0007659500000000 ] - [ 0.0057452400000000, 0.0022493600000000, 0.0047711100000000 ] - [ 0.0004723600000000, 0.0009941100000000, -0.0008915900000000 ] - [ 0.0007139700000000, -0.0003683200000000, -0.0001029400000000 ] - [ 0.0055937600000000, 0.0091407500000000, -0.0052190000000000 ] - [ -0.0013753000000000, -0.0006648900000000, 0.0019433700000000 ] - [ -0.0017640200000000, -0.0009008300000000, 0.0008198200000000 ] - [ 0.0002873000000000, -0.0001372800000000, 0.0001054900000000 ] - [ 0.0000483800000000, 0.0000427800000000, 0.0002528800000000 ] - [ -0.0025395100000000, 0.0004147000000000, 0.0005336600000000 ] - [ -0.0011997600000000, -0.0006038600000000, -0.0002356800000000 ] - [ 0.0313433500000000, -0.0023795100000000, 0.0298746600000000 ] - [ -0.0006272400000000, -0.0023805000000000, 0.0027872600000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005853500000000, -0.0001274200000000, 0.0008213300000000 ] - [ 0.0004779300000000, 0.0000983000000000, -0.0007938300000000 ] - [ 0.0007364200000000, -0.0001019700000000, 0.0008441300000000 ] - [ -0.0005337500000000, 0.0007193700000000, -0.0010760500000000 ] - [ 0.0006961600000000, 0.0066925900000000, 0.0076907800000000 ] - [ 0.0019996300000000, 0.0023490200000000, 0.0043168500000000 ] - [ -0.0009150900000000, -0.0011931000000000, -0.0007612900000000 ] - [ 0.0041691100000000, -0.0101131300000000, 0.0078440400000000 ] - [ 0.0019444600000000, 0.0034443100000000, -0.0040704500000000 ] - [ -0.0071836800000000, 0.0078279500000000, 0.0039932700000000 ] - [ 0.0002071900000000, -0.0009767900000000, -0.0028145500000000 ] - [ -0.0002839300000000, -0.0005927800000000, 0.0039011800000000 ] - [ 0.0010685100000000, 0.0002534900000000, -0.0013962500000000 ] - [ -0.0003463800000000, -0.0008667700000000, -0.0057590400000000 ] - [ 0.0005743800000000, 0.0010338600000000, 0.0037736500000000 ] - [ -0.0033184100000000, -0.0020374300000000, 0.0004912200000000 ] - [ -0.0158201800000000, -0.0071663000000000, -0.0407124800000000 ] - [ -0.0028526800000000, -0.0007150800000000, 0.0049133100000000 ] - [ -0.0022436300000000, -0.0020742800000000, 0.0057323300000000 ] - [ 0.0009152300000000, 0.0006665100000000, -0.0003497000000000 ] - [ 0.0026122200000000, -0.0009874600000000, 0.0015203700000000 ] - [ -0.0414683600000000, -0.0812912200000000, -0.1294454100000000 ] - [ 0.0199740100000000, -0.0100244600000000, 0.0025224600000000 ] - [ 0.0009780300000000, 0.0007260300000000, 0.0000980000000000 ] - [ 0.0010214100000000, -0.0011501400000000, 0.0034317600000000 ] - [ -0.0011209600000000, 0.0005490700000000, -0.0008745100000000 ] - [ 0.1165576400000000, 0.1379186400000000, 0.2191076500000000 ] - [ -0.0016413400000000, -0.0008898100000000, -0.0005996500000000 ] - [ 0.0007037600000000, 0.0009993100000000, 0.0015090500000000 ] - [ 0.0004610900000000, 0.0001045500000000, 0.0000636700000000 ] - [ 0.0012013900000000, -0.0005160400000000, 0.0006308000000000 ] - [ 0.0022814700000000, 0.0016079400000000, -0.0026378900000000 ] - [ -0.0005353400000000, 0.0004991400000000, -0.0003320900000000 ] - [ -0.0000442800000000, -0.0003569200000000, -0.0011539900000000 ] - [ -0.0010062800000000, 0.0003509200000000, 0.0007210500000000 ] - [ 0.0016967000000000, 0.0002011800000000, 0.0003687000000000 ] - [ -0.0002161100000000, -0.0002655500000000, -0.0003326600000000 ] - [ 0.0091754100000000, 0.0029642800000000, 0.0072697900000000 ] - [ -0.0017476200000000, 0.0044199700000000, -0.0023788400000000 ] - [ 0.0002002000000000, 0.0012191100000000, -0.0025384400000000 ] - [ 0.0001626500000000, -0.0004114000000000, 0.0003976100000000 ] - [ 0.0012235200000000, 0.0001050200000000, 0.0002942400000000 ] - [ -0.0008136900000000, -0.0003766500000000, -0.0007247800000000 ] - [ 0.0011939200000000, -0.0006055300000000, -0.0015057400000000 ] - [ 0.0011883600000000, -0.0007735700000000, -0.0006509300000000 ] - [ -0.0005904300000000, -0.0008013000000000, 0.0011515400000000 ] - [ -0.0337256800000000, 0.0100084100000000, -0.0189945700000000 ] - [ -0.0011754200000000, -0.0003987000000000, 0.0003598700000000 ] - [ -0.0016288300000000, -0.0007566700000000, -0.0007392200000000 ] - [ 0.0021667900000000, 0.0000178000000000, 0.0001132000000000 ] - [ 0.0021554800000000, -0.0005002700000000, -0.0048035100000000 ] - [ 0.0004945000000000, 0.0004336500000000, -0.0014693300000000 ] - [ 0.0078266300000000, -0.0287440400000000, -0.0163976900000000 ] - [ -0.0044319300000000, 0.0019700400000000, 0.0038721200000000 ] - [ -0.0002684900000000, 0.0025864700000000, 0.0025547300000000 ] - [ 0.0002582800000000, 0.0003031000000000, -0.0004696600000000 ] - [ -0.0007778900000000, 0.0004962900000000, 0.0006671900000000 ] - [ 0.0002718000000000, 0.0012459900000000, 0.0001446800000000 ] - [ -0.0016116900000000, -0.0010144800000000, -0.0036274200000000 ] - [ -0.0011373700000000, -0.0003988800000000, -0.0001377400000000 ] - [ -0.0002492900000000, -0.0000256400000000, 0.0001694100000000 ] - [ -0.0008583800000000, -0.0020879400000000, 0.0022507200000000 ] - [ -0.0022825000000000, 0.0023185100000000, -0.0017742900000000 ] - [ -0.0005764400000000, -0.0003423800000000, 0.0001913200000000 ] - [ 0.0017697400000000, 0.0007033500000000, -0.0009325300000000 ] - [ 0.0010679600000000, -0.0020883600000000, -0.0024384800000000 ] - [ -0.0159874300000000, -0.0246628500000000, -0.0095800600000000 ] - [ -0.0017058600000000, 0.0006667400000000, 0.0002947300000000 ] - [ -0.0055499800000000, -0.0024074200000000, -0.0048054800000000 ] - [ -0.0005982800000000, -0.0007951800000000, 0.0007930400000000 ] - [ 0.0000505600000000, -0.0003237000000000, 0.0005319500000000 ] - [ -0.0062499200000000, -0.0096386200000000, 0.0055482800000000 ] - [ 0.0000989900000000, 0.0006553400000000, -0.0007635100000000 ] - [ 0.0015282800000000, 0.0020608800000000, -0.0009391100000000 ] - [ -0.0002745700000000, -0.0006251600000000, 0.0003855200000000 ] - [ -0.0003389100000000, 0.0004786300000000, -0.0014720500000000 ] - [ 0.0010045800000000, -0.0023301700000000, -0.0000618900000000 ] - [ 0.0009464500000000, -0.0005443200000000, 0.0001139700000000 ] - [ -0.0309855900000000, 0.0018201200000000, -0.0278204700000000 ] - [ 0.0006210900000000, 0.0015839500000000, -0.0032639400000000 ]- atom: 28 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0019143600000000, -0.0011140700000000, 0.0009761000000000 ] - [ 0.0011314600000000, 0.0005591300000000, 0.0021178200000000 ] - [ 0.0008415500000000, -0.0033208700000000, -0.0027547300000000 ] - [ -0.0007908600000000, 0.0001288400000000, 0.0000910600000000 ] - [ 0.0019997200000000, -0.0016854000000000, 0.0013910300000000 ] - [ -0.0042697600000000, 0.0037892300000000, -0.0041170700000000 ] - [ 0.0024994600000000, 0.0011025100000000, -0.0007076700000000 ] - [ 0.3790191400000000, 0.1803567600000000, -0.0217357600000000 ] - [ -0.0062418700000000, 0.0022762300000000, 0.0019107200000000 ] - [ -0.0001394100000000, -0.0006363500000000, -0.0005880800000000 ] - [ -0.0045861100000000, -0.0052325700000000, 0.0036200100000000 ] - [ -0.0026884000000000, -0.0005840100000000, 0.0004121000000000 ] - [ 0.0033984100000000, -0.0012720600000000, -0.0008950300000000 ] - [ 0.0004099400000000, -0.0092018100000000, -0.0035632000000000 ] - [ 0.0012257600000000, -0.0008738800000000, 0.0003702800000000 ] - [ -0.0091138400000000, 0.0004138400000000, 0.0007672400000000 ] - [ -0.0038855600000000, 0.0067280900000000, -0.0084322000000000 ] - [ -0.0043545800000000, 0.0007915500000000, -0.0014127900000000 ] - [ -0.0063393800000000, 0.0011140000000000, 0.0081213700000000 ] - [ 0.0005763800000000, -0.0012536400000000, -0.0017089700000000 ] - [ 0.0086027400000000, 0.0003946000000000, 0.0007516900000000 ] - [ -0.0039393600000000, -0.0007473900000000, -0.0015271200000000 ] - [ -0.0025201100000000, -0.0004022800000000, -0.0000295100000000 ] - [ 0.0007069100000000, 0.0010660900000000, -0.0002127600000000 ] - [ 0.0002618500000000, 0.0010078700000000, 0.0012908200000000 ] - [ -0.0028905500000000, 0.0022962700000000, -0.0006202300000000 ] - [ 0.0031875300000000, 0.0003281900000000, 0.0017741800000000 ] - [ -0.3565393400000000, -0.1724384100000000, 0.0178512300000000 ] - [ 0.0019995500000000, -0.0013709500000000, -0.0004175700000000 ] - [ 0.0008918100000000, 0.0001814700000000, 0.0011357200000000 ] - [ 0.0018860200000000, 0.0003107700000000, -0.0003044000000000 ] - [ 0.0015158600000000, 0.0001496700000000, -0.0003613800000000 ] - [ 0.0013256700000000, 0.0016115300000000, 0.0007183600000000 ] - [ -0.0005439900000000, -0.0000313100000000, 0.0000189400000000 ] - [ -0.0028967000000000, 0.0022777000000000, 0.0011285200000000 ] - [ 0.0030365100000000, 0.0001883800000000, -0.0000598400000000 ] - [ -0.0001436400000000, -0.0002872800000000, -0.0000200600000000 ] - [ -0.0003527400000000, -0.0012534800000000, 0.0024882900000000 ] - [ 0.0004972000000000, 0.0006363900000000, 0.0001355100000000 ] - [ 0.0029059400000000, -0.0011340000000000, -0.0001094300000000 ] - [ 0.0005501000000000, -0.0003693800000000, 0.0001538700000000 ] - [ 0.0023367600000000, 0.0004418400000000, -0.0004179900000000 ] - [ -0.0026607700000000, -0.0020294600000000, -0.0003217100000000 ] - [ 0.0012124000000000, -0.0002873300000000, -0.0000175600000000 ] - [ 0.0018631100000000, -0.0003676600000000, -0.0003468800000000 ] - [ -0.0010032900000000, -0.0006326700000000, 0.0010759100000000 ] - [ 0.0069303200000000, -0.0125130100000000, 0.0122922600000000 ] - [ 0.0032198000000000, -0.0027189900000000, -0.0010671800000000 ] - [ 0.0009649900000000, -0.0021145700000000, 0.0018473900000000 ] - [ -0.0007357500000000, -0.0009213700000000, -0.0000697300000000 ] - [ 0.0043852000000000, -0.0066088800000000, -0.0149264300000000 ] - [ -0.0001252200000000, -0.0018285200000000, -0.0030732800000000 ] - [ 0.0014863400000000, -0.0005996600000000, -0.0002081800000000 ] - [ 0.0002429200000000, -0.0002692600000000, -0.0006385100000000 ] - [ -0.0045002700000000, 0.0097016300000000, 0.0110596700000000 ] - [ 0.0019233300000000, -0.0004212200000000, -0.0000832600000000 ] - [ -0.0022234500000000, 0.0015130900000000, 0.0015548600000000 ] - [ -0.0007877400000000, 0.0016641000000000, 0.0002446200000000 ] - [ -0.0009891300000000, 0.0004695000000000, -0.0009388400000000 ] - [ 0.0001083900000000, 0.0013690000000000, 0.0002185700000000 ] - [ -0.0001649900000000, -0.0005712900000000, 0.0009899000000000 ] - [ 0.0004763500000000, 0.0024911300000000, -0.0004485100000000 ] - [ -0.0132334900000000, 0.0069465900000000, -0.0054783000000000 ] - [ -0.0013799700000000, -0.0004648700000000, -0.0003488900000000 ] - [ 0.0035647100000000, 0.0012086400000000, 0.0015873800000000 ] - [ -0.0003177800000000, 0.0006680800000000, 0.0002412200000000 ] - [ 0.0008286200000000, -0.0024596800000000, -0.0001948500000000 ] - [ 0.0024584300000000, 0.0043678500000000, -0.0025910500000000 ] - [ 0.0009884000000000, 0.0007185000000000, 0.0007549100000000 ] - [ -0.0000314700000000, -0.0000901900000000, 0.0002548600000000 ] - [ -0.0014552600000000, 0.0014017300000000, -0.0006806500000000 ] - [ 0.0014907500000000, 0.0007875800000000, -0.0004301100000000 ] - [ 0.0037335500000000, -0.0003141600000000, 0.0018576100000000 ] - [ -0.0135517200000000, -0.0035344400000000, 0.0015977400000000 ] - [ 0.0000766100000000, 0.0012780700000000, 0.0010028500000000 ] - [ -0.0016455500000000, 0.0006760800000000, -0.0009860700000000 ] - [ -0.0004583400000000, -0.0006071000000000, 0.0002446200000000 ] - [ 0.0000907200000000, -0.0007688200000000, -0.0000293000000000 ] - [ 0.0017085900000000, -0.0008633400000000, 0.0014899100000000 ] - [ 0.0008549600000000, 0.0007831300000000, -0.0026640300000000 ]- atom: 28 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0018968500000000, 0.0006603800000000, -0.0009558500000000 ] - [ -0.0011399800000000, -0.0001228500000000, -0.0021019800000000 ] - [ -0.0008788700000000, 0.0028380700000000, 0.0027167900000000 ] - [ 0.0007936700000000, 0.0003071000000000, -0.0000942100000000 ] - [ -0.0017334400000000, 0.0019732200000000, -0.0025289000000000 ] - [ 0.0044311900000000, -0.0034219400000000, 0.0052927100000000 ] - [ -0.0026935800000000, -0.0014630900000000, -0.0004322600000000 ] - [ -0.3629972100000000, -0.1698465800000000, 0.0196426800000000 ] - [ 0.0060156100000000, -0.0026250100000000, -0.0007894200000000 ] - [ 0.0003554800000000, 0.0002933000000000, -0.0005567200000000 ] - [ 0.0047460100000000, 0.0048745900000000, -0.0024858300000000 ] - [ 0.0024631200000000, 0.0009191600000000, 0.0007393100000000 ] - [ -0.0034037700000000, 0.0015713400000000, 0.0008864400000000 ] - [ -0.0001448700000000, 0.0089748500000000, 0.0036532100000000 ] - [ -0.0009475600000000, 0.0010755700000000, -0.0002564200000000 ] - [ 0.0093967600000000, -0.0001746500000000, -0.0008597100000000 ] - [ 0.0036540600000000, -0.0069696200000000, 0.0085574400000000 ] - [ 0.0043698700000000, -0.0010900300000000, 0.0014309600000000 ] - [ 0.0060905100000000, -0.0008875800000000, -0.0080262400000000 ] - [ -0.0008558100000000, 0.0014560300000000, 0.0016121000000000 ] - [ -0.0086289400000000, -0.0006855900000000, -0.0007534400000000 ] - [ 0.0039496000000000, 0.0010770700000000, 0.0015194000000000 ] - [ 0.0027857600000000, 0.0001839600000000, -0.0000759700000000 ] - [ -0.0009834000000000, -0.0012754200000000, 0.0001004900000000 ] - [ -0.0015282200000000, -0.0010072400000000, -0.0024506600000000 ] - [ 0.0031107900000000, -0.0011105500000000, 0.0005029300000000 ] - [ -0.0029020100000000, -0.0008501600000000, -0.0029902400000000 ] - [ 0.3424411500000000, 0.1606171000000000, -0.0164696200000000 ] - [ -0.0020025400000000, 0.0006145400000000, 0.0009215100000000 ] - [ 0.0003761400000000, -0.0001832100000000, 0.0000234600000000 ] - [ -0.0016458700000000, -0.0014654700000000, 0.0004188900000000 ] - [ -0.0008004600000000, 0.0005164100000000, -0.0000471700000000 ] - [ -0.0015743500000000, -0.0004581200000000, -0.0006036700000000 ] - [ 0.0005415900000000, -0.0007200400000000, -0.0005313300000000 ] - [ 0.0025905300000000, -0.0027845400000000, -0.0023335100000000 ] - [ -0.0014471300000000, 0.0016994500000000, -0.0004048800000000 ] - [ 0.0000073000000000, 0.0001031800000000, -0.0000584100000000 ] - [ 0.0016170700000000, 0.0012571300000000, -0.0036570000000000 ] - [ -0.0005035700000000, 0.0001260700000000, 0.0003624900000000 ] - [ -0.0026231300000000, 0.0016550000000000, -0.0011050300000000 ] - [ 0.0007166100000000, 0.0003743900000000, 0.0010175600000000 ] - [ -0.0021968200000000, -0.0002853400000000, 0.0003496500000000 ] - [ 0.0033947600000000, 0.0027027600000000, 0.0007282800000000 ] - [ -0.0019450500000000, 0.0009595100000000, 0.0004270000000000 ] - [ -0.0002876700000000, -0.0015209900000000, -0.0001272800000000 ] - [ 0.0013168200000000, 0.0001198700000000, 0.0001345900000000 ] - [ -0.0070640400000000, 0.0122347000000000, -0.0121274900000000 ] - [ -0.0034803700000000, 0.0015755500000000, 0.0011807400000000 ] - [ -0.0025244600000000, 0.0002146200000000, -0.0023120600000000 ] - [ 0.0010140600000000, -0.0002166500000000, -0.0000403300000000 ] - [ -0.0031465000000000, 0.0065236500000000, 0.0136695200000000 ] - [ -0.0000192700000000, 0.0020030800000000, 0.0031479900000000 ] - [ -0.0007658200000000, -0.0000708800000000, -0.0001971000000000 ] - [ -0.0015093800000000, 0.0002730200000000, 0.0018061600000000 ] - [ 0.0044420600000000, -0.0089143400000000, -0.0114726900000000 ] - [ -0.0016332500000000, 0.0015499400000000, 0.0001848500000000 ] - [ 0.0025383000000000, -0.0010017100000000, -0.0003542200000000 ] - [ 0.0023635600000000, 0.0002309900000000, 0.0002226000000000 ] - [ -0.0002889000000000, -0.0004647400000000, -0.0002344500000000 ] - [ -0.0016980800000000, 0.0005152400000000, 0.0002515200000000 ] - [ 0.0001740900000000, 0.0013218600000000, -0.0004817000000000 ] - [ -0.0003380600000000, -0.0026654900000000, 0.0005332100000000 ] - [ 0.0124103100000000, -0.0062721300000000, 0.0050370700000000 ] - [ 0.0006589300000000, -0.0001945800000000, -0.0000549600000000 ] - [ -0.0038799000000000, -0.0007081800000000, -0.0003894700000000 ] - [ 0.0004560600000000, -0.0004869500000000, -0.0001624100000000 ] - [ -0.0008299600000000, 0.0032258400000000, -0.0003079000000000 ] - [ -0.0039513000000000, -0.0024340000000000, 0.0021126000000000 ] - [ -0.0008509400000000, -0.0009003400000000, -0.0008412900000000 ] - [ -0.0001066600000000, 0.0002713600000000, -0.0003326700000000 ] - [ 0.0021844500000000, -0.0020645300000000, 0.0010914100000000 ] - [ -0.0022225000000000, -0.0014636600000000, 0.0008482300000000 ] - [ -0.0050176800000000, 0.0003064700000000, -0.0007220800000000 ] - [ 0.0129681400000000, 0.0046394000000000, -0.0017020100000000 ] - [ -0.0000650900000000, -0.0020191900000000, -0.0004944300000000 ] - [ 0.0013455200000000, -0.0001600000000000, -0.0002279300000000 ] - [ -0.0011219100000000, -0.0012740600000000, 0.0002268800000000 ] - [ -0.0003623700000000, -0.0003705000000000, -0.0000815200000000 ] - [ -0.0020163200000000, 0.0003484400000000, -0.0002778200000000 ] - [ -0.0008596700000000, -0.0015542500000000, 0.0021595900000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009032600000000, -0.0008144100000000, 0.0005553300000000 ] - [ 0.0003551700000000, 0.0009271900000000, 0.0008030300000000 ] - [ 0.0000366400000000, 0.0016087800000000, 0.0005874900000000 ] - [ -0.0003484000000000, -0.0000359400000000, 0.0000634900000000 ] - [ 0.0029643700000000, -0.0036868500000000, 0.0003935100000000 ] - [ -0.0011957100000000, 0.0031515800000000, -0.0002129600000000 ] - [ 0.0010306600000000, -0.0001758500000000, -0.0004663000000000 ] - [ 0.1755265700000000, 0.1178653300000000, -0.0116173200000000 ] - [ -0.0011470700000000, 0.0004269200000000, 0.0007112300000000 ] - [ -0.0004385800000000, 0.0002128100000000, -0.0011720600000000 ] - [ -0.0038573100000000, -0.0033620200000000, 0.0022241100000000 ] - [ -0.0016869000000000, -0.0010573000000000, 0.0004308400000000 ] - [ 0.0018026400000000, -0.0015468700000000, -0.0008012900000000 ] - [ -0.0002415500000000, -0.0081150900000000, -0.0027333200000000 ] - [ -0.0005303300000000, -0.0017775400000000, 0.0006888900000000 ] - [ -0.0032712400000000, 0.0017006800000000, -0.0000231300000000 ] - [ -0.0002793700000000, 0.0006288400000000, -0.0005093600000000 ] - [ -0.0011383500000000, 0.0007819400000000, -0.0005657400000000 ] - [ -0.0026400700000000, 0.0004592300000000, 0.0025385000000000 ] - [ 0.0012189300000000, -0.0024671500000000, -0.0009724300000000 ] - [ 0.0079341200000000, -0.0049473300000000, 0.0037538100000000 ] - [ -0.0011263500000000, 0.0009022100000000, -0.0001173200000000 ] - [ -0.0009542600000000, -0.0000426800000000, 0.0003417300000000 ] - [ 0.0002332900000000, 0.0000589800000000, -0.0003137800000000 ] - [ 0.0001198300000000, 0.0009364200000000, 0.0012607800000000 ] - [ -0.0033994300000000, 0.0036517900000000, -0.0005542100000000 ] - [ 0.0001846500000000, -0.0003009900000000, -0.0006713300000000 ] - [ -0.1675064300000000, -0.1143830300000000, 0.0085010900000000 ] - [ 0.0006890400000000, -0.0013991700000000, -0.0001667700000000 ] - [ 0.0004424200000000, 0.0005283400000000, 0.0005831400000000 ] - [ 0.0011521100000000, 0.0000234000000000, -0.0001520900000000 ] - [ 0.0004189700000000, 0.0001205600000000, -0.0000954300000000 ] - [ 0.0014574800000000, 0.0016792900000000, 0.0007359100000000 ] - [ -0.0002369200000000, 0.0004043400000000, -0.0001798200000000 ] - [ -0.0017184400000000, 0.0017400600000000, 0.0007608800000000 ] - [ 0.0015108400000000, 0.0008157200000000, -0.0001231500000000 ] - [ -0.0002250100000000, 0.0001160400000000, 0.0001354500000000 ] - [ 0.0003149400000000, -0.0003781000000000, 0.0000706600000000 ] - [ 0.0002093500000000, 0.0005178100000000, 0.0001277500000000 ] - [ 0.0010308900000000, -0.0003273600000000, -0.0003061800000000 ] - [ 0.0006772800000000, 0.0000332200000000, 0.0007052700000000 ] - [ 0.0012665400000000, -0.0004682000000000, 0.0001507900000000 ] - [ -0.0019297800000000, -0.0006870000000000, -0.0011251100000000 ] - [ 0.0000877000000000, 0.0000982100000000, 0.0001911400000000 ] - [ 0.0013131700000000, -0.0005820200000000, -0.0002974900000000 ] - [ -0.0003673800000000, -0.0002037100000000, 0.0007913400000000 ] - [ -0.0028542000000000, -0.0074517300000000, 0.0032698300000000 ] - [ 0.0000583000000000, -0.0010816700000000, 0.0000761400000000 ] - [ 0.0004173800000000, -0.0022181400000000, 0.0006150200000000 ] - [ -0.0001641300000000, -0.0007800000000000, -0.0000090100000000 ] - [ -0.0005188500000000, -0.0048745100000000, -0.0063285200000000 ] - [ -0.0000923500000000, -0.0008370200000000, -0.0012250500000000 ] - [ 0.0009676200000000, -0.0008642900000000, -0.0003831600000000 ] - [ -0.0001719400000000, -0.0002744700000000, -0.0002279600000000 ] - [ 0.0009275500000000, 0.0081801100000000, 0.0065427600000000 ] - [ 0.0007405600000000, 0.0001242200000000, -0.0000514800000000 ] - [ -0.0020822600000000, 0.0021202200000000, 0.0013448300000000 ] - [ 0.0000443000000000, 0.0012795000000000, 0.0002885500000000 ] - [ -0.0003535700000000, 0.0009282900000000, -0.0003999400000000 ] - [ -0.0003270900000000, 0.0011409000000000, 0.0002643300000000 ] - [ -0.0001164000000000, 0.0001074400000000, 0.0004735500000000 ] - [ 0.0008109200000000, 0.0026519400000000, -0.0008683400000000 ] - [ -0.0029370600000000, 0.0105736800000000, -0.0064598500000000 ] - [ -0.0006519600000000, 0.0000458100000000, -0.0000768900000000 ] - [ 0.0011247400000000, 0.0002356300000000, 0.0008912300000000 ] - [ 0.0000554300000000, 0.0005809200000000, 0.0000812200000000 ] - [ 0.0000853700000000, -0.0003793400000000, -0.0003483400000000 ] - [ 0.0026531400000000, 0.0035974200000000, -0.0024814100000000 ] - [ 0.0002851800000000, -0.0001444200000000, -0.0000528100000000 ] - [ -0.0002105200000000, 0.0006787500000000, -0.0000307600000000 ] - [ -0.0007463900000000, 0.0009664900000000, -0.0003435900000000 ] - [ -0.0000260900000000, -0.0004495700000000, 0.0001699200000000 ] - [ 0.0008173900000000, -0.0008489000000000, 0.0011545700000000 ] - [ -0.0038323000000000, -0.0065132100000000, 0.0006849800000000 ] - [ 0.0001370700000000, 0.0013813600000000, 0.0008660400000000 ] - [ -0.0004165900000000, 0.0018268700000000, -0.0019535300000000 ] - [ -0.0010631900000000, -0.0004053600000000, 0.0002561500000000 ] - [ -0.0000770600000000, -0.0005642400000000, -0.0000564600000000 ] - [ 0.0005218700000000, -0.0006264500000000, 0.0007917800000000 ] - [ 0.0001596800000000, -0.0007373100000000, -0.0004033600000000 ]- atom: 28 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009101100000000, 0.0003907000000000, -0.0005543400000000 ] - [ -0.0003592900000000, -0.0005020800000000, -0.0007966700000000 ] - [ -0.0000840800000000, -0.0022089900000000, -0.0007371300000000 ] - [ 0.0003555600000000, 0.0004710600000000, -0.0000649900000000 ] - [ -0.0027937100000000, 0.0040666400000000, -0.0015499400000000 ] - [ 0.0013670200000000, -0.0028115700000000, 0.0013485000000000 ] - [ -0.0012296900000000, -0.0001865700000000, -0.0006812500000000 ] - [ -0.1722444800000000, -0.1175348500000000, 0.0103379300000000 ] - [ 0.0009490400000000, -0.0007570200000000, 0.0004345500000000 ] - [ 0.0006448000000000, -0.0005493800000000, 0.0000277200000000 ] - [ 0.0040619200000000, 0.0030184200000000, -0.0010935700000000 ] - [ 0.0015137000000000, 0.0014144600000000, 0.0007252600000000 ] - [ -0.0018381000000000, 0.0018931500000000, 0.0008010400000000 ] - [ 0.0005360300000000, 0.0079484000000000, 0.0028348400000000 ] - [ 0.0008220200000000, 0.0020207800000000, -0.0005810200000000 ] - [ 0.0035715300000000, -0.0014865900000000, -0.0000466500000000 ] - [ 0.0000083800000000, -0.0008879100000000, 0.0006029300000000 ] - [ 0.0011572500000000, -0.0011423800000000, 0.0005823500000000 ] - [ 0.0023816500000000, -0.0002358900000000, -0.0024713200000000 ] - [ -0.0015286300000000, 0.0027325500000000, 0.0008869900000000 ] - [ -0.0079543600000000, 0.0046670400000000, -0.0037504100000000 ] - [ 0.0011494100000000, -0.0005727500000000, 0.0001140800000000 ] - [ 0.0012583300000000, -0.0002072500000000, -0.0004414900000000 ] - [ -0.0005337500000000, -0.0002752200000000, 0.0002249000000000 ] - [ -0.0014407800000000, -0.0009319500000000, -0.0024850500000000 ] - [ 0.0036518200000000, -0.0025116100000000, 0.0004381900000000 ] - [ 0.0000923300000000, -0.0001986600000000, -0.0005111500000000 ] - [ 0.1653784400000000, 0.1124607400000000, -0.0076857900000000 ] - [ -0.0006973800000000, 0.0005960700000000, 0.0006313000000000 ] - [ 0.0008707300000000, -0.0005546700000000, 0.0006351800000000 ] - [ -0.0009266600000000, -0.0011827500000000, 0.0002700900000000 ] - [ 0.0003495300000000, 0.0006118300000000, -0.0003495100000000 ] - [ -0.0016898200000000, -0.0005210300000000, -0.0006258800000000 ] - [ 0.0002416200000000, -0.0012341200000000, -0.0002964900000000 ] - [ 0.0014477300000000, -0.0022603800000000, -0.0019525200000000 ] - [ 0.0000239000000000, 0.0010935300000000, -0.0003478700000000 ] - [ 0.0001226400000000, -0.0003567000000000, -0.0002676500000000 ] - [ 0.0009977200000000, 0.0004020900000000, -0.0012939900000000 ] - [ -0.0002173400000000, 0.0003153800000000, 0.0003327200000000 ] - [ -0.0007625000000000, 0.0008480700000000, -0.0008882200000000 ] - [ 0.0006227100000000, -0.0000174800000000, 0.0005038100000000 ] - [ -0.0011689100000000, 0.0007164500000000, -0.0002981000000000 ] - [ 0.0027165000000000, 0.0014034900000000, 0.0015703000000000 ] - [ -0.0008665000000000, 0.0006410700000000, 0.0002523600000000 ] - [ 0.0001881300000000, -0.0013490600000000, -0.0001760300000000 ] - [ 0.0006681800000000, -0.0002996300000000, 0.0003908700000000 ] - [ 0.0027618700000000, 0.0072672500000000, -0.0031260300000000 ] - [ -0.0002921700000000, -0.0000731100000000, 0.0000337200000000 ] - [ -0.0019517800000000, 0.0003147200000000, -0.0010815000000000 ] - [ 0.0004005000000000, -0.0003777300000000, -0.0001090200000000 ] - [ 0.0018169500000000, 0.0048946200000000, 0.0051176200000000 ] - [ -0.0000145400000000, 0.0010822300000000, 0.0013686900000000 ] - [ -0.0002062600000000, 0.0001505100000000, -0.0000496500000000 ] - [ -0.0011448000000000, 0.0003085000000000, 0.0014692000000000 ] - [ -0.0009000600000000, -0.0073737800000000, -0.0070209900000000 ] - [ -0.0005065100000000, 0.0010333000000000, 0.0001659100000000 ] - [ 0.0023938700000000, -0.0016394800000000, -0.0001776400000000 ] - [ 0.0015285200000000, 0.0006216500000000, 0.0001798400000000 ] - [ -0.0009638900000000, -0.0009534200000000, -0.0008377500000000 ] - [ -0.0011966800000000, 0.0007790400000000, 0.0002068700000000 ] - [ 0.0001199400000000, 0.0007129000000000, 0.0000036900000000 ] - [ -0.0007120000000000, -0.0029118200000000, 0.0010131700000000 ] - [ 0.0022383600000000, -0.0097698300000000, 0.0059614400000000 ] - [ -0.0001069300000000, -0.0007657700000000, -0.0003583000000000 ] - [ -0.0014189600000000, 0.0002680600000000, 0.0002810100000000 ] - [ 0.0000557700000000, -0.0003602400000000, 0.0000430600000000 ] - [ -0.0000884000000000, 0.0012236900000000, -0.0001091200000000 ] - [ -0.0041874200000000, -0.0016824000000000, 0.0020357700000000 ] - [ -0.0001776900000000, -0.0000726500000000, -0.0000744100000000 ] - [ 0.0000970500000000, -0.0004730000000000, -0.0000813900000000 ] - [ 0.0015309000000000, -0.0017057700000000, 0.0007948200000000 ] - [ -0.0007387800000000, -0.0002673800000000, 0.0002701500000000 ] - [ -0.0021304200000000, 0.0008463800000000, 0.0000572600000000 ] - [ 0.0036887500000000, 0.0075959900000000, -0.0008150300000000 ] - [ -0.0001314900000000, -0.0022171500000000, -0.0004088200000000 ] - [ 0.0001287200000000, -0.0013291800000000, 0.0007625500000000 ] - [ -0.0004451800000000, -0.0015253000000000, 0.0002139700000000 ] - [ -0.0001818800000000, -0.0005799400000000, -0.0000544500000000 ] - [ -0.0008223000000000, 0.0001362300000000, 0.0003886900000000 ] - [ -0.0001658200000000, -0.0000925800000000, -0.0000622100000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000547100000000, -0.0001603600000000, 0.0001681300000000 ] - [ 0.0003755200000000, 0.0002674600000000, -0.0020033100000000 ] - [ 0.0002926500000000, 0.0020950800000000, 0.0031181600000000 ] - [ 0.0000052900000000, 0.0002266400000000, -0.0001484600000000 ] - [ 0.0004380000000000, -0.0001893300000000, 0.0008380200000000 ] - [ -0.0029480900000000, 0.0012426700000000, -0.0008514300000000 ] - [ -0.0001593000000000, -0.0003094100000000, -0.0023203700000000 ] - [ -0.0186714500000000, -0.0097953300000000, 0.0292732100000000 ] - [ 0.0013441700000000, -0.0010211400000000, 0.0008324300000000 ] - [ -0.0001524700000000, 0.0000236600000000, -0.0020910400000000 ] - [ 0.0023445300000000, 0.0011528700000000, 0.0007495600000000 ] - [ -0.0007210400000000, -0.0002590000000000, 0.0002877100000000 ] - [ -0.0000319300000000, 0.0001375200000000, -0.0007924800000000 ] - [ 0.0001906300000000, -0.0026074100000000, -0.0011062800000000 ] - [ 0.0007945400000000, 0.0001389400000000, -0.0002475200000000 ] - [ -0.0002224800000000, 0.0001079700000000, 0.0023351500000000 ] - [ -0.0016802100000000, 0.0025195400000000, -0.0022784300000000 ] - [ 0.0002852000000000, -0.0007316200000000, 0.0010260900000000 ] - [ 0.0014458000000000, -0.0002320300000000, -0.0036516300000000 ] - [ -0.0005648400000000, 0.0003447600000000, 0.0010461600000000 ] - [ -0.0014485900000000, 0.0024409200000000, 0.0001063500000000 ] - [ -0.0001419700000000, -0.0001163700000000, -0.0008816300000000 ] - [ 0.0000719600000000, -0.0002747700000000, -0.0014695100000000 ] - [ -0.0001006100000000, 0.0003745600000000, -0.0011034600000000 ] - [ -0.0002805800000000, 0.0002165400000000, 0.0004171700000000 ] - [ -0.0004445500000000, 0.0009621200000000, -0.0005720000000000 ] - [ 0.0008657800000000, -0.0000567800000000, 0.0002166600000000 ] - [ 0.0188378400000000, 0.0076917000000000, -0.0265155400000000 ] - [ 0.0000010200000000, -0.0007365900000000, -0.0004802600000000 ] - [ 0.0006022900000000, -0.0000213800000000, 0.0001356400000000 ] - [ -0.0002686900000000, -0.0007913100000000, 0.0001109300000000 ] - [ 0.0004627900000000, 0.0006703300000000, -0.0006160200000000 ] - [ 0.0006663700000000, 0.0010677900000000, 0.0003768500000000 ] - [ -0.0001937100000000, -0.0003884000000000, 0.0001230000000000 ] - [ -0.0002681800000000, 0.0000768200000000, -0.0003223600000000 ] - [ 0.0005895500000000, 0.0010688300000000, -0.0002538600000000 ] - [ -0.0001375700000000, 0.0000017700000000, 0.0003414700000000 ] - [ 0.0007205800000000, -0.0006204900000000, 0.0005709600000000 ] - [ 0.0000191000000000, 0.0002362300000000, 0.0006866200000000 ] - [ -0.0010579100000000, 0.0009535700000000, -0.0005377600000000 ] - [ 0.0007919900000000, 0.0000569700000000, 0.0011871500000000 ] - [ -0.0002810000000000, 0.0004971000000000, -0.0009563100000000 ] - [ 0.0006146800000000, -0.0002998300000000, 0.0002486800000000 ] - [ -0.0004161200000000, 0.0004915300000000, 0.0000904000000000 ] - [ 0.0008727200000000, -0.0008976700000000, -0.0002198500000000 ] - [ -0.0000728600000000, -0.0004912900000000, 0.0010275300000000 ] - [ 0.0054008800000000, -0.0006337400000000, 0.0002668200000000 ] - [ -0.0017953100000000, 0.0003350300000000, 0.0002651400000000 ] - [ 0.0012976000000000, -0.0017973100000000, 0.0010690000000000 ] - [ 0.0003842000000000, -0.0004170100000000, 0.0003206200000000 ] - [ -0.0048744800000000, -0.0011092900000000, 0.0023982800000000 ] - [ -0.0000239500000000, 0.0007524400000000, 0.0011087100000000 ] - [ 0.0002601000000000, -0.0001233500000000, 0.0001595000000000 ] - [ -0.0009651000000000, 0.0001391500000000, 0.0014157300000000 ] - [ 0.0032502700000000, 0.0033719500000000, -0.0002130300000000 ] - [ 0.0006147200000000, 0.0003039400000000, -0.0000011800000000 ] - [ 0.0006845600000000, -0.0002039400000000, 0.0000024800000000 ] - [ 0.0007912600000000, 0.0008965800000000, 0.0005958200000000 ] - [ -0.0008880000000000, -0.0001738800000000, -0.0007968300000000 ] - [ -0.0007618900000000, 0.0009211800000000, 0.0003630300000000 ] - [ -0.0000317000000000, -0.0001758300000000, 0.0010384200000000 ] - [ 0.0004465900000000, 0.0012583900000000, -0.0006307500000000 ] - [ -0.0018462900000000, -0.0036130600000000, -0.0007682000000000 ] - [ -0.0002137400000000, -0.0001718600000000, 0.0001143000000000 ] - [ -0.0001827300000000, 0.0002050900000000, 0.0000805300000000 ] - [ -0.0001084000000000, 0.0002437300000000, 0.0003280100000000 ] - [ 0.0000254500000000, -0.0003245900000000, -0.0006127200000000 ] - [ -0.0031428400000000, -0.0013229900000000, 0.0006466300000000 ] - [ 0.0004182100000000, 0.0005294400000000, 0.0008205700000000 ] - [ 0.0001048300000000, 0.0004150000000000, -0.0005601500000000 ] - [ 0.0005058300000000, -0.0005875700000000, 0.0004649500000000 ] - [ -0.0004343500000000, -0.0003820300000000, 0.0003869600000000 ] - [ 0.0005522500000000, 0.0001222900000000, -0.0004370600000000 ] - [ -0.0003329600000000, 0.0004662400000000, -0.0053712300000000 ] - [ 0.0001486600000000, -0.0007520500000000, -0.0004799600000000 ] - [ -0.0004491900000000, -0.0001123900000000, -0.0002408000000000 ] - [ -0.0007979700000000, -0.0009269300000000, 0.0001197900000000 ] - [ -0.0001665300000000, -0.0005491100000000, 0.0000981200000000 ] - [ 0.0000926500000000, -0.0004017300000000, 0.0011183200000000 ] - [ -0.0002767600000000, -0.0012451800000000, 0.0010356600000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000684500000000, -0.0002629500000000, -0.0001782800000000 ] - [ -0.0003759900000000, 0.0001628600000000, 0.0019840100000000 ] - [ -0.0003345000000000, -0.0026496600000000, -0.0031892800000000 ] - [ -0.0000007000000000, 0.0002046900000000, 0.0001494100000000 ] - [ -0.0002343800000000, 0.0005445400000000, -0.0019779500000000 ] - [ 0.0031674300000000, -0.0009153000000000, 0.0019984300000000 ] - [ -0.0000550500000000, -0.0000467200000000, 0.0011711500000000 ] - [ 0.0162238600000000, 0.0090078000000000, -0.0300438900000000 ] - [ -0.0015141200000000, 0.0006722100000000, 0.0003144700000000 ] - [ 0.0003671200000000, -0.0003648000000000, 0.0009444500000000 ] - [ -0.0021300600000000, -0.0014824300000000, 0.0003857000000000 ] - [ 0.0005333700000000, 0.0006072700000000, 0.0008562100000000 ] - [ 0.0000008200000000, 0.0001826000000000, 0.0007927400000000 ] - [ 0.0000818400000000, 0.0024340400000000, 0.0012200300000000 ] - [ -0.0005284000000000, 0.0000826200000000, 0.0003426600000000 ] - [ 0.0005229600000000, 0.0001040200000000, -0.0024269500000000 ] - [ 0.0014284200000000, -0.0027497400000000, 0.0023959400000000 ] - [ -0.0002568400000000, 0.0004056600000000, -0.0010258700000000 ] - [ -0.0016810600000000, 0.0004462500000000, 0.0037389500000000 ] - [ 0.0002753800000000, -0.0001146800000000, -0.0011372400000000 ] - [ 0.0013983700000000, -0.0027369800000000, -0.0001124000000000 ] - [ 0.0001674600000000, 0.0004327500000000, 0.0008847900000000 ] - [ 0.0002150900000000, 0.0000487000000000, 0.0013655100000000 ] - [ -0.0001803500000000, -0.0005904200000000, 0.0010035100000000 ] - [ -0.0010012100000000, -0.0002180000000000, -0.0016002300000000 ] - [ 0.0007351900000000, 0.0001677100000000, 0.0004637200000000 ] - [ -0.0005811400000000, -0.0004555600000000, -0.0014272600000000 ] - [ -0.0154611900000000, -0.0084963400000000, 0.0268271400000000 ] - [ -0.0000172900000000, -0.0000256300000000, 0.0009675500000000 ] - [ 0.0006748700000000, 0.0000095200000000, 0.0010413100000000 ] - [ 0.0005314500000000, -0.0003497400000000, -0.0000011900000000 ] - [ 0.0002660600000000, 0.0000134400000000, 0.0001960700000000 ] - [ -0.0008800000000000, 0.0001001100000000, -0.0002620400000000 ] - [ 0.0001952000000000, -0.0003924500000000, -0.0006179100000000 ] - [ -0.0000120900000000, -0.0006032300000000, -0.0008937300000000 ] - [ 0.0009458800000000, 0.0008369900000000, -0.0002192600000000 ] - [ 0.0000103500000000, -0.0002007300000000, -0.0004372200000000 ] - [ 0.0005611200000000, 0.0006300100000000, -0.0017618000000000 ] - [ -0.0000268100000000, 0.0005439600000000, -0.0001982900000000 ] - [ 0.0013512200000000, -0.0004355900000000, -0.0006782300000000 ] - [ 0.0004775700000000, -0.0000485800000000, -0.0000106100000000 ] - [ 0.0004053800000000, -0.0003011100000000, 0.0008535500000000 ] - [ 0.0001500700000000, 0.0009914100000000, 0.0001790100000000 ] - [ -0.0003362400000000, 0.0002015800000000, 0.0003344700000000 ] - [ 0.0006325400000000, -0.0010310000000000, -0.0002509600000000 ] - [ 0.0003848900000000, -0.0000177600000000, 0.0001750100000000 ] - [ -0.0054850400000000, 0.0004782700000000, -0.0002369200000000 ] - [ 0.0015273700000000, -0.0014736500000000, -0.0001537800000000 ] - [ -0.0028729200000000, -0.0000947100000000, -0.0015532000000000 ] - [ -0.0001232600000000, -0.0007271900000000, -0.0004319600000000 ] - [ 0.0062381700000000, 0.0011278300000000, -0.0035771300000000 ] - [ -0.0001060400000000, -0.0005469400000000, -0.0009985700000000 ] - [ 0.0004704700000000, -0.0005547400000000, -0.0005762600000000 ] - [ -0.0003161600000000, -0.0001261100000000, -0.0002248900000000 ] - [ -0.0031986600000000, -0.0025936600000000, -0.0003259100000000 ] - [ -0.0003730500000000, 0.0008483600000000, 0.0001143300000000 ] - [ -0.0003594800000000, 0.0006976800000000, 0.0011878600000000 ] - [ 0.0007840100000000, 0.0009967600000000, -0.0001273600000000 ] - [ -0.0003890500000000, 0.0001599800000000, -0.0003885300000000 ] - [ -0.0007943500000000, 0.0009792400000000, 0.0001069100000000 ] - [ 0.0000359000000000, 0.0009513500000000, -0.0005416000000000 ] - [ -0.0003130900000000, -0.0014549300000000, 0.0007219700000000 ] - [ 0.0011779100000000, 0.0042766100000000, 0.0003961500000000 ] - [ -0.0005136300000000, -0.0005071800000000, -0.0005306300000000 ] - [ -0.0001365000000000, 0.0003031000000000, 0.0011159200000000 ] - [ 0.0002405100000000, -0.0000547300000000, -0.0002335000000000 ] - [ -0.0000289900000000, 0.0011051300000000, 0.0001169000000000 ] - [ 0.0015574200000000, 0.0031902200000000, -0.0011035200000000 ] - [ -0.0002923200000000, -0.0007206900000000, -0.0009168300000000 ] - [ -0.0002372200000000, -0.0002304600000000, 0.0004705000000000 ] - [ 0.0002464900000000, -0.0001062200000000, -0.0000384100000000 ] - [ -0.0003107400000000, -0.0003037800000000, 0.0000357100000000 ] - [ -0.0018415100000000, -0.0001261700000000, 0.0016145000000000 ] - [ 0.0002395300000000, 0.0007659500000000, 0.0052463600000000 ] - [ -0.0001398800000000, -0.0000233200000000, 0.0009661200000000 ] - [ 0.0001601200000000, 0.0006164800000000, -0.0009654500000000 ] - [ -0.0007822400000000, -0.0009654200000000, 0.0003468600000000 ] - [ -0.0000959200000000, -0.0005946000000000, -0.0002090600000000 ] - [ -0.0004071100000000, -0.0001013900000000, 0.0000825700000000 ] - [ 0.0002743500000000, 0.0004675500000000, -0.0015243800000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000378800000000, 0.0012756700000000, -0.0014212200000000 ] - [ -0.0004932600000000, 0.0002835300000000, -0.0001993800000000 ] - [ -0.0008294200000000, 0.0001394200000000, 0.0000106500000000 ] - [ 0.0002914400000000, 0.0002470400000000, -0.0000250300000000 ] - [ -0.0013617200000000, -0.0008863900000000, 0.0000680700000000 ] - [ 0.0003583300000000, -0.0034517400000000, 0.0062752500000000 ] - [ -0.0010331000000000, -0.0006055100000000, -0.0007674200000000 ] - [ -0.0056831100000000, -0.0007447900000000, -0.0004395700000000 ] - [ 0.0186166500000000, 0.0052746400000000, 0.0135967900000000 ] - [ -0.0003533800000000, 0.0002574900000000, -0.0007628000000000 ] - [ -0.0014652200000000, 0.0024305300000000, -0.0021198300000000 ] - [ 0.0019447200000000, -0.0004855300000000, -0.0000920200000000 ] - [ -0.0012467300000000, 0.0003067000000000, -0.0000460400000000 ] - [ -0.0008415000000000, 0.0002264700000000, 0.0006053000000000 ] - [ -0.0009531800000000, -0.0000321100000000, -0.0002401800000000 ] - [ 0.0583725400000000, -0.0579616600000000, -0.0226956200000000 ] - [ -0.0010493900000000, -0.0008703200000000, 0.0010766400000000 ] - [ -0.0022259000000000, -0.0050458300000000, -0.0082740100000000 ] - [ -0.0018770400000000, 0.0005777800000000, -0.0010844500000000 ] - [ 0.0000892400000000, -0.0001661600000000, 0.0016378700000000 ] - [ -0.0024677300000000, -0.0009063600000000, -0.0000440700000000 ] - [ -0.0002059300000000, -0.0008277800000000, 0.0022218100000000 ] - [ 0.0020308500000000, 0.0004889900000000, 0.0001706600000000 ] - [ -0.0003900700000000, -0.0009454900000000, -0.0005564500000000 ] - [ -0.0005027300000000, -0.0000976300000000, -0.0006899600000000 ] - [ 0.0007947000000000, 0.0004162500000000, -0.0000184100000000 ] - [ 0.0002564000000000, -0.0000312100000000, -0.0012988100000000 ] - [ 0.0027542300000000, -0.0002743500000000, 0.0002425500000000 ] - [ -0.0686289200000000, 0.0504836300000000, 0.0089320000000000 ] - [ 0.0000611800000000, 0.0001042100000000, -0.0001575100000000 ] - [ -0.0007538800000000, -0.0010901900000000, 0.0004320000000000 ] - [ 0.0027183200000000, 0.0028646100000000, 0.0001852100000000 ] - [ -0.0006517500000000, 0.0001823900000000, -0.0000768800000000 ] - [ 0.0002239500000000, -0.0003973400000000, -0.0001566700000000 ] - [ 0.0005783700000000, -0.0005376100000000, -0.0008727600000000 ] - [ -0.0036982000000000, 0.0000372100000000, -0.0034645000000000 ] - [ -0.0002587500000000, 0.0004608600000000, 0.0004494700000000 ] - [ 0.0010988700000000, 0.0001931700000000, -0.0011853700000000 ] - [ -0.0003511300000000, -0.0000249500000000, 0.0005520700000000 ] - [ 0.0016328600000000, -0.0001123100000000, 0.0011588700000000 ] - [ 0.0008256100000000, 0.0008026600000000, 0.0017099300000000 ] - [ -0.0051709500000000, -0.0139759500000000, 0.0020647400000000 ] - [ 0.0016174100000000, 0.0013841000000000, 0.0003743700000000 ] - [ -0.0028809900000000, 0.0032297700000000, 0.0032127500000000 ] - [ 0.0001987800000000, -0.0012101500000000, -0.0000443000000000 ] - [ 0.0005492600000000, -0.0000475900000000, 0.0005448100000000 ] - [ 0.0004241300000000, 0.0001327400000000, -0.0002922100000000 ] - [ -0.0004004700000000, 0.0029562200000000, 0.0058044600000000 ] - [ 0.0000974100000000, -0.0011269700000000, -0.0005107500000000 ] - [ 0.0005518800000000, -0.0004474900000000, -0.0000083100000000 ] - [ 0.0011681100000000, -0.0000670300000000, -0.0003846400000000 ] - [ 0.0004966100000000, 0.0005444400000000, 0.0007111600000000 ] - [ 0.0005516600000000, -0.0005072800000000, -0.0005624500000000 ] - [ -0.0012204200000000, 0.0001538500000000, 0.0013503600000000 ] - [ 0.0004100100000000, 0.0000701400000000, -0.0006406900000000 ] - [ -0.0020955600000000, 0.0015051400000000, 0.0004623900000000 ] - [ 0.0006412800000000, 0.0002697900000000, 0.0003149300000000 ] - [ 0.0012782100000000, 0.0007391300000000, 0.0002580200000000 ] - [ -0.0001750200000000, 0.0001053200000000, -0.0001549400000000 ] - [ -0.0009361600000000, 0.0008392400000000, 0.0002708300000000 ] - [ 0.0000593500000000, 0.0010039500000000, -0.0002147500000000 ] - [ 0.0004034500000000, 0.0001054200000000, -0.0003032100000000 ] - [ 0.0007649100000000, -0.0002579000000000, 0.0002570400000000 ] - [ 0.0001261800000000, -0.0001029300000000, -0.0000085200000000 ] - [ 0.0071346500000000, 0.0253580100000000, 0.0165145200000000 ] - [ 0.0002864800000000, 0.0000377500000000, 0.0000865100000000 ] - [ 0.0000992000000000, 0.0006188200000000, -0.0004803000000000 ] - [ 0.0000863400000000, 0.0010580500000000, -0.0002105700000000 ] - [ -0.0007178700000000, -0.0009856900000000, -0.0010379700000000 ] - [ -0.0003059600000000, 0.0016026300000000, -0.0000223200000000 ] - [ 0.0010609800000000, -0.0009251200000000, 0.0006293100000000 ] - [ -0.0011069300000000, -0.0007262700000000, -0.0024286500000000 ] - [ -0.0012816900000000, -0.0119171800000000, -0.0171525200000000 ] - [ 0.0036764600000000, 0.0013181400000000, -0.0001181400000000 ] - [ 0.0001601000000000, -0.0008925700000000, -0.0004131300000000 ] - [ 0.0007260100000000, 0.0006809100000000, -0.0008517600000000 ] - [ -0.0006648200000000, -0.0011069600000000, 0.0000924700000000 ] - [ -0.0000867600000000, -0.0005372000000000, -0.0000356500000000 ] - [ -0.0010645700000000, 0.0003713000000000, -0.0000321000000000 ] - [ 0.0002510100000000, -0.0008085700000000, 0.0003230000000000 ]- atom: 29 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000348800000000, -0.0017100800000000, 0.0014235600000000 ] - [ 0.0004920000000000, 0.0001511500000000, 0.0001977000000000 ] - [ 0.0008339500000000, -0.0005759200000000, -0.0000099500000000 ] - [ -0.0002901900000000, 0.0001853200000000, 0.0000241500000000 ] - [ 0.0015620300000000, 0.0012230500000000, -0.0012067300000000 ] - [ -0.0001665200000000, 0.0038196700000000, -0.0051531700000000 ] - [ 0.0008453200000000, 0.0002492000000000, -0.0003784700000000 ] - [ 0.0055037700000000, 0.0011042000000000, -0.0006950600000000 ] - [ -0.0189428200000000, -0.0056842700000000, -0.0125576800000000 ] - [ 0.0005547800000000, -0.0006059600000000, -0.0003832600000000 ] - [ 0.0016687800000000, -0.0028220400000000, 0.0032962200000000 ] - [ -0.0021384500000000, 0.0008207300000000, 0.0012375100000000 ] - [ 0.0012381600000000, -0.0000046700000000, 0.0000449300000000 ] - [ 0.0011079700000000, -0.0004442700000000, -0.0005138000000000 ] - [ 0.0012230300000000, 0.0002477800000000, 0.0003519200000000 ] - [ -0.0589643200000000, 0.0591128300000000, 0.0229380000000000 ] - [ 0.0007892500000000, 0.0006526600000000, -0.0009834800000000 ] - [ 0.0022082600000000, 0.0046793500000000, 0.0082171400000000 ] - [ 0.0016055300000000, -0.0003589500000000, 0.0011899100000000 ] - [ -0.0003734500000000, 0.0003601700000000, -0.0017313100000000 ] - [ 0.0024561100000000, 0.0005980800000000, 0.0000569900000000 ] - [ 0.0002187200000000, 0.0011482600000000, -0.0022326200000000 ] - [ -0.0017682600000000, -0.0007131000000000, -0.0002685800000000 ] - [ 0.0001138100000000, 0.0007289500000000, 0.0004508900000000 ] - [ -0.0007857000000000, 0.0001042200000000, -0.0004964600000000 ] - [ -0.0005826100000000, 0.0007556000000000, -0.0001021900000000 ] - [ 0.0000385200000000, -0.0004896300000000, 0.0000915300000000 ] - [ -0.0012084600000000, -0.0016389900000000, 0.0002235600000000 ] - [ 0.0697569600000000, -0.0518069600000000, -0.0084918900000000 ] - [ 0.0012288200000000, -0.0001144400000000, 0.0013497300000000 ] - [ 0.0009919500000000, -0.0000609200000000, -0.0003178700000000 ] - [ -0.0019618200000000, -0.0021517400000000, -0.0006152700000000 ] - [ 0.0004348300000000, 0.0009858500000000, 0.0001940400000000 ] - [ -0.0002253100000000, -0.0003952600000000, -0.0003292100000000 ] - [ -0.0008765600000000, 0.0000207400000000, -0.0003341300000000 ] - [ 0.0052477900000000, 0.0018614400000000, 0.0029877700000000 ] - [ 0.0001395900000000, -0.0006747100000000, -0.0005578800000000 ] - [ 0.0001889700000000, -0.0001815600000000, -0.0000083500000000 ] - [ 0.0003447300000000, 0.0008251300000000, -0.0000775100000000 ] - [ -0.0013306100000000, 0.0006333100000000, -0.0023672200000000 ] - [ 0.0004560300000000, -0.0007948500000000, -0.0005253500000000 ] - [ 0.0051792800000000, 0.0141674600000000, -0.0021418700000000 ] - [ -0.0008548000000000, -0.0006888600000000, 0.0000497700000000 ] - [ 0.0021200700000000, -0.0025173400000000, -0.0027782400000000 ] - [ 0.0013192000000000, -0.0007111700000000, -0.0004295800000000 ] - [ -0.0002306200000000, -0.0004675800000000, 0.0006643800000000 ] - [ -0.0005521500000000, -0.0003357800000000, 0.0003975100000000 ] - [ 0.0001826600000000, -0.0040764900000000, -0.0056143400000000 ] - [ -0.0016296200000000, -0.0007915300000000, 0.0000438900000000 ] - [ -0.0003040500000000, -0.0007053400000000, -0.0001053000000000 ] - [ 0.0001239000000000, 0.0000572000000000, -0.0008176300000000 ] - [ -0.0006175600000000, -0.0003305600000000, -0.0005976000000000 ] - [ 0.0001893800000000, -0.0001873100000000, 0.0001431700000000 ] - [ -0.0000643000000000, -0.0001416000000000, -0.0001595900000000 ] - [ -0.0004087200000000, 0.0007155800000000, 0.0001522900000000 ] - [ 0.0023277900000000, -0.0003516900000000, -0.0003473300000000 ] - [ -0.0003189500000000, 0.0002399200000000, 0.0008820000000000 ] - [ 0.0002812800000000, 0.0011648500000000, 0.0002117000000000 ] - [ -0.0011210300000000, -0.0001191500000000, -0.0010537700000000 ] - [ -0.0006119900000000, 0.0010670700000000, 0.0002007900000000 ] - [ -0.0000510400000000, -0.0002250300000000, 0.0007099300000000 ] - [ -0.0002809000000000, -0.0003166300000000, 0.0004143900000000 ] - [ -0.0015137700000000, 0.0009490000000000, -0.0006873100000000 ] - [ -0.0008734800000000, -0.0005935900000000, -0.0004166600000000 ] - [ -0.0074750900000000, -0.0249868800000000, -0.0153552300000000 ] - [ -0.0001598700000000, 0.0001616300000000, 0.0000136100000000 ] - [ -0.0000985700000000, 0.0001778100000000, 0.0000011600000000 ] - [ -0.0016124800000000, 0.0008598500000000, -0.0002629900000000 ] - [ 0.0008415100000000, 0.0007849500000000, 0.0009332400000000 ] - [ 0.0001860000000000, -0.0013807800000000, -0.0000859500000000 ] - [ -0.0003048500000000, 0.0002303600000000, -0.0002017000000000 ] - [ 0.0003478800000000, 0.0000091900000000, 0.0028731700000000 ] - [ -0.0000399600000000, 0.0118030200000000, 0.0181477100000000 ] - [ -0.0039437500000000, -0.0001693900000000, -0.0000000800000000 ] - [ -0.0001493400000000, 0.0001312000000000, 0.0009024100000000 ] - [ -0.0010246200000000, -0.0001655600000000, -0.0003632400000000 ] - [ -0.0008592100000000, -0.0008121600000000, 0.0003777300000000 ] - [ -0.0001705300000000, -0.0006114200000000, -0.0000762900000000 ] - [ 0.0007526100000000, -0.0008887600000000, 0.0012447800000000 ] - [ -0.0002497700000000, 0.0000161500000000, -0.0008070500000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014050600000000, -0.0006740700000000, 0.0022597800000000 ] - [ -0.0005984100000000, 0.0017324100000000, -0.0005281100000000 ] - [ 0.0012831800000000, -0.0010101100000000, -0.0002810700000000 ] - [ 0.0004748200000000, -0.0017143100000000, -0.0007554000000000 ] - [ -0.0002052900000000, -0.0049660600000000, 0.0017150500000000 ] - [ 0.0017106000000000, 0.0103181700000000, -0.0094046500000000 ] - [ 0.0001151500000000, -0.0012412800000000, -0.0012834400000000 ] - [ 0.0006676600000000, 0.0032508500000000, 0.0007791800000000 ] - [ 0.0006920600000000, 0.0157539100000000, 0.0102229800000000 ] - [ 0.0015288800000000, 0.0003751900000000, -0.0027609800000000 ] - [ 0.0069292200000000, -0.0156993800000000, 0.0120327600000000 ] - [ 0.0015980200000000, -0.0062802300000000, -0.0005829000000000 ] - [ 0.0002009500000000, -0.0034106500000000, 0.0005424100000000 ] - [ 0.0000687300000000, -0.0005289300000000, 0.0009241900000000 ] - [ -0.0002427600000000, -0.0009943400000000, -0.0003826900000000 ] - [ -0.0477080600000000, 0.2849291900000000, 0.0893154100000000 ] - [ 0.0000509700000000, 0.0003899200000000, 0.0013350400000000 ] - [ -0.0085871600000000, -0.0108152700000000, -0.0159169400000000 ] - [ -0.0041293500000000, 0.0028957200000000, -0.0019700300000000 ] - [ -0.0063046100000000, -0.0151038400000000, 0.0093038300000000 ] - [ -0.0006211900000000, 0.0016006300000000, 0.0023518300000000 ] - [ 0.0058439000000000, 0.0076024400000000, -0.0025762700000000 ] - [ -0.0037001800000000, -0.0002030000000000, -0.0003186800000000 ] - [ -0.0054162500000000, 0.0004105300000000, -0.0084094300000000 ] - [ -0.0011317400000000, 0.0000543200000000, -0.0005206900000000 ] - [ -0.0001383900000000, 0.0011144500000000, -0.0002719100000000 ] - [ -0.0013785700000000, -0.0022976900000000, -0.0019973700000000 ] - [ -0.0002465600000000, -0.0019390700000000, -0.0001387300000000 ] - [ 0.0489348100000000, -0.3776304300000000, -0.1409064100000000 ] - [ 0.0002393000000000, 0.0033981300000000, -0.0034265700000000 ] - [ 0.0030511800000000, 0.0026142900000000, -0.0010300000000000 ] - [ 0.0057987300000000, 0.0059013900000000, -0.0002231900000000 ] - [ 0.0003613100000000, 0.0016784400000000, 0.0004289600000000 ] - [ 0.0000215900000000, 0.0001138400000000, -0.0001958900000000 ] - [ 0.0000089700000000, 0.0006007800000000, -0.0003669900000000 ] - [ -0.0085901200000000, 0.0087508300000000, 0.0027941100000000 ] - [ -0.0002150800000000, 0.0017780200000000, 0.0031799600000000 ] - [ 0.0005220400000000, -0.0001851200000000, -0.0008221000000000 ] - [ 0.0004442300000000, 0.0011923700000000, 0.0001085400000000 ] - [ 0.0044359200000000, -0.0013465000000000, 0.0034275500000000 ] - [ 0.0049838000000000, 0.0048586800000000, 0.0120115700000000 ] - [ -0.0190753900000000, 0.0449063800000000, -0.0113655400000000 ] - [ -0.0004646400000000, -0.0016842500000000, -0.0014221400000000 ] - [ -0.0025463300000000, 0.0062035200000000, 0.0052588200000000 ] - [ 0.0010700200000000, -0.0001351600000000, -0.0002186600000000 ] - [ 0.0017829000000000, 0.0009860400000000, 0.0006341700000000 ] - [ 0.0002333300000000, -0.0005882400000000, -0.0002727300000000 ] - [ 0.0117049800000000, -0.0092853900000000, 0.0023859500000000 ] - [ -0.0019080400000000, -0.0012700300000000, 0.0006445800000000 ] - [ -0.0000194400000000, -0.0007494500000000, 0.0001566700000000 ] - [ 0.0015159200000000, -0.0008906500000000, -0.0010864200000000 ] - [ 0.0008907000000000, 0.0004044200000000, 0.0012037800000000 ] - [ -0.0010203900000000, -0.0010393500000000, 0.0007592300000000 ] - [ 0.0007913300000000, -0.0013708600000000, -0.0021638500000000 ] - [ 0.0003492400000000, 0.0000768000000000, -0.0009365100000000 ] - [ 0.0021836900000000, -0.0015487700000000, -0.0004513500000000 ] - [ 0.0022136900000000, 0.0004435300000000, -0.0016019800000000 ] - [ 0.0004804900000000, 0.0010511800000000, 0.0003658700000000 ] - [ -0.0004761900000000, 0.0005240400000000, -0.0002322500000000 ] - [ -0.0016929700000000, 0.0006349800000000, 0.0007773300000000 ] - [ 0.0005907900000000, -0.0023676100000000, 0.0042716700000000 ] - [ 0.0003126300000000, 0.0009117700000000, -0.0008534200000000 ] - [ -0.0001048200000000, -0.0001565000000000, -0.0004677300000000 ] - [ -0.0001188100000000, 0.0005858300000000, -0.0000435000000000 ] - [ 0.0180201700000000, 0.0309266200000000, 0.0254220900000000 ] - [ -0.0001017000000000, 0.0006704200000000, 0.0005704500000000 ] - [ 0.0001960700000000, 0.0003389800000000, -0.0008249600000000 ] - [ -0.0035655500000000, 0.0001500900000000, -0.0009281100000000 ] - [ 0.0008855000000000, 0.0004640300000000, 0.0013324600000000 ] - [ 0.0072134400000000, 0.0152748100000000, -0.0074569300000000 ] - [ -0.0012871200000000, 0.0031602400000000, -0.0013015300000000 ] - [ -0.0067852200000000, -0.0099746800000000, 0.0041628600000000 ] - [ -0.0113000100000000, 0.0045813300000000, 0.0211944500000000 ] - [ -0.0015614500000000, -0.0006421200000000, -0.0003161200000000 ] - [ 0.0004943800000000, 0.0078136400000000, 0.0024796000000000 ] - [ 0.0002254700000000, 0.0004137800000000, -0.0010187200000000 ] - [ -0.0023826700000000, 0.0008500500000000, -0.0001522900000000 ] - [ -0.0004558600000000, -0.0002379300000000, 0.0001725000000000 ] - [ 0.0011645300000000, -0.0025675900000000, 0.0025891100000000 ] - [ 0.0003899900000000, -0.0021381100000000, 0.0010704500000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014196800000000, 0.0002723500000000, -0.0022749900000000 ] - [ 0.0005940300000000, -0.0013079200000000, 0.0005256800000000 ] - [ -0.0012858600000000, 0.0005662600000000, 0.0002849100000000 ] - [ -0.0004657000000000, 0.0021493100000000, 0.0007499000000000 ] - [ 0.0004116200000000, 0.0053190100000000, -0.0028579900000000 ] - [ -0.0015075100000000, -0.0099759600000000, 0.0104879900000000 ] - [ -0.0002969500000000, 0.0008689000000000, 0.0001304100000000 ] - [ -0.0008752900000000, -0.0029102700000000, -0.0019070000000000 ] - [ -0.0008133800000000, -0.0155876500000000, -0.0083068800000000 ] - [ -0.0013336800000000, -0.0007132000000000, 0.0016115100000000 ] - [ -0.0067822300000000, 0.0153980500000000, -0.0109541600000000 ] - [ -0.0017868400000000, 0.0066315100000000, 0.0017375800000000 ] - [ -0.0002424500000000, 0.0037605700000000, -0.0005563800000000 ] - [ 0.0002117400000000, 0.0003170400000000, -0.0008379200000000 ] - [ 0.0005369800000000, 0.0012387700000000, 0.0004798700000000 ] - [ 0.0523545400000000, -0.3032240800000000, -0.0977188700000000 ] - [ -0.0003455300000000, -0.0006565000000000, -0.0012465200000000 ] - [ 0.0086034800000000, 0.0104790400000000, 0.0159580200000000 ] - [ 0.0038627600000000, -0.0026843300000000, 0.0020524800000000 ] - [ 0.0059842000000000, 0.0153691100000000, -0.0093426100000000 ] - [ 0.0006096400000000, -0.0018944000000000, -0.0023330400000000 ] - [ -0.0058573400000000, -0.0073082600000000, 0.0026046900000000 ] - [ 0.0040240500000000, -0.0000696800000000, 0.0001966200000000 ] - [ 0.0051208400000000, -0.0006216000000000, 0.0083170800000000 ] - [ -0.0001997900000000, -0.0000394800000000, -0.0007186300000000 ] - [ 0.0003523700000000, 0.0000568300000000, 0.0001486500000000 ] - [ 0.0016630700000000, 0.0018079700000000, 0.0008204400000000 ] - [ 0.0017768300000000, 0.0000206300000000, 0.0006032200000000 ] - [ -0.0534968600000000, 0.3959887600000000, 0.1492801600000000 ] - [ 0.0010874800000000, -0.0034381200000000, 0.0046595400000000 ] - [ -0.0028641500000000, -0.0037997900000000, 0.0011544700000000 ] - [ -0.0050513600000000, -0.0051832400000000, -0.0002294700000000 ] - [ -0.0005451700000000, -0.0004919700000000, -0.0003056500000000 ] - [ -0.0000214900000000, -0.0009888100000000, -0.0002370900000000 ] - [ -0.0002787500000000, -0.0011132200000000, -0.0008136200000000 ] - [ 0.0100678100000000, -0.0067661800000000, -0.0032117900000000 ] - [ 0.0001258000000000, -0.0020488500000000, -0.0033343800000000 ] - [ 0.0008155100000000, 0.0002265400000000, -0.0004450900000000 ] - [ -0.0004519000000000, -0.0003283900000000, 0.0003399300000000 ] - [ -0.0041805000000000, 0.0018655700000000, -0.0046372700000000 ] - [ -0.0036691200000000, -0.0048373700000000, -0.0107842000000000 ] - [ 0.0195232700000000, -0.0454049600000000, 0.0113620000000000 ] - [ 0.0012457500000000, 0.0024134200000000, 0.0018735200000000 ] - [ 0.0017655400000000, -0.0054625700000000, -0.0048193300000000 ] - [ 0.0004044000000000, -0.0018170100000000, -0.0002541800000000 ] - [ -0.0014873800000000, -0.0014944700000000, 0.0005494900000000 ] - [ -0.0003364600000000, 0.0003563100000000, 0.0004093500000000 ] - [ -0.0118714600000000, 0.0080141700000000, -0.0023160400000000 ] - [ 0.0003845300000000, -0.0006519000000000, -0.0011116300000000 ] - [ 0.0002642200000000, -0.0004083800000000, -0.0002714000000000 ] - [ -0.0001969000000000, 0.0008731600000000, -0.0001482900000000 ] - [ -0.0009798700000000, -0.0001212000000000, -0.0010320900000000 ] - [ 0.0018087800000000, 0.0002953900000000, -0.0012100900000000 ] - [ -0.0021383900000000, 0.0014236200000000, 0.0034563500000000 ] - [ -0.0003414900000000, 0.0007561100000000, 0.0004669800000000 ] - [ -0.0019713500000000, 0.0027152100000000, 0.0005851400000000 ] - [ -0.0019036500000000, 0.0000300400000000, 0.0027547600000000 ] - [ 0.0010397300000000, 0.0008789900000000, 0.0001058700000000 ] - [ -0.0008567600000000, -0.0005605000000000, -0.0010242400000000 ] - [ 0.0001568000000000, 0.0012768600000000, -0.0003048500000000 ] - [ -0.0005864700000000, 0.0032018300000000, -0.0038051900000000 ] - [ -0.0002166300000000, -0.0011737800000000, 0.0010027500000000 ] - [ -0.0006645900000000, 0.0008742700000000, 0.0000232400000000 ] - [ -0.0006587800000000, -0.0013399800000000, -0.0004059800000000 ] - [ -0.0186083100000000, -0.0308410000000000, -0.0245820900000000 ] - [ 0.0001977200000000, -0.0004234600000000, -0.0004228400000000 ] - [ -0.0001996300000000, 0.0005264500000000, 0.0003804100000000 ] - [ 0.0020991700000000, 0.0017994000000000, 0.0004591200000000 ] - [ -0.0007883100000000, -0.0006978200000000, -0.0014627400000000 ] - [ -0.0072671400000000, -0.0149650300000000, 0.0073132400000000 ] - [ 0.0020965200000000, -0.0039347500000000, 0.0017720600000000 ] - [ 0.0060081700000000, 0.0092111200000000, -0.0037751000000000 ] - [ 0.0100474900000000, -0.0045588200000000, -0.0200182600000000 ] - [ 0.0013574000000000, 0.0018075500000000, 0.0001968400000000 ] - [ -0.0004840600000000, -0.0086788400000000, -0.0020621000000000 ] - [ -0.0005116000000000, 0.0000776300000000, -0.0001640200000000 ] - [ 0.0008714100000000, -0.0027851900000000, 0.0006193000000000 ] - [ 0.0002309600000000, -0.0009286500000000, -0.0002931700000000 ] - [ -0.0014697300000000, 0.0020873300000000, -0.0014184400000000 ] - [ -0.0003941100000000, 0.0012824900000000, -0.0015179900000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0014550700000000, 0.0021451400000000, 0.0000863500000000 ] - [ -0.0009804300000000, 0.0011030400000000, -0.0010480000000000 ] - [ 0.0013862100000000, -0.0015322900000000, 0.0003810900000000 ] - [ 0.0007670900000000, -0.0011377100000000, -0.0009528800000000 ] - [ -0.0006598700000000, -0.0028823500000000, 0.0023690100000000 ] - [ 0.0064426500000000, 0.0079912900000000, -0.0177718800000000 ] - [ -0.0000224300000000, -0.0011222200000000, -0.0024219300000000 ] - [ -0.0006152500000000, 0.0009399300000000, 0.0021451200000000 ] - [ 0.0096158900000000, 0.0186519600000000, 0.0414822000000000 ] - [ 0.0016851400000000, -0.0004161100000000, -0.0038760300000000 ] - [ 0.0000230800000000, -0.0021323900000000, 0.0014382200000000 ] - [ 0.0014511000000000, -0.0040224400000000, -0.0015256800000000 ] - [ -0.0016182900000000, -0.0012819700000000, -0.0004828900000000 ] - [ -0.0003843000000000, 0.0000415200000000, 0.0015660000000000 ] - [ 0.0003346300000000, -0.0002297800000000, -0.0011768200000000 ] - [ -0.0155387300000000, 0.0712435400000000, 0.0818146700000000 ] - [ 0.0020127400000000, 0.0006646300000000, 0.0022638300000000 ] - [ -0.0066668400000000, -0.0084202000000000, -0.0118524500000000 ] - [ -0.0033291800000000, 0.0016668700000000, -0.0025357300000000 ] - [ -0.0037312400000000, -0.0058541400000000, 0.0094382000000000 ] - [ 0.0021337700000000, 0.0038798600000000, 0.0030098200000000 ] - [ 0.0094464200000000, 0.0084127500000000, -0.0053130200000000 ] - [ -0.0027411800000000, -0.0008724400000000, -0.0060965100000000 ] - [ -0.0052450800000000, 0.0020751700000000, -0.0101228600000000 ] - [ -0.0010756100000000, -0.0000609700000000, -0.0006301500000000 ] - [ 0.0000904200000000, 0.0009123800000000, -0.0004207700000000 ] - [ -0.0028771700000000, -0.0026487000000000, -0.0018840600000000 ] - [ 0.0000737000000000, -0.0013543100000000, -0.0004997400000000 ] - [ 0.0082544200000000, -0.1450414100000000, -0.1453001100000000 ] - [ -0.0004288300000000, 0.0010931800000000, -0.0033464600000000 ] - [ 0.0006919100000000, 0.0003848200000000, -0.0002114200000000 ] - [ 0.0049031800000000, 0.0048645900000000, -0.0003512600000000 ] - [ 0.0004270300000000, 0.0017003300000000, 0.0004899900000000 ] - [ -0.0000716000000000, -0.0004465100000000, 0.0003471100000000 ] - [ 0.0006922800000000, -0.0000823000000000, -0.0007420800000000 ] - [ -0.0106164300000000, 0.0077847400000000, -0.0001646000000000 ] - [ -0.0002347500000000, 0.0014345700000000, 0.0037592300000000 ] - [ 0.0002254000000000, -0.0003327100000000, -0.0005885300000000 ] - [ 0.0003295800000000, 0.0005430000000000, 0.0016997000000000 ] - [ 0.0032384900000000, -0.0005137700000000, 0.0020421600000000 ] - [ 0.0053027300000000, 0.0048860500000000, 0.0137918600000000 ] - [ 0.0020856300000000, -0.0076327300000000, -0.0099385200000000 ] - [ -0.0024974400000000, -0.0030289600000000, -0.0011749800000000 ] - [ -0.0016879500000000, 0.0047789100000000, 0.0037185400000000 ] - [ 0.0004537900000000, -0.0010183100000000, 0.0001436300000000 ] - [ 0.0014076600000000, 0.0000380000000000, 0.0014947100000000 ] - [ -0.0004948500000000, 0.0003319700000000, -0.0012474000000000 ] - [ 0.0116664800000000, -0.0047581600000000, 0.0034346900000000 ] - [ -0.0031738300000000, -0.0007729500000000, 0.0010560200000000 ] - [ -0.0000534000000000, -0.0006576900000000, 0.0003299200000000 ] - [ 0.0011677200000000, -0.0005099300000000, -0.0006793600000000 ] - [ 0.0007698400000000, 0.0007852000000000, 0.0015320900000000 ] - [ -0.0024499000000000, -0.0001610000000000, 0.0016686100000000 ] - [ -0.0007302000000000, -0.0001642700000000, 0.0025638300000000 ] - [ 0.0004155000000000, -0.0002852600000000, -0.0014824600000000 ] - [ -0.0004418000000000, 0.0001933500000000, 0.0027697900000000 ] - [ 0.0023083400000000, -0.0010051200000000, -0.0022152600000000 ] - [ 0.0006435700000000, 0.0010502700000000, 0.0006652900000000 ] - [ -0.0004324100000000, 0.0000371000000000, -0.0003311300000000 ] - [ -0.0014906200000000, 0.0007148000000000, 0.0010190500000000 ] - [ 0.0004563800000000, -0.0036314100000000, 0.0058440400000000 ] - [ 0.0004026900000000, 0.0007031800000000, -0.0010542100000000 ] - [ -0.0008011300000000, -0.0001255400000000, -0.0008853900000000 ] - [ 0.0003755700000000, 0.0004321800000000, 0.0003508100000000 ] - [ 0.0125609900000000, 0.0255519200000000, 0.0100895400000000 ] - [ -0.0002308900000000, 0.0007099000000000, 0.0009629100000000 ] - [ -0.0002562500000000, -0.0001761000000000, -0.0013820200000000 ] - [ -0.0006952300000000, 0.0008347400000000, -0.0005932600000000 ] - [ 0.0019084800000000, 0.0028797400000000, 0.0045469100000000 ] - [ 0.0048647200000000, 0.0095304100000000, -0.0099580600000000 ] - [ 0.0007450000000000, 0.0003567300000000, 0.0002744500000000 ] - [ -0.0079605600000000, -0.0082300400000000, 0.0097096200000000 ] - [ -0.0204848200000000, 0.0244559000000000, 0.0271577200000000 ] - [ 0.0009617300000000, 0.0004946500000000, -0.0008541000000000 ] - [ 0.0006476200000000, 0.0018826000000000, -0.0007649800000000 ] - [ -0.0007318900000000, -0.0004354400000000, -0.0005230700000000 ] - [ -0.0014949100000000, -0.0003105800000000, -0.0005010900000000 ] - [ -0.0005573100000000, -0.0002706700000000, 0.0002975300000000 ] - [ 0.0010368600000000, -0.0028965400000000, 0.0036326100000000 ] - [ 0.0005512100000000, -0.0017255200000000, 0.0015142700000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0014480600000000, -0.0025571300000000, -0.0000964900000000 ] - [ 0.0009697600000000, -0.0006573500000000, 0.0010428500000000 ] - [ -0.0013820400000000, 0.0010918800000000, -0.0003867800000000 ] - [ -0.0007561300000000, 0.0015510900000000, 0.0009434900000000 ] - [ 0.0008557100000000, 0.0031953000000000, -0.0034948300000000 ] - [ -0.0062527700000000, -0.0075990700000000, 0.0188424600000000 ] - [ -0.0001560900000000, 0.0007484600000000, 0.0012649500000000 ] - [ 0.0004140500000000, -0.0005716700000000, -0.0032636900000000 ] - [ -0.0093785700000000, -0.0176660400000000, -0.0387305000000000 ] - [ -0.0014678400000000, 0.0000669400000000, 0.0026986500000000 ] - [ 0.0002316600000000, 0.0016163500000000, -0.0001488400000000 ] - [ -0.0016220100000000, 0.0043243800000000, 0.0026513900000000 ] - [ 0.0015966200000000, 0.0015741900000000, 0.0004900700000000 ] - [ 0.0006679000000000, -0.0002627800000000, -0.0014662600000000 ] - [ -0.0000487400000000, 0.0004578500000000, 0.0012650400000000 ] - [ 0.0161329300000000, -0.0730739400000000, -0.0816340500000000 ] - [ -0.0022838100000000, -0.0009083900000000, -0.0021567700000000 ] - [ 0.0066153300000000, 0.0079854200000000, 0.0117528500000000 ] - [ 0.0030238900000000, -0.0014200600000000, 0.0026002700000000 ] - [ 0.0033869400000000, 0.0059877300000000, -0.0094707900000000 ] - [ -0.0021530200000000, -0.0041743200000000, -0.0029914500000000 ] - [ -0.0093146800000000, -0.0079710900000000, 0.0052800700000000 ] - [ 0.0029951200000000, 0.0006335600000000, 0.0060051600000000 ] - [ 0.0048934100000000, -0.0023017300000000, 0.0099478800000000 ] - [ -0.0002571200000000, 0.0000769900000000, -0.0006053300000000 ] - [ 0.0001350100000000, 0.0002568000000000, 0.0002989600000000 ] - [ 0.0031245400000000, 0.0021188600000000, 0.0006792300000000 ] - [ 0.0014505100000000, -0.0005702600000000, 0.0009636100000000 ] - [ -0.0091931000000000, 0.1449668800000000, 0.1439392000000000 ] - [ 0.0017460200000000, -0.0010981500000000, 0.0045514400000000 ] - [ -0.0004349200000000, -0.0015128600000000, 0.0003121900000000 ] - [ -0.0041113600000000, -0.0040999400000000, -0.0000978600000000 ] - [ -0.0006235500000000, -0.0005146300000000, -0.0003665400000000 ] - [ 0.0000727900000000, -0.0004025800000000, -0.0007958900000000 ] - [ -0.0009673900000000, -0.0004158000000000, -0.0004403300000000 ] - [ 0.0119652200000000, -0.0057667000000000, -0.0002979900000000 ] - [ 0.0001347900000000, -0.0016605400000000, -0.0038640400000000 ] - [ 0.0010952800000000, 0.0003617800000000, -0.0006622800000000 ] - [ -0.0003294800000000, 0.0003051800000000, -0.0012466300000000 ] - [ -0.0029300500000000, 0.0010129100000000, -0.0031980000000000 ] - [ -0.0039577700000000, -0.0048164700000000, -0.0124504400000000 ] - [ -0.0021363400000000, 0.0083040200000000, 0.0096548500000000 ] - [ 0.0032762000000000, 0.0037521000000000, 0.0016196800000000 ] - [ 0.0008896700000000, -0.0039902100000000, -0.0032336300000000 ] - [ 0.0010331500000000, -0.0009193100000000, -0.0006150500000000 ] - [ -0.0010918600000000, -0.0005230000000000, -0.0003175300000000 ] - [ 0.0003841400000000, -0.0005556800000000, 0.0013667000000000 ] - [ -0.0116925800000000, 0.0035302700000000, -0.0032963300000000 ] - [ 0.0016287500000000, -0.0011353800000000, -0.0015218600000000 ] - [ 0.0003125500000000, -0.0004905000000000, -0.0004418800000000 ] - [ 0.0001529200000000, 0.0004905200000000, -0.0005456100000000 ] - [ -0.0008592200000000, -0.0005203700000000, -0.0013665400000000 ] - [ 0.0031919100000000, -0.0005750100000000, -0.0020964200000000 ] - [ -0.0005728800000000, 0.0001747300000000, -0.0013613700000000 ] - [ -0.0004050000000000, 0.0011076200000000, 0.0009955200000000 ] - [ 0.0007024300000000, 0.0009416200000000, -0.0026639400000000 ] - [ -0.0019909400000000, 0.0014983400000000, 0.0033653400000000 ] - [ 0.0009030100000000, 0.0008625700000000, -0.0001963800000000 ] - [ -0.0008882700000000, -0.0000621700000000, -0.0009072000000000 ] - [ -0.0000686100000000, 0.0011900000000000, -0.0005426900000000 ] - [ -0.0004431500000000, 0.0044390000000000, -0.0053406800000000 ] - [ -0.0002988900000000, -0.0009411900000000, 0.0011832100000000 ] - [ 0.0000424900000000, 0.0008335000000000, 0.0004475400000000 ] - [ -0.0011456300000000, -0.0011598000000000, -0.0007961700000000 ] - [ -0.0128627300000000, -0.0250741700000000, -0.0087261200000000 ] - [ 0.0003293500000000, -0.0004631400000000, -0.0008165000000000 ] - [ 0.0002541100000000, 0.0010201200000000, 0.0009178900000000 ] - [ -0.0008425100000000, 0.0010863200000000, 0.0001106200000000 ] - [ -0.0018015400000000, -0.0031148800000000, -0.0046773700000000 ] - [ -0.0049193600000000, -0.0091992500000000, 0.0097025000000000 ] - [ 0.0000187000000000, -0.0010585700000000, 0.0001542000000000 ] - [ 0.0070657400000000, 0.0073659600000000, -0.0091036900000000 ] - [ 0.0194750600000000, -0.0248251400000000, -0.0260851700000000 ] - [ -0.0011780900000000, 0.0006641000000000, 0.0007308900000000 ] - [ -0.0006386600000000, -0.0026529300000000, 0.0012399300000000 ] - [ 0.0004500700000000, 0.0009336400000000, -0.0006640200000000 ] - [ -0.0000350800000000, -0.0016034400000000, 0.0009642900000000 ] - [ 0.0003002000000000, -0.0008769400000000, -0.0004112300000000 ] - [ -0.0013217200000000, 0.0023714400000000, -0.0024347300000000 ] - [ -0.0005525000000000, 0.0008641600000000, -0.0019550400000000 ]- atom: 32 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0016072700000000, -0.0014352900000000, -0.0009242300000000 ] - [ -0.0008010600000000, 0.0002195300000000, 0.0001515600000000 ] - [ -0.0030015200000000, 0.0006245800000000, -0.0010828200000000 ] - [ 0.0010584700000000, 0.0001414400000000, 0.0007663700000000 ] - [ 0.0156127200000000, 0.0048326900000000, -0.0038373800000000 ] - [ -0.0037023800000000, -0.0029785500000000, 0.0025094400000000 ] - [ -0.0006136400000000, 0.0012887000000000, -0.0006154900000000 ] - [ -0.0007221700000000, 0.0021192800000000, -0.0018765300000000 ] - [ 0.0008942500000000, -0.0024824300000000, -0.0017866300000000 ] - [ 0.0021694800000000, -0.0025770900000000, 0.0003534500000000 ] - [ -0.0029170900000000, 0.0024129900000000, -0.0011769700000000 ] - [ -0.0067376500000000, 0.0151947900000000, 0.0082348800000000 ] - [ -0.0034443500000000, 0.0006039200000000, 0.0016984500000000 ] - [ -0.0028819300000000, -0.0039922000000000, 0.0056766000000000 ] - [ -0.0062377800000000, -0.0018470600000000, -0.0076203700000000 ] - [ -0.0181329200000000, -0.0055422500000000, -0.0090205600000000 ] - [ 0.0012333800000000, 0.0078404400000000, 0.0054808100000000 ] - [ 0.2541758200000000, 0.1395964000000000, -0.1074057000000000 ] - [ 0.0156293100000000, -0.0013839000000000, -0.0000078100000000 ] - [ -0.0039722000000000, 0.0010307600000000, -0.0019477900000000 ] - [ -0.0047872700000000, -0.0017017800000000, 0.0002011300000000 ] - [ 0.0033988000000000, 0.0004416500000000, 0.0021080000000000 ] - [ 0.0005252700000000, -0.0023179100000000, 0.0037125200000000 ] - [ -0.0022532000000000, 0.0002080200000000, 0.0021885400000000 ] - [ -0.0011413600000000, 0.0011268500000000, -0.0031890100000000 ] - [ 0.0101942800000000, 0.0014894700000000, -0.0021822900000000 ] - [ -0.0028760900000000, -0.0026075600000000, -0.0025229800000000 ] - [ 0.0019644800000000, -0.0009160400000000, 0.0003453300000000 ] - [ 0.0023265100000000, 0.0050663400000000, 0.0047681500000000 ] - [ 0.0022576800000000, -0.0015617600000000, 0.0035852300000000 ] - [ -0.0005695100000000, -0.0011194400000000, 0.0002499700000000 ] - [ -0.3098295900000000, -0.1899617600000000, 0.1396133100000000 ] - [ 0.0032397500000000, 0.0005155600000000, -0.0000274100000000 ] - [ 0.0012207200000000, -0.0012201400000000, 0.0026269800000000 ] - [ 0.0022624100000000, -0.0009247700000000, -0.0025206200000000 ] - [ -0.0010350500000000, 0.0021004900000000, -0.0003767700000000 ] - [ 0.0013431200000000, -0.0022315100000000, -0.0022107100000000 ] - [ 0.0014125200000000, -0.0008061100000000, -0.0029600200000000 ] - [ 0.0001616700000000, 0.0018010500000000, -0.0025826700000000 ] - [ -0.0106108400000000, 0.0085182600000000, -0.0080940800000000 ] - [ 0.0006964000000000, 0.0000205900000000, 0.0000503700000000 ] - [ 0.0034814400000000, -0.0019986000000000, 0.0040530900000000 ] - [ 0.0025790500000000, 0.0019161900000000, 0.0011068300000000 ] - [ 0.0310220500000000, -0.0003117100000000, -0.0238388800000000 ] - [ -0.0022625200000000, -0.0032940200000000, -0.0004806700000000 ] - [ 0.0020400400000000, 0.0004595200000000, -0.0005967900000000 ] - [ 0.0001869600000000, -0.0030297900000000, -0.0009390900000000 ] - [ 0.0005593600000000, -0.0006250900000000, 0.0002826200000000 ] - [ 0.0007944100000000, -0.0014384700000000, -0.0002882400000000 ] - [ 0.0003479200000000, -0.0003343000000000, -0.0001734400000000 ] - [ -0.0007896200000000, -0.0034909900000000, 0.0030203200000000 ] - [ -0.0026657200000000, -0.0015332800000000, -0.0010971000000000 ] - [ -0.0007403800000000, 0.0000900900000000, -0.0003553800000000 ] - [ -0.0001230100000000, 0.0001166200000000, -0.0006769800000000 ] - [ 0.0006683100000000, 0.0020511700000000, -0.0006193100000000 ] - [ 0.0003641300000000, 0.0010283500000000, -0.0001276600000000 ] - [ 0.0025699200000000, -0.0001985300000000, 0.0002643800000000 ] - [ 0.0019191100000000, 0.0003698200000000, 0.0001446800000000 ] - [ 0.0034335000000000, 0.0041831600000000, 0.0079119700000000 ] - [ -0.0018055200000000, 0.0006842900000000, 0.0000967400000000 ] - [ 0.0005213000000000, 0.0006378600000000, -0.0005074900000000 ] - [ 0.0038607300000000, 0.0073615800000000, -0.0068569300000000 ] - [ 0.0011750600000000, 0.0002994200000000, 0.0002638800000000 ] - [ 0.0006992100000000, -0.0000581700000000, -0.0002368800000000 ] - [ 0.0258559000000000, 0.0235088100000000, 0.0065480700000000 ] - [ -0.0000690200000000, 0.0021574900000000, 0.0028586900000000 ] - [ -0.0007041200000000, -0.0060098000000000, -0.0077595200000000 ] - [ 0.0010756600000000, 0.0013204500000000, -0.0003061500000000 ] - [ 0.0004767000000000, 0.0007459700000000, -0.0012620000000000 ] - [ 0.0003938700000000, 0.0001690800000000, 0.0003418700000000 ] - [ 0.0018263400000000, -0.0012624500000000, 0.0005092600000000 ] - [ -0.0015542700000000, -0.0008118100000000, 0.0004627600000000 ] - [ 0.0040206600000000, 0.0023054100000000, -0.0011834000000000 ] - [ -0.0015270100000000, 0.0007087700000000, 0.0002421400000000 ] - [ 0.0011599700000000, -0.0006471600000000, 0.0006769500000000 ] - [ 0.0027978000000000, 0.0016430200000000, -0.0008278800000000 ] - [ -0.0135552500000000, 0.0016505800000000, 0.0017424300000000 ] - [ -0.0007916800000000, -0.0005372600000000, -0.0002374600000000 ] - [ -0.0018817200000000, 0.0008132000000000, -0.0009783300000000 ] - [ -0.0024762700000000, 0.0017743200000000, -0.0015293800000000 ]- atom: 32 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015973700000000, 0.0010069400000000, 0.0009227300000000 ] - [ 0.0007930200000000, 0.0002124200000000, -0.0001524300000000 ] - [ 0.0029900100000000, -0.0010662100000000, 0.0010822500000000 ] - [ -0.0010499900000000, 0.0002927000000000, -0.0007665600000000 ] - [ -0.0156464300000000, -0.0048217900000000, 0.0029244400000000 ] - [ 0.0038886100000000, 0.0033232300000000, -0.0013662200000000 ] - [ 0.0003898800000000, -0.0016619600000000, -0.0005495400000000 ] - [ 0.0004856800000000, -0.0017424800000000, 0.0007599200000000 ] - [ -0.0010778300000000, 0.0021447600000000, 0.0029266500000000 ] - [ -0.0019578500000000, 0.0022511000000000, -0.0015164700000000 ] - [ 0.0031058100000000, -0.0027601700000000, 0.0023128800000000 ] - [ 0.0065298500000000, -0.0147519600000000, -0.0070391900000000 ] - [ 0.0034035800000000, -0.0002907100000000, -0.0016991400000000 ] - [ 0.0031382700000000, 0.0037956800000000, -0.0055799900000000 ] - [ 0.0065073500000000, 0.0020569500000000, 0.0077565100000000 ] - [ 0.0183751400000000, 0.0057622900000000, 0.0089174600000000 ] - [ -0.0014870100000000, -0.0080774300000000, -0.0053542300000000 ] - [ -0.2437133300000000, -0.1307320500000000, 0.1006080600000000 ] - [ -0.0160174000000000, 0.0016611600000000, 0.0000407100000000 ] - [ 0.0036738800000000, -0.0008029700000000, 0.0018350500000000 ] - [ 0.0047446500000000, 0.0014052100000000, -0.0001935800000000 ] - [ -0.0033559400000000, -0.0001231100000000, -0.0021079300000000 ] - [ -0.0002351200000000, 0.0020663200000000, -0.0038016500000000 ] - [ 0.0019640200000000, -0.0004118400000000, -0.0022746000000000 ] - [ -0.0001351600000000, -0.0011298000000000, 0.0020162900000000 ] - [ -0.0100475000000000, -0.0003911600000000, 0.0021153400000000 ] - [ 0.0031652500000000, 0.0020900600000000, 0.0013062700000000 ] - [ -0.0003844300000000, -0.0009750100000000, 0.0001208500000000 ] - [ -0.0023256000000000, -0.0058081300000000, -0.0042626600000000 ] - [ -0.0009701900000000, 0.0015442100000000, -0.0023850300000000 ] - [ 0.0008080200000000, -0.0000318800000000, -0.0001387600000000 ] - [ 0.2997396900000000, 0.1813721400000000, -0.1331020500000000 ] - [ -0.0034352400000000, 0.0006534000000000, 0.0001431400000000 ] - [ -0.0012181700000000, 0.0004508900000000, -0.0031304200000000 ] - [ -0.0025531600000000, 0.0004017600000000, 0.0013071000000000 ] - [ 0.0025781300000000, -0.0001980400000000, -0.0000936900000000 ] - [ -0.0014625200000000, 0.0020157400000000, 0.0020989100000000 ] - [ -0.0001321700000000, 0.0008157400000000, 0.0017712100000000 ] - [ -0.0001711600000000, -0.0010020900000000, 0.0030486600000000 ] - [ 0.0107851000000000, -0.0081453600000000, 0.0070121000000000 ] - [ 0.0005747100000000, -0.0000164900000000, 0.0011241400000000 ] - [ -0.0033464000000000, 0.0021867900000000, -0.0041444000000000 ] - [ -0.0018171600000000, -0.0012306400000000, -0.0006817500000000 ] - [ -0.0311323300000000, 0.0010290600000000, 0.0237258300000000 ] - [ 0.0037340800000000, 0.0013530000000000, 0.0000070400000000 ] - [ -0.0017144400000000, -0.0009728100000000, 0.0018043700000000 ] - [ -0.0003164900000000, 0.0028489000000000, 0.0010240800000000 ] - [ -0.0008116100000000, -0.0005229900000000, -0.0001731800000000 ] - [ -0.0023264900000000, -0.0004718200000000, -0.0001812100000000 ] - [ -0.0000874400000000, -0.0008123900000000, 0.0000644600000000 ] - [ 0.0020818100000000, 0.0035059200000000, -0.0042246600000000 ] - [ 0.0025606700000000, 0.0017502500000000, 0.0012277100000000 ] - [ 0.0014655900000000, -0.0007654400000000, -0.0000557700000000 ] - [ -0.0011551900000000, -0.0001007500000000, 0.0018627400000000 ] - [ -0.0006666900000000, -0.0012941000000000, 0.0001149900000000 ] - [ -0.0001341200000000, 0.0001237600000000, 0.0002398000000000 ] - [ -0.0022405100000000, 0.0006982800000000, 0.0009341200000000 ] - [ -0.0003476700000000, 0.0015287500000000, 0.0003266800000000 ] - [ -0.0047287300000000, -0.0042096500000000, -0.0091499300000000 ] - [ 0.0002499800000000, 0.0012142700000000, 0.0003756100000000 ] - [ -0.0005129900000000, 0.0001256500000000, 0.0010063300000000 ] - [ -0.0037302700000000, -0.0075665700000000, 0.0069553100000000 ] - [ -0.0019010800000000, 0.0003639000000000, -0.0006802000000000 ] - [ -0.0014305700000000, -0.0006180500000000, -0.0001789100000000 ] - [ -0.0259878800000000, -0.0226100800000000, -0.0052969800000000 ] - [ 0.0002063300000000, -0.0019784800000000, -0.0027802900000000 ] - [ 0.0007290200000000, 0.0068276400000000, 0.0072795100000000 ] - [ -0.0026051200000000, 0.0005936900000000, -0.0001643400000000 ] - [ -0.0003498100000000, -0.0009274200000000, 0.0011655900000000 ] - [ -0.0005276100000000, 0.0000095100000000, -0.0004226500000000 ] - [ -0.0010698300000000, 0.0005709000000000, -0.0000808800000000 ] - [ 0.0008005500000000, 0.0001213100000000, -0.0000349300000000 ] - [ -0.0052927300000000, -0.0023087800000000, 0.0023554900000000 ] - [ 0.0012582900000000, 0.0004253200000000, -0.0003557400000000 ] - [ -0.0011486600000000, -0.0001152700000000, -0.0001806800000000 ] - [ -0.0030916500000000, -0.0011283700000000, -0.0003919900000000 ] - [ 0.0121424000000000, -0.0035234100000000, -0.0013042600000000 ] - [ 0.0005320700000000, -0.0006058400000000, 0.0001311200000000 ] - [ 0.0015537500000000, -0.0013167800000000, 0.0021852900000000 ] - [ 0.0024918400000000, -0.0025793200000000, 0.0010601700000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0010699600000000, -0.0030002100000000, -0.0010096600000000 ] - [ -0.0003338300000000, 0.0002005700000000, 0.0001387800000000 ] - [ -0.0011972900000000, 0.0013772800000000, -0.0008538700000000 ] - [ 0.0006577700000000, 0.0000672000000000, 0.0008258300000000 ] - [ 0.0083797100000000, 0.0337611300000000, -0.0139195000000000 ] - [ -0.0029189600000000, -0.0022095300000000, 0.0029816200000000 ] - [ 0.0008302700000000, 0.0041876300000000, 0.0013866200000000 ] - [ 0.0032271700000000, -0.0041381800000000, -0.0062703100000000 ] - [ 0.0005754800000000, -0.0036860200000000, -0.0014549600000000 ] - [ 0.0019591000000000, -0.0050179500000000, 0.0023230500000000 ] - [ -0.0015936600000000, 0.0034212900000000, -0.0007235700000000 ] - [ 0.0001247100000000, 0.0046131500000000, 0.0008447500000000 ] - [ -0.0020151800000000, 0.0010138600000000, 0.0016811900000000 ] - [ -0.0030166100000000, -0.0066046100000000, 0.0065199600000000 ] - [ -0.0069854400000000, -0.0009667000000000, -0.0099122300000000 ] - [ -0.0193246900000000, -0.0055313100000000, -0.0088267000000000 ] - [ -0.0006721200000000, 0.0115902100000000, 0.0019648600000000 ] - [ 0.1256753900000000, 0.1338962000000000, -0.0688456400000000 ] - [ 0.0231292200000000, -0.0087014200000000, 0.0107856200000000 ] - [ -0.0012772900000000, 0.0001165400000000, 0.0004247900000000 ] - [ -0.0025308600000000, -0.0035328800000000, 0.0003303500000000 ] - [ 0.0014412200000000, 0.0004593900000000, 0.0016664000000000 ] - [ -0.0002556600000000, 0.0010635100000000, 0.0016052600000000 ] - [ -0.0011151900000000, -0.0013754100000000, 0.0005182500000000 ] - [ -0.0012712600000000, 0.0017606400000000, -0.0038648300000000 ] - [ 0.0121130800000000, -0.0059526300000000, 0.0015970700000000 ] - [ -0.0018029800000000, -0.0026279800000000, -0.0018536000000000 ] - [ 0.0006056200000000, -0.0012089900000000, 0.0005807600000000 ] - [ 0.0024855600000000, 0.0051742100000000, 0.0047298300000000 ] - [ 0.0005826600000000, -0.0002791700000000, 0.0012834800000000 ] - [ -0.0009995100000000, -0.0013652100000000, 0.0000634100000000 ] - [ -0.1877281300000000, -0.2081160600000000, 0.1110588800000000 ] - [ 0.0005427400000000, 0.0004176600000000, 0.0000549200000000 ] - [ 0.0010148800000000, -0.0024020800000000, 0.0031231000000000 ] - [ 0.0019609500000000, -0.0005686900000000, -0.0025659100000000 ] - [ -0.0009498500000000, 0.0023058000000000, -0.0004918200000000 ] - [ 0.0001880400000000, -0.0000670400000000, -0.0002267300000000 ] - [ 0.0014282500000000, -0.0015090400000000, -0.0024224100000000 ] - [ 0.0001390300000000, -0.0003056700000000, 0.0000625400000000 ] - [ 0.0033848100000000, 0.0224782900000000, -0.0295088400000000 ] - [ 0.0007625500000000, 0.0003866000000000, 0.0006458900000000 ] - [ 0.0041563600000000, -0.0027642800000000, 0.0045832500000000 ] - [ 0.0019438900000000, 0.0021382200000000, 0.0009460600000000 ] - [ 0.0001073100000000, -0.0101287300000000, 0.0002313100000000 ] - [ -0.0015751400000000, -0.0019992400000000, 0.0003946000000000 ] - [ 0.0012254900000000, 0.0002866200000000, -0.0001207300000000 ] - [ -0.0001889100000000, -0.0031034400000000, 0.0027795500000000 ] - [ 0.0002326200000000, -0.0004127400000000, 0.0002604000000000 ] - [ -0.0001667800000000, -0.0012385600000000, -0.0003993700000000 ] - [ 0.0001230700000000, -0.0001756600000000, -0.0003653200000000 ] - [ -0.0059725600000000, 0.0046873400000000, 0.0005161100000000 ] - [ -0.0046446000000000, -0.0033610700000000, -0.0050492200000000 ] - [ -0.0000562300000000, -0.0001066100000000, -0.0006862200000000 ] - [ -0.0003141300000000, -0.0003356100000000, -0.0000335900000000 ] - [ 0.0005565700000000, 0.0039021100000000, 0.0004539800000000 ] - [ 0.0009596300000000, 0.0012207800000000, -0.0001397700000000 ] - [ 0.0011896800000000, 0.0006835300000000, 0.0005694500000000 ] - [ 0.0010478800000000, 0.0004590300000000, 0.0000371200000000 ] - [ 0.0049422400000000, 0.0046398000000000, 0.0094900300000000 ] - [ -0.0009160600000000, 0.0013737800000000, 0.0000841100000000 ] - [ 0.0002639100000000, 0.0013334600000000, -0.0005395400000000 ] - [ 0.0051753000000000, 0.0101127600000000, -0.0092151400000000 ] - [ -0.0003415200000000, 0.0020695100000000, -0.0004584600000000 ] - [ -0.0000906500000000, -0.0007476700000000, -0.0006739700000000 ] - [ 0.0388540300000000, 0.0211729100000000, 0.0100305600000000 ] - [ -0.0002004000000000, 0.0027349700000000, 0.0036120400000000 ] - [ -0.0003382900000000, -0.0091760400000000, -0.0080284300000000 ] - [ 0.0003414900000000, 0.0008784500000000, -0.0002898100000000 ] - [ 0.0003310900000000, -0.0005978900000000, -0.0009793500000000 ] - [ 0.0002999300000000, 0.0009379700000000, -0.0005978800000000 ] - [ 0.0012871100000000, -0.0010705100000000, 0.0003324100000000 ] - [ -0.0008374100000000, -0.0004261400000000, 0.0002708700000000 ] - [ 0.0047074900000000, 0.0017148400000000, -0.0020713900000000 ] - [ -0.0009152100000000, 0.0019468400000000, 0.0004638700000000 ] - [ 0.0006188500000000, -0.0008768300000000, -0.0002308100000000 ] - [ 0.0025053100000000, 0.0018513600000000, -0.0006165800000000 ] - [ -0.0073375100000000, 0.0091034700000000, -0.0036389700000000 ] - [ 0.0000503300000000, -0.0011439400000000, -0.0003822800000000 ] - [ -0.0004635200000000, -0.0001654400000000, -0.0003562400000000 ] - [ -0.0028503200000000, 0.0054583200000000, -0.0046292800000000 ]- atom: 32 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010804500000000, 0.0025797100000000, 0.0010229900000000 ] - [ 0.0003346500000000, 0.0002344100000000, -0.0001406600000000 ] - [ 0.0012098400000000, -0.0018214400000000, 0.0008653200000000 ] - [ -0.0006627000000000, 0.0003643600000000, -0.0008371400000000 ] - [ -0.0089997300000000, -0.0345451000000000, 0.0136554700000000 ] - [ 0.0031283000000000, 0.0025868300000000, -0.0018415700000000 ] - [ -0.0010436100000000, -0.0045576700000000, -0.0025513300000000 ] - [ -0.0034395700000000, 0.0045204500000000, 0.0051593300000000 ] - [ -0.0007836800000000, 0.0033580000000000, 0.0026059100000000 ] - [ -0.0017613500000000, 0.0046986900000000, -0.0034787100000000 ] - [ 0.0018085500000000, -0.0037795400000000, 0.0018695700000000 ] - [ -0.0002357300000000, -0.0044453700000000, 0.0002062900000000 ] - [ 0.0020161000000000, -0.0007104300000000, -0.0017054700000000 ] - [ 0.0033111000000000, 0.0064524300000000, -0.0064820200000000 ] - [ 0.0073211500000000, 0.0011686100000000, 0.0101225000000000 ] - [ 0.0196890300000000, 0.0057849900000000, 0.0087914800000000 ] - [ 0.0004134300000000, -0.0118879400000000, -0.0018702000000000 ] - [ -0.1201131500000000, -0.1323608000000000, 0.0659877400000000 ] - [ -0.0234101600000000, 0.0089657200000000, -0.0107255400000000 ] - [ 0.0010316900000000, 0.0000895100000000, -0.0004915700000000 ] - [ 0.0025446600000000, 0.0032435700000000, -0.0003263400000000 ] - [ -0.0014378400000000, -0.0001358600000000, -0.0016849000000000 ] - [ 0.0005335900000000, -0.0012519000000000, -0.0017477500000000 ] - [ 0.0008550300000000, 0.0011521000000000, -0.0006481400000000 ] - [ 0.0000033800000000, -0.0017751500000000, 0.0027253600000000 ] - [ -0.0120193200000000, 0.0072061000000000, -0.0017380600000000 ] - [ 0.0021104600000000, 0.0021328800000000, 0.0006573400000000 ] - [ 0.0009769600000000, -0.0006770100000000, -0.0001162000000000 ] - [ -0.0024992600000000, -0.0059393300000000, -0.0042469900000000 ] - [ 0.0006698800000000, 0.0002932700000000, -0.0001576800000000 ] - [ 0.0012733100000000, 0.0002312100000000, 0.0000447900000000 ] - [ 0.1835015800000000, 0.2079592800000000, -0.1093426200000000 ] - [ -0.0008152400000000, 0.0007407700000000, 0.0000610700000000 ] - [ -0.0010227300000000, 0.0016570300000000, -0.0036463500000000 ] - [ -0.0022745300000000, 0.0000591900000000, 0.0013779200000000 ] - [ 0.0025217000000000, -0.0004186200000000, 0.0000249400000000 ] - [ -0.0003398800000000, -0.0000894300000000, 0.0001723800000000 ] - [ -0.0001601100000000, 0.0015236100000000, 0.0012607400000000 ] - [ -0.0001491000000000, 0.0010515800000000, 0.0004709600000000 ] - [ -0.0029111200000000, -0.0217632100000000, 0.0278322800000000 ] - [ 0.0005023600000000, -0.0003799500000000, 0.0005283500000000 ] - [ -0.0040239400000000, 0.0029473700000000, -0.0046795700000000 ] - [ -0.0012164400000000, -0.0014767200000000, -0.0005384900000000 ] - [ -0.0012190800000000, 0.0107901300000000, 0.0004088100000000 ] - [ 0.0031321800000000, 0.0001138100000000, -0.0008633600000000 ] - [ -0.0009299600000000, -0.0008007300000000, 0.0013377000000000 ] - [ 0.0000484900000000, 0.0029435500000000, -0.0027114800000000 ] - [ -0.0004970300000000, -0.0007310300000000, -0.0001521300000000 ] - [ -0.0013904700000000, -0.0006638500000000, -0.0000691600000000 ] - [ 0.0001589200000000, -0.0009602300000000, 0.0002584000000000 ] - [ 0.0072350100000000, -0.0046875900000000, -0.0017138800000000 ] - [ 0.0045226500000000, 0.0035539700000000, 0.0051617600000000 ] - [ 0.0007887800000000, -0.0005698000000000, 0.0002770700000000 ] - [ -0.0009650700000000, 0.0003441100000000, 0.0012287500000000 ] - [ -0.0005629700000000, -0.0031733300000000, -0.0009629400000000 ] - [ -0.0007117700000000, -0.0000751100000000, 0.0002512700000000 ] - [ -0.0008949400000000, -0.0001791600000000, 0.0006262700000000 ] - [ 0.0005257800000000, 0.0014357500000000, 0.0004330800000000 ] - [ -0.0062788700000000, -0.0047039700000000, -0.0107939400000000 ] - [ -0.0006506800000000, 0.0005189200000000, 0.0003878300000000 ] - [ -0.0002638200000000, -0.0005709300000000, 0.0010529300000000 ] - [ -0.0050766300000000, -0.0103781900000000, 0.0093668800000000 ] - [ -0.0003909300000000, -0.0014104500000000, 0.0000427800000000 ] - [ -0.0006424900000000, 0.0000744100000000, 0.0002644700000000 ] - [ -0.0388218500000000, -0.0205383300000000, -0.0087458000000000 ] - [ 0.0003387000000000, -0.0025735500000000, -0.0035620200000000 ] - [ 0.0003668900000000, 0.0100448400000000, 0.0075750900000000 ] - [ -0.0019172800000000, 0.0010150300000000, -0.0001781100000000 ] - [ -0.0002018400000000, 0.0004048200000000, 0.0009051200000000 ] - [ -0.0004417400000000, -0.0007631300000000, 0.0005152700000000 ] - [ -0.0005562700000000, 0.0003960900000000, 0.0000874500000000 ] - [ 0.0001101800000000, -0.0002483900000000, 0.0001463200000000 ] - [ -0.0059831800000000, -0.0017299300000000, 0.0032234800000000 ] - [ 0.0006285100000000, -0.0008255200000000, -0.0005750900000000 ] - [ -0.0006203500000000, 0.0001193900000000, 0.0007181100000000 ] - [ -0.0028265000000000, -0.0013509700000000, -0.0005988200000000 ] - [ 0.0059173700000000, -0.0112182100000000, 0.0042188500000000 ] - [ -0.0003135100000000, 0.0000033400000000, 0.0002770400000000 ] - [ 0.0001682800000000, -0.0003529200000000, 0.0015740400000000 ] - [ 0.0028583900000000, -0.0062390700000000, 0.0041425200000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006253000000000, 0.0007026300000000, 0.0012426200000000 ] - [ 0.0002378000000000, 0.0002110600000000, -0.0004274600000000 ] - [ 0.0008291500000000, -0.0007551600000000, 0.0010940700000000 ] - [ -0.0004872400000000, 0.0004051400000000, -0.0011167800000000 ] - [ -0.0050978400000000, -0.0133454000000000, 0.0151937200000000 ] - [ 0.0022498300000000, 0.0013902700000000, 0.0010764200000000 ] - [ -0.0016067900000000, -0.0023970600000000, -0.0051978600000000 ] - [ 0.0003790500000000, -0.0000731500000000, 0.0048989400000000 ] - [ -0.0010597600000000, 0.0002136000000000, 0.0001300400000000 ] - [ -0.0011105100000000, 0.0025571500000000, -0.0040173200000000 ] - [ 0.0000179500000000, -0.0009546400000000, 0.0000238400000000 ] - [ 0.0051452800000000, -0.0085081700000000, -0.0034084400000000 ] - [ 0.0010710000000000, -0.0003014600000000, -0.0019148500000000 ] - [ 0.0021356700000000, 0.0033744100000000, -0.0048255600000000 ] - [ 0.0031412300000000, -0.0009115400000000, 0.0054099300000000 ] - [ -0.0015805800000000, 0.0011549900000000, 0.0013235300000000 ] - [ 0.0016423500000000, -0.0089471300000000, -0.0071392400000000 ] - [ -0.0956986300000000, -0.0649122200000000, 0.1023092600000000 ] - [ -0.0217932200000000, 0.0094203900000000, -0.0057716300000000 ] - [ 0.0015318800000000, -0.0000137700000000, 0.0021073000000000 ] - [ 0.0016516900000000, 0.0008547300000000, 0.0006612900000000 ] - [ -0.0012815800000000, -0.0006753000000000, -0.0038912900000000 ] - [ 0.0007937400000000, 0.0012057900000000, -0.0033467900000000 ] - [ 0.0007829200000000, -0.0004041700000000, -0.0021110500000000 ] - [ -0.0000618900000000, -0.0011769000000000, 0.0021539400000000 ] - [ -0.0078081300000000, 0.0036221700000000, -0.0014761600000000 ] - [ 0.0020263300000000, 0.0020698600000000, 0.0018346900000000 ] - [ 0.0006259700000000, -0.0008109700000000, -0.0001818600000000 ] - [ 0.0003954900000000, -0.0004131100000000, 0.0000949500000000 ] - [ -0.0003077800000000, 0.0009711800000000, -0.0018987800000000 ] - [ 0.0012275700000000, -0.0002144600000000, 0.0003395800000000 ] - [ 0.1356245100000000, 0.1098117300000000, -0.1291827100000000 ] - [ -0.0021204100000000, 0.0006845500000000, 0.0001692700000000 ] - [ -0.0001533400000000, 0.0012425600000000, -0.0016400500000000 ] - [ -0.0016223100000000, 0.0001679500000000, 0.0009671800000000 ] - [ 0.0016690600000000, 0.0003639700000000, 0.0000261400000000 ] - [ -0.0009621600000000, 0.0013707200000000, 0.0015275800000000 ] - [ -0.0008484300000000, 0.0006016300000000, 0.0032001400000000 ] - [ -0.0003468100000000, -0.0005823700000000, 0.0021270500000000 ] - [ -0.0031670900000000, -0.0286043200000000, 0.0156068000000000 ] - [ 0.0008535400000000, 0.0002069600000000, 0.0016360300000000 ] - [ -0.0000295600000000, 0.0004919700000000, -0.0008604400000000 ] - [ -0.0005216500000000, -0.0003964000000000, -0.0003865400000000 ] - [ -0.0240702900000000, 0.0004421200000000, 0.0023739000000000 ] - [ 0.0012820300000000, 0.0003972700000000, -0.0001910800000000 ] - [ -0.0007463700000000, -0.0006630500000000, 0.0015393900000000 ] - [ -0.0017552500000000, 0.0036946300000000, 0.0004908400000000 ] - [ -0.0001435400000000, -0.0006238400000000, 0.0001316900000000 ] - [ -0.0009953600000000, -0.0009111300000000, -0.0003447400000000 ] - [ 0.0003493800000000, -0.0007063500000000, 0.0003466000000000 ] - [ 0.0055924700000000, -0.0030984600000000, -0.0048773100000000 ] - [ 0.0038639300000000, 0.0017504400000000, 0.0041127600000000 ] - [ 0.0002244800000000, 0.0001321100000000, 0.0009996300000000 ] - [ -0.0012786600000000, 0.0001303800000000, 0.0022911400000000 ] - [ -0.0004055700000000, -0.0011432800000000, -0.0001875200000000 ] - [ -0.0007803800000000, 0.0003659300000000, 0.0000148000000000 ] - [ -0.0007069700000000, 0.0001382200000000, 0.0002767700000000 ] - [ 0.0007858300000000, 0.0011036900000000, 0.0005947700000000 ] - [ -0.0026843600000000, -0.0014076400000000, -0.0083066600000000 ] - [ -0.0006345700000000, 0.0007976600000000, 0.0005512000000000 ] - [ -0.0002141300000000, 0.0002176300000000, 0.0008225800000000 ] - [ -0.0030090400000000, -0.0061758300000000, 0.0060214400000000 ] - [ -0.0008408400000000, 0.0000928600000000, -0.0006651400000000 ] - [ -0.0003446900000000, 0.0001187400000000, 0.0005383700000000 ] - [ 0.0086207000000000, 0.0082232200000000, -0.0048140200000000 ] - [ 0.0001626700000000, -0.0009753000000000, -0.0017479200000000 ] - [ -0.0026853300000000, 0.0043907500000000, 0.0092521300000000 ] - [ -0.0014226900000000, 0.0008886200000000, -0.0000511400000000 ] - [ -0.0004987400000000, -0.0006350700000000, 0.0007909300000000 ] - [ -0.0000605300000000, 0.0003097100000000, -0.0006340200000000 ] - [ 0.0000765300000000, -0.0002263600000000, 0.0005237600000000 ] - [ -0.0001174100000000, -0.0002846500000000, 0.0008482400000000 ] - [ 0.0000486100000000, -0.0005604800000000, -0.0010467400000000 ] - [ -0.0000025200000000, 0.0002236900000000, -0.0006139000000000 ] - [ -0.0004797600000000, -0.0006449500000000, -0.0004269700000000 ] - [ -0.0011775100000000, -0.0000910800000000, -0.0009968100000000 ] - [ 0.0045354000000000, -0.0071984800000000, -0.0003677600000000 ] - [ 0.0001467600000000, -0.0003276400000000, 0.0008327600000000 ] - [ 0.0006427500000000, -0.0009989400000000, 0.0023252600000000 ] - [ 0.0029819700000000, -0.0054428500000000, 0.0032333000000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006232000000000, -0.0011265100000000, -0.0012391900000000 ] - [ -0.0002367000000000, 0.0002208300000000, 0.0004293400000000 ] - [ -0.0008245300000000, 0.0003142700000000, -0.0010896900000000 ] - [ 0.0004834600000000, 0.0000292700000000, 0.0011135800000000 ] - [ 0.0050910900000000, 0.0133478600000000, -0.0162612400000000 ] - [ -0.0020448800000000, -0.0010257800000000, 0.0000461800000000 ] - [ 0.0014150000000000, 0.0020421400000000, 0.0040476100000000 ] - [ -0.0005940800000000, 0.0004290300000000, -0.0060123400000000 ] - [ 0.0008589600000000, -0.0005352800000000, 0.0010355000000000 ] - [ 0.0013208800000000, -0.0028891600000000, 0.0028742300000000 ] - [ 0.0001868600000000, 0.0005886000000000, 0.0011303200000000 ] - [ -0.0053274600000000, 0.0088019600000000, 0.0045277000000000 ] - [ -0.0010764600000000, 0.0006131600000000, 0.0019087200000000 ] - [ -0.0018575600000000, -0.0035561700000000, 0.0049034800000000 ] - [ -0.0028607600000000, 0.0011263300000000, -0.0052871600000000 ] - [ 0.0020070900000000, -0.0008962200000000, -0.0013530500000000 ] - [ -0.0018920600000000, 0.0086143300000000, 0.0072189300000000 ] - [ 0.0978472900000000, 0.0660811200000000, -0.1017945400000000 ] - [ 0.0215548300000000, -0.0092069800000000, 0.0058441400000000 ] - [ -0.0018014000000000, 0.0002320100000000, -0.0022023100000000 ] - [ -0.0016570000000000, -0.0011504900000000, -0.0006562700000000 ] - [ 0.0012809100000000, 0.0009844300000000, 0.0038857000000000 ] - [ -0.0005234600000000, -0.0014265700000000, 0.0032336100000000 ] - [ -0.0010525000000000, 0.0001938100000000, 0.0020072700000000 ] - [ -0.0012139500000000, 0.0011706300000000, -0.0033178400000000 ] - [ 0.0079736600000000, -0.0024400300000000, 0.0013461100000000 ] - [ -0.0017205700000000, -0.0025660200000000, -0.0030317500000000 ] - [ 0.0009407600000000, -0.0010832200000000, 0.0006489400000000 ] - [ -0.0004238600000000, -0.0003838200000000, 0.0003682000000000 ] - [ 0.0015779800000000, -0.0009747400000000, 0.0030647400000000 ] - [ -0.0009573600000000, -0.0009221600000000, -0.0002313100000000 ] - [ -0.1369998900000000, -0.1105828700000000, 0.1281270100000000 ] - [ 0.0018894500000000, 0.0004797300000000, -0.0000539300000000 ] - [ 0.0001496600000000, -0.0020165300000000, 0.0011402600000000 ] - [ 0.0013222300000000, -0.0006823500000000, -0.0021674400000000 ] - [ -0.0001102800000000, 0.0015299900000000, -0.0004963700000000 ] - [ 0.0008264500000000, -0.0015580300000000, -0.0016099200000000 ] - [ 0.0021168300000000, -0.0005795900000000, -0.0043641700000000 ] - [ 0.0003405000000000, 0.0013548300000000, -0.0016242700000000 ] - [ 0.0035902000000000, 0.0296133000000000, -0.0169934500000000 ] - [ 0.0004112800000000, -0.0002033700000000, -0.0004679500000000 ] - [ 0.0001359300000000, -0.0002877100000000, 0.0007377400000000 ] - [ 0.0012609100000000, 0.0010686800000000, 0.0008027500000000 ] - [ 0.0234978200000000, 0.0002416500000000, -0.0018191500000000 ] - [ 0.0002483200000000, -0.0023101300000000, -0.0002771400000000 ] - [ 0.0010478200000000, 0.0001497500000000, -0.0003307700000000 ] - [ 0.0016079900000000, -0.0038462700000000, -0.0004141600000000 ] - [ -0.0001136600000000, -0.0005239500000000, -0.0000238700000000 ] - [ -0.0005557200000000, -0.0009929600000000, -0.0001219500000000 ] - [ -0.0000794100000000, -0.0004337900000000, -0.0004552100000000 ] - [ -0.0043127400000000, 0.0030862400000000, 0.0037161500000000 ] - [ -0.0039925900000000, -0.0015442900000000, -0.0040087500000000 ] - [ 0.0005100900000000, -0.0008082000000000, -0.0014119300000000 ] - [ 0.0000037700000000, -0.0001193300000000, -0.0011077500000000 ] - [ 0.0004031500000000, 0.0018955600000000, -0.0003166000000000 ] - [ 0.0010234300000000, 0.0007830400000000, 0.0000992100000000 ] - [ 0.0010125900000000, 0.0003633100000000, 0.0009193000000000 ] - [ 0.0007816100000000, 0.0007940300000000, -0.0001246000000000 ] - [ 0.0014044300000000, 0.0013972600000000, 0.0070857700000000 ] - [ -0.0009266000000000, 0.0010987600000000, -0.0000799600000000 ] - [ 0.0002166600000000, 0.0005470500000000, -0.0003161700000000 ] - [ 0.0031362700000000, 0.0059680300000000, -0.0059127000000000 ] - [ 0.0001095100000000, 0.0005748800000000, 0.0002481900000000 ] - [ -0.0003926300000000, -0.0008004000000000, -0.0009538100000000 ] - [ -0.0091100600000000, -0.0078118900000000, 0.0059636000000000 ] - [ -0.0000271100000000, 0.0011528200000000, 0.0018259600000000 ] - [ 0.0026351100000000, -0.0035920000000000, -0.0095772100000000 ] - [ -0.0001374600000000, 0.0010128000000000, -0.0004196400000000 ] - [ 0.0006299300000000, 0.0004489100000000, -0.0008725200000000 ] - [ -0.0000796800000000, -0.0001371600000000, 0.0005576200000000 ] - [ 0.0006580100000000, -0.0004523300000000, -0.0001045700000000 ] - [ -0.0006097400000000, -0.0003887700000000, -0.0004327100000000 ] - [ -0.0013609400000000, 0.0005418200000000, 0.0022390600000000 ] - [ -0.0002599600000000, 0.0009125200000000, 0.0005015700000000 ] - [ 0.0004848000000000, -0.0001137000000000, 0.0009230200000000 ] - [ 0.0008752600000000, 0.0005954100000000, -0.0002109800000000 ] - [ -0.0060180700000000, 0.0052195100000000, 0.0008112600000000 ] - [ -0.0004137900000000, -0.0008149700000000, -0.0009404700000000 ] - [ -0.0009426800000000, 0.0004905900000000, -0.0011165000000000 ] - [ -0.0029843700000000, 0.0046734900000000, -0.0037294500000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006780600000000, -0.0011644600000000, 0.0007802300000000 ] - [ -0.0001629500000000, 0.0008800700000000, 0.0004353100000000 ] - [ 0.0005397700000000, 0.0002456600000000, 0.0002231000000000 ] - [ -0.0009197900000000, 0.0001924300000000, -0.0012158800000000 ] - [ -0.0018748600000000, -0.0008528700000000, 0.0006659900000000 ] - [ 0.0047159200000000, 0.0052952600000000, -0.0058124800000000 ] - [ -0.0029726800000000, -0.0022330100000000, -0.0019347500000000 ] - [ -0.0008899000000000, 0.0009809200000000, 0.0000432900000000 ] - [ 0.0007830100000000, -0.0009142700000000, 0.0017862900000000 ] - [ -0.0043161700000000, -0.0005805600000000, -0.0014159900000000 ] - [ 0.0026854800000000, -0.0018301400000000, 0.0020509200000000 ] - [ 0.0211108500000000, -0.0083154700000000, -0.0099180300000000 ] - [ -0.0062323000000000, -0.0161221100000000, 0.0154856900000000 ] - [ -0.0046291000000000, 0.0015851000000000, 0.0017369600000000 ] - [ -0.0027574400000000, -0.0006518100000000, -0.0009492100000000 ] - [ 0.0015324500000000, 0.0007345600000000, 0.0002210500000000 ] - [ -0.0009994100000000, -0.0000009800000000, 0.0005162500000000 ] - [ -0.0038043800000000, 0.0029180400000000, 0.0018504700000000 ] - [ -0.0017390800000000, 0.0004960400000000, -0.0005879700000000 ] - [ 0.0046070100000000, -0.0003662800000000, 0.0050388200000000 ] - [ -0.0002183100000000, -0.0009344500000000, -0.0034007000000000 ] - [ -0.0005958800000000, 0.0008838900000000, -0.0008322600000000 ] - [ 0.0023510400000000, 0.0078006900000000, -0.0025602600000000 ] - [ 0.0734219400000000, -0.0607422800000000, -0.0643044300000000 ] - [ 0.0005698000000000, -0.0004805300000000, -0.0001019000000000 ] - [ 0.0002734100000000, 0.0006346800000000, -0.0001626800000000 ] - [ 0.0005592000000000, -0.0002155300000000, -0.0004477300000000 ] - [ 0.0007274900000000, -0.0011280400000000, 0.0001709600000000 ] - [ -0.0002131700000000, -0.0005454400000000, 0.0000672600000000 ] - [ -0.0027373700000000, 0.0025320100000000, -0.0055922800000000 ] - [ -0.0006444700000000, -0.0008447400000000, 0.0001921400000000 ] - [ 0.0017711300000000, 0.0006109200000000, -0.0011086000000000 ] - [ -0.0102478700000000, -0.0007525100000000, 0.0016990700000000 ] - [ 0.0004769300000000, -0.0000948500000000, 0.0001898400000000 ] - [ 0.0046772700000000, -0.0011883200000000, -0.0062739700000000 ] - [ 0.0007369400000000, 0.0009964300000000, -0.0002829900000000 ] - [ -0.1043114100000000, 0.1012883700000000, 0.1067840300000000 ] - [ 0.0010677600000000, 0.0001671000000000, -0.0010436400000000 ] - [ -0.0002547700000000, -0.0068365800000000, 0.0051224100000000 ] - [ 0.0016983100000000, -0.0008426800000000, -0.0000723200000000 ] - [ -0.0075571000000000, 0.0028529800000000, 0.0086528400000000 ] - [ -0.0002747800000000, 0.0002125400000000, -0.0003534800000000 ] - [ 0.0006222800000000, 0.0002162900000000, 0.0018904200000000 ] - [ 0.0034170600000000, -0.0047751800000000, -0.0028541200000000 ] - [ 0.0077276900000000, -0.0037348500000000, -0.0056331800000000 ] - [ 0.0265047000000000, 0.0001399700000000, -0.0331547100000000 ] - [ 0.0001498600000000, -0.0002545700000000, -0.0000308000000000 ] - [ -0.0011776900000000, -0.0001525400000000, -0.0003483800000000 ] - [ -0.0003818600000000, -0.0017166200000000, 0.0001323500000000 ] - [ 0.0018424800000000, -0.0003743200000000, 0.0001660500000000 ] - [ 0.0010635800000000, -0.0002396700000000, -0.0007871100000000 ] - [ 0.0005074900000000, 0.0005295800000000, 0.0006347600000000 ] - [ 0.0008287400000000, -0.0007132700000000, -0.0002045600000000 ] - [ -0.0018551300000000, -0.0008642000000000, 0.0022560600000000 ] - [ 0.0005454700000000, -0.0005656300000000, -0.0010725300000000 ] - [ -0.0023399900000000, 0.0024178700000000, 0.0003344100000000 ] - [ -0.0016426400000000, 0.0013801300000000, 0.0011718800000000 ] - [ 0.0008169100000000, 0.0011223600000000, 0.0004146900000000 ] - [ 0.0004581700000000, 0.0002702400000000, 0.0000723100000000 ] - [ 0.0014776900000000, 0.0021774900000000, 0.0005869500000000 ] - [ -0.0052208600000000, -0.0189445300000000, -0.0018529400000000 ] - [ 0.0014825600000000, 0.0008244300000000, -0.0013604300000000 ] - [ 0.0000419000000000, 0.0000706400000000, 0.0003502600000000 ] - [ 0.0030481200000000, 0.0037509100000000, -0.0001325200000000 ] - [ -0.0004852000000000, -0.0008843400000000, -0.0003988900000000 ] - [ 0.0010680700000000, -0.0000848900000000, 0.0001973100000000 ] - [ 0.0002342700000000, 0.0002322300000000, -0.0005310600000000 ] - [ -0.0011643800000000, 0.0009641900000000, -0.0004195700000000 ] - [ -0.0015793600000000, -0.0038161500000000, -0.0010652700000000 ] - [ -0.0003786200000000, 0.0010256300000000, -0.0019282000000000 ] - [ -0.0022401200000000, 0.0042417400000000, -0.0037155200000000 ] - [ -0.0005122800000000, -0.0006096300000000, 0.0003103200000000 ] - [ -0.0012609400000000, -0.0007857300000000, 0.0013724600000000 ] - [ 0.0004024100000000, 0.0007438000000000, -0.0002383100000000 ] - [ -0.0007619900000000, -0.0012119400000000, -0.0016014800000000 ] - [ 0.0010987300000000, 0.0004936600000000, 0.0005592900000000 ] - [ 0.0001254500000000, -0.0011896600000000, -0.0001100500000000 ] - [ 0.0013675100000000, -0.0010459900000000, 0.0000253200000000 ] - [ 0.0005409200000000, -0.0016649600000000, 0.0015231900000000 ] - [ 0.0003545000000000, -0.0006422800000000, 0.0001002300000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006789100000000, 0.0007384000000000, -0.0007822300000000 ] - [ 0.0001678800000000, -0.0004571300000000, -0.0004384700000000 ] - [ -0.0005407600000000, -0.0006842800000000, -0.0002215600000000 ] - [ 0.0009166600000000, 0.0002506600000000, 0.0012241100000000 ] - [ 0.0020680300000000, 0.0012020300000000, -0.0018105200000000 ] - [ -0.0045442000000000, -0.0049897900000000, 0.0070026400000000 ] - [ 0.0027794500000000, 0.0018642600000000, 0.0007886500000000 ] - [ 0.0006967100000000, -0.0006299300000000, -0.0011753200000000 ] - [ -0.0009905700000000, 0.0005353100000000, -0.0007238600000000 ] - [ 0.0045095800000000, 0.0002403600000000, 0.0002758000000000 ] - [ -0.0024911600000000, 0.0014755200000000, -0.0009063700000000 ] - [ -0.0212773500000000, 0.0087897800000000, 0.0111897300000000 ] - [ 0.0062201200000000, 0.0163654500000000, -0.0154407100000000 ] - [ 0.0048742900000000, -0.0017858800000000, -0.0016378100000000 ] - [ 0.0030188000000000, 0.0008772500000000, 0.0010555600000000 ] - [ -0.0012634300000000, -0.0005403700000000, -0.0003163200000000 ] - [ 0.0007303400000000, -0.0002267500000000, -0.0004133200000000 ] - [ 0.0038197100000000, -0.0032516900000000, -0.0018517300000000 ] - [ 0.0014767400000000, -0.0002909000000000, 0.0006870100000000 ] - [ -0.0048855900000000, 0.0006062900000000, -0.0051678300000000 ] - [ 0.0002213300000000, 0.0006518700000000, 0.0034055500000000 ] - [ 0.0005895800000000, -0.0005946500000000, 0.0008420200000000 ] - [ -0.0020890500000000, -0.0080704500000000, 0.0024650000000000 ] - [ -0.0744257700000000, 0.0596791000000000, 0.0632613200000000 ] - [ -0.0018573100000000, 0.0004861800000000, -0.0010876000000000 ] - [ -0.0000599700000000, 0.0005379600000000, 0.0000416800000000 ] - [ -0.0002588800000000, -0.0002948700000000, -0.0007560600000000 ] - [ 0.0008250700000000, -0.0007800500000000, 0.0002970500000000 ] - [ 0.0002069200000000, -0.0002333000000000, 0.0004203600000000 ] - [ 0.0040496700000000, -0.0025652700000000, 0.0068223000000000 ] - [ 0.0008572300000000, -0.0003244000000000, -0.0000724200000000 ] - [ -0.0010220000000000, 0.0001002100000000, 0.0006803500000000 ] - [ 0.0100770000000000, 0.0019201800000000, -0.0015855200000000 ] - [ -0.0004762900000000, -0.0007059600000000, -0.0006714500000000 ] - [ -0.0049456500000000, 0.0006596600000000, 0.0050237700000000 ] - [ 0.0008282500000000, 0.0009001400000000, -0.0001835500000000 ] - [ 0.1045658600000000, -0.1007527100000000, -0.1057845000000000 ] - [ 0.0002291900000000, -0.0001485000000000, -0.0001618800000000 ] - [ 0.0002540700000000, 0.0076864600000000, -0.0046882000000000 ] - [ -0.0014062900000000, 0.0013699500000000, -0.0011404000000000 ] - [ 0.0088588800000000, -0.0027240200000000, -0.0072657000000000 ] - [ 0.0003934300000000, 0.0000051800000000, 0.0002360900000000 ] - [ 0.0001310500000000, 0.0004761100000000, -0.0014685300000000 ] - [ -0.0041816000000000, 0.0054951500000000, 0.0032912000000000 ] - [ -0.0063059700000000, 0.0018900500000000, 0.0052721200000000 ] - [ -0.0256888600000000, -0.0007491000000000, 0.0337972700000000 ] - [ -0.0002766900000000, 0.0000566100000000, 0.0001340500000000 ] - [ 0.0009189800000000, -0.0009911200000000, 0.0004663200000000 ] - [ -0.0011700000000000, -0.0001842000000000, -0.0006068500000000 ] - [ -0.0015899600000000, -0.0007763500000000, -0.0002794500000000 ] - [ 0.0002283100000000, 0.0002340100000000, -0.0004103400000000 ] - [ -0.0006264200000000, -0.0003059000000000, -0.0005153800000000 ] - [ -0.0000813400000000, 0.0000141100000000, -0.0002213500000000 ] - [ 0.0005647200000000, 0.0008920900000000, -0.0010545300000000 ] - [ -0.0005433600000000, 0.0013445000000000, 0.0005793300000000 ] - [ 0.0025919300000000, -0.0012703300000000, -0.0002241700000000 ] - [ 0.0019634100000000, -0.0008794500000000, 0.0000273400000000 ] - [ 0.0007208700000000, 0.0007987300000000, 0.0000553100000000 ] - [ -0.0017591300000000, -0.0002866900000000, -0.0012796700000000 ] - [ -0.0030408900000000, -0.0002809300000000, -0.0001193700000000 ] - [ 0.0051035900000000, 0.0196975900000000, 0.0023453500000000 ] - [ -0.0013574900000000, -0.0010396800000000, 0.0014703500000000 ] - [ -0.0007924200000000, 0.0006183900000000, -0.0007775600000000 ] - [ -0.0037887600000000, -0.0044392000000000, -0.0002938500000000 ] - [ 0.0001761000000000, 0.0014053900000000, 0.0016038300000000 ] - [ -0.0009414000000000, 0.0002830800000000, -0.0000976700000000 ] - [ -0.0002341100000000, 0.0005725600000000, 0.0000540300000000 ] - [ -0.0003483300000000, 0.0009642900000000, -0.0000512900000000 ] - [ 0.0017102300000000, 0.0036384500000000, 0.0009683900000000 ] - [ 0.0002481600000000, -0.0008438700000000, 0.0018501700000000 ] - [ 0.0029863800000000, -0.0049350700000000, 0.0041381300000000 ] - [ -0.0002341100000000, -0.0000814100000000, 0.0001162900000000 ] - [ -0.0000290600000000, 0.0007811400000000, -0.0001857100000000 ] - [ -0.0006456700000000, 0.0004101000000000, 0.0001218600000000 ] - [ 0.0007724400000000, 0.0004192500000000, 0.0020864800000000 ] - [ -0.0013952500000000, 0.0000133900000000, -0.0017605200000000 ] - [ -0.0016521400000000, -0.0007340600000000, 0.0005824700000000 ] - [ -0.0015987500000000, -0.0001159100000000, -0.0001430400000000 ] - [ -0.0008601600000000, 0.0011671200000000, -0.0003240900000000 ] - [ -0.0003537000000000, -0.0001501500000000, -0.0005825400000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001550000000000, 0.0016764200000000, -0.0004692000000000 ] - [ 0.0010375100000000, -0.0015420300000000, -0.0010846700000000 ] - [ -0.0009868700000000, -0.0018546300000000, -0.0006446100000000 ] - [ -0.0000176700000000, 0.0016862300000000, 0.0011269400000000 ] - [ 0.0019544900000000, 0.0014868900000000, -0.0027228000000000 ] - [ -0.0033703900000000, -0.0160248200000000, 0.0177170200000000 ] - [ 0.0012584700000000, -0.0000828600000000, 0.0010175800000000 ] - [ 0.0008715700000000, -0.0007517900000000, -0.0010783400000000 ] - [ -0.0038927800000000, -0.0028860500000000, -0.0106379600000000 ] - [ 0.0018193700000000, 0.0006794300000000, 0.0007343700000000 ] - [ -0.0012635900000000, -0.0003287600000000, 0.0004242800000000 ] - [ -0.0100853600000000, 0.0298736900000000, 0.0206031300000000 ] - [ 0.0027775300000000, 0.0100893400000000, -0.0065994100000000 ] - [ 0.0024419300000000, -0.0001312400000000, -0.0016010400000000 ] - [ 0.0012161000000000, 0.0019711500000000, 0.0012840100000000 ] - [ -0.0028952300000000, -0.0035852300000000, 0.0001383200000000 ] - [ -0.0000891300000000, -0.0009896400000000, -0.0004018600000000 ] - [ 0.0063853000000000, -0.0067929900000000, -0.0037344400000000 ] - [ 0.0019508700000000, -0.0017818900000000, 0.0008357600000000 ] - [ -0.0066443300000000, 0.0031439700000000, -0.0114413500000000 ] - [ 0.0026717900000000, 0.0053442400000000, 0.0029640500000000 ] - [ -0.0013511900000000, -0.0035727100000000, 0.0020155300000000 ] - [ -0.0034781200000000, -0.0188501900000000, 0.0034035000000000 ] - [ -0.0574789300000000, 0.1639469900000000, 0.1211439300000000 ] - [ -0.0009515500000000, -0.0000755500000000, -0.0003630300000000 ] - [ 0.0001238200000000, 0.0004900800000000, 0.0001523200000000 ] - [ 0.0005878400000000, 0.0005447000000000, -0.0004720100000000 ] - [ 0.0005776500000000, -0.0006890200000000, 0.0003194300000000 ] - [ 0.0005846700000000, 0.0015627200000000, 0.0018208000000000 ] - [ 0.0060994200000000, -0.0057522400000000, 0.0128179400000000 ] - [ 0.0003824000000000, -0.0006823000000000, -0.0000880300000000 ] - [ -0.0017935000000000, 0.0003245700000000, 0.0012841000000000 ] - [ 0.0100189800000000, 0.0095845100000000, 0.0048804300000000 ] - [ 0.0002507000000000, -0.0008456900000000, -0.0007102000000000 ] - [ -0.0023625700000000, -0.0003079800000000, 0.0017267500000000 ] - [ 0.0026893000000000, -0.0000297500000000, 0.0004329900000000 ] - [ 0.0994080500000000, -0.2364991500000000, -0.1969081100000000 ] - [ 0.0005246600000000, 0.0003092100000000, -0.0006255200000000 ] - [ -0.0014958300000000, 0.0155683000000000, -0.0091699000000000 ] - [ -0.0023003000000000, 0.0025769800000000, -0.0015310800000000 ] - [ 0.0025030000000000, 0.0037248900000000, 0.0263963900000000 ] - [ 0.0001954900000000, 0.0013790600000000, -0.0004982100000000 ] - [ -0.0025842900000000, -0.0026887900000000, -0.0035814200000000 ] - [ -0.0078333900000000, 0.0105934000000000, 0.0062778000000000 ] - [ -0.0117135300000000, -0.0083905000000000, 0.0003171500000000 ] - [ -0.0086730200000000, -0.0114555200000000, 0.0108151000000000 ] - [ -0.0002495200000000, 0.0003607600000000, 0.0000331100000000 ] - [ -0.0001943500000000, -0.0000628100000000, 0.0011686700000000 ] - [ -0.0033301600000000, 0.0018454600000000, -0.0015720000000000 ] - [ -0.0019119700000000, -0.0010423900000000, -0.0002045600000000 ] - [ -0.0000353600000000, 0.0005975900000000, -0.0002932200000000 ] - [ -0.0005122800000000, 0.0004457200000000, -0.0002264100000000 ] - [ 0.0002594800000000, 0.0005416700000000, -0.0004118600000000 ] - [ 0.0009610800000000, 0.0027921800000000, -0.0017342000000000 ] - [ -0.0004219400000000, 0.0006332100000000, 0.0004000300000000 ] - [ 0.0024742500000000, 0.0013888200000000, -0.0017192300000000 ] - [ 0.0023117600000000, -0.0020957600000000, 0.0002825400000000 ] - [ 0.0009576700000000, 0.0015085300000000, -0.0001038200000000 ] - [ -0.0014849900000000, -0.0004346300000000, -0.0009407200000000 ] - [ -0.0003929300000000, 0.0003421800000000, -0.0001814300000000 ] - [ -0.0138898600000000, 0.0451015700000000, 0.0080999000000000 ] - [ -0.0008478200000000, -0.0012576200000000, 0.0014037500000000 ] - [ -0.0011793200000000, -0.0001849100000000, -0.0007343400000000 ] - [ -0.0024558600000000, -0.0031927000000000, -0.0005791400000000 ] - [ 0.0011077300000000, 0.0032010200000000, 0.0028333700000000 ] - [ -0.0000982800000000, -0.0010522900000000, -0.0010335000000000 ] - [ -0.0000783700000000, 0.0009161900000000, 0.0003320600000000 ] - [ -0.0001901800000000, 0.0014068200000000, -0.0000687900000000 ] - [ 0.0038243800000000, 0.0092235600000000, 0.0034310600000000 ] - [ -0.0010257700000000, -0.0041796200000000, 0.0057684900000000 ] - [ 0.0019978800000000, -0.0037995900000000, 0.0018585000000000 ] - [ 0.0017273600000000, 0.0023489600000000, -0.0008793600000000 ] - [ 0.0007253500000000, 0.0025036300000000, -0.0020355200000000 ] - [ -0.0004409500000000, 0.0004778800000000, 0.0001580900000000 ] - [ 0.0008738600000000, 0.0002176900000000, 0.0032696900000000 ] - [ -0.0009388800000000, -0.0013700800000000, -0.0006321200000000 ] - [ -0.0015817800000000, -0.0009700700000000, 0.0008485300000000 ] - [ -0.0013656900000000, -0.0002156600000000, -0.0003698300000000 ] - [ -0.0015888600000000, 0.0033573200000000, -0.0013678200000000 ] - [ -0.0002300000000000, 0.0006819300000000, -0.0010863300000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001486800000000, -0.0020977200000000, 0.0004626400000000 ] - [ -0.0010409100000000, 0.0019670900000000, 0.0010912700000000 ] - [ 0.0009667400000000, 0.0014148200000000, 0.0006314900000000 ] - [ 0.0000064100000000, -0.0012362300000000, -0.0011273000000000 ] - [ -0.0017394400000000, -0.0011136100000000, 0.0015616000000000 ] - [ 0.0035798500000000, 0.0163349700000000, -0.0166571100000000 ] - [ -0.0014292500000000, -0.0002394500000000, -0.0021325100000000 ] - [ -0.0010668700000000, 0.0010875900000000, -0.0000711100000000 ] - [ 0.0036748100000000, 0.0024972600000000, 0.0116734000000000 ] - [ -0.0016096900000000, -0.0010446900000000, -0.0018570200000000 ] - [ 0.0014239300000000, 0.0000202200000000, 0.0006947300000000 ] - [ 0.0092444400000000, -0.0284680900000000, -0.0183444200000000 ] - [ -0.0026973800000000, -0.0096020500000000, 0.0064325600000000 ] - [ -0.0021358500000000, -0.0000900000000000, 0.0016789500000000 ] - [ -0.0009295200000000, -0.0017398200000000, -0.0011595400000000 ] - [ 0.0031577100000000, 0.0037647700000000, -0.0002752200000000 ] - [ -0.0001587200000000, 0.0007751600000000, 0.0005039600000000 ] - [ -0.0063151300000000, 0.0064405100000000, 0.0037085400000000 ] - [ -0.0021822000000000, 0.0019730100000000, -0.0007197200000000 ] - [ 0.0063367800000000, -0.0029034600000000, 0.0112539300000000 ] - [ -0.0026911000000000, -0.0056423500000000, -0.0029252700000000 ] - [ 0.0013650300000000, 0.0038420100000000, -0.0019890000000000 ] - [ 0.0037239700000000, 0.0185225900000000, -0.0034260400000000 ] - [ 0.0608068400000000, -0.1689268000000000, -0.1291049300000000 ] - [ -0.0003294200000000, 0.0000798000000000, -0.0008127000000000 ] - [ 0.0001087000000000, 0.0006671800000000, -0.0002635600000000 ] - [ -0.0002906600000000, -0.0010575400000000, -0.0007487200000000 ] - [ 0.0009740500000000, -0.0012094400000000, 0.0001524500000000 ] - [ -0.0005912000000000, -0.0022877300000000, -0.0012996900000000 ] - [ -0.0047837900000000, 0.0056788800000000, -0.0115547300000000 ] - [ -0.0001544900000000, -0.0004812500000000, 0.0002053000000000 ] - [ 0.0025003100000000, 0.0003442500000000, -0.0016885300000000 ] - [ -0.0100406100000000, -0.0082621500000000, -0.0046678300000000 ] - [ -0.0002551200000000, 0.0000830100000000, 0.0001992200000000 ] - [ 0.0020095300000000, -0.0002013400000000, -0.0028886600000000 ] - [ -0.0011310900000000, 0.0019280200000000, -0.0008965500000000 ] - [ -0.1026396700000000, 0.2403948500000000, 0.2036028300000000 ] - [ 0.0007413400000000, -0.0003088100000000, -0.0005450200000000 ] - [ 0.0014574300000000, -0.0146588900000000, 0.0095449500000000 ] - [ 0.0025743000000000, -0.0020356700000000, 0.0002992500000000 ] - [ -0.0011949300000000, -0.0034995100000000, -0.0251425200000000 ] - [ -0.0000588700000000, -0.0011962900000000, 0.0004168200000000 ] - [ 0.0033411100000000, 0.0033926700000000, 0.0039969300000000 ] - [ 0.0070477000000000, -0.0098540600000000, -0.0058209500000000 ] - [ 0.0130520600000000, 0.0062903900000000, -0.0008236400000000 ] - [ 0.0087291600000000, 0.0109788400000000, -0.0093345600000000 ] - [ 0.0001106600000000, -0.0005369400000000, 0.0000571500000000 ] - [ -0.0000455800000000, -0.0010790300000000, -0.0010486100000000 ] - [ 0.0018021700000000, -0.0037540100000000, 0.0011116500000000 ] - [ 0.0021365600000000, -0.0001102100000000, 0.0000898300000000 ] - [ 0.0013011400000000, -0.0005904800000000, -0.0008820000000000 ] - [ 0.0003717900000000, -0.0002601600000000, 0.0003141200000000 ] - [ 0.0004665100000000, -0.0012011500000000, -0.0000056200000000 ] - [ -0.0022094500000000, -0.0027765000000000, 0.0028699500000000 ] - [ 0.0004146500000000, 0.0001333900000000, -0.0008896300000000 ] - [ -0.0022720000000000, -0.0002150400000000, 0.0018345000000000 ] - [ -0.0019677500000000, 0.0025959000000000, 0.0009299600000000 ] - [ 0.0006153500000000, 0.0003833800000000, 0.0005685200000000 ] - [ 0.0002010900000000, 0.0004250700000000, -0.0002488200000000 ] - [ -0.0011402000000000, 0.0015667700000000, 0.0006481500000000 ] - [ 0.0142918700000000, -0.0451900300000000, -0.0078537600000000 ] - [ 0.0009660200000000, 0.0010576800000000, -0.0012904800000000 ] - [ 0.0004422000000000, 0.0008579800000000, 0.0003096300000000 ] - [ 0.0016834700000000, 0.0024750100000000, 0.0001590000000000 ] - [ -0.0014245200000000, -0.0026666900000000, -0.0016004300000000 ] - [ 0.0002249600000000, 0.0012306500000000, 0.0011154800000000 ] - [ 0.0000790300000000, -0.0001545700000000, -0.0008228900000000 ] - [ -0.0013415800000000, 0.0005025300000000, -0.0003996400000000 ] - [ -0.0036827700000000, -0.0093719500000000, -0.0035197600000000 ] - [ 0.0008816500000000, 0.0043230700000000, -0.0058013400000000 ] - [ -0.0012328200000000, 0.0030644300000000, -0.0013901200000000 ] - [ -0.0024550900000000, -0.0029993200000000, 0.0012889900000000 ] - [ -0.0019967100000000, -0.0024988600000000, 0.0032212800000000 ] - [ 0.0002020900000000, 0.0006790900000000, -0.0002693700000000 ] - [ -0.0008587700000000, -0.0009602900000000, -0.0027454600000000 ] - [ 0.0006231500000000, 0.0018838000000000, -0.0006035200000000 ] - [ 0.0000297600000000, -0.0009347400000000, -0.0003720900000000 ] - [ 0.0011046000000000, -0.0009314800000000, 0.0002552200000000 ] - [ 0.0012451900000000, -0.0038366300000000, 0.0025573700000000 ] - [ 0.0002257800000000, -0.0014315400000000, 0.0005787600000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0011072700000000, 0.0014153100000000, -0.0013819100000000 ] - [ 0.0005977700000000, -0.0009568300000000, -0.0000206000000000 ] - [ -0.0010896300000000, -0.0013214700000000, -0.0008694400000000 ] - [ -0.0015255400000000, 0.0018321300000000, 0.0005696300000000 ] - [ 0.0017985400000000, 0.0015063200000000, -0.0037284000000000 ] - [ -0.0033511300000000, -0.0017149400000000, 0.0083735800000000 ] - [ 0.0017757300000000, 0.0016424300000000, 0.0024791800000000 ] - [ -0.0000432200000000, -0.0000557500000000, -0.0026487600000000 ] - [ -0.0049195200000000, -0.0065290200000000, -0.0169359900000000 ] - [ 0.0014591100000000, 0.0000594900000000, 0.0020965300000000 ] - [ -0.0013116700000000, 0.0025206500000000, -0.0024325500000000 ] - [ -0.0100562200000000, 0.0165209300000000, 0.0230370700000000 ] - [ 0.0088297000000000, 0.0154587400000000, -0.0141270000000000 ] - [ 0.0045818100000000, -0.0014845600000000, -0.0028963900000000 ] - [ -0.0009131300000000, 0.0004143400000000, 0.0027214200000000 ] - [ -0.0012219900000000, -0.0038751500000000, -0.0035082500000000 ] - [ -0.0003518700000000, -0.0006490600000000, -0.0010126200000000 ] - [ 0.0061996900000000, -0.0058804700000000, -0.0036711300000000 ] - [ 0.0018939000000000, -0.0011580000000000, 0.0014021300000000 ] - [ -0.0060474000000000, 0.0028445500000000, -0.0163633100000000 ] - [ -0.0030226600000000, 0.0016364100000000, -0.0012387100000000 ] - [ -0.0023256400000000, -0.0037958200000000, 0.0026219500000000 ] - [ -0.0011857600000000, -0.0101867000000000, 0.0048048300000000 ] - [ -0.0649795400000000, 0.1268133800000000, 0.1894185500000000 ] - [ -0.0013771100000000, 0.0004215400000000, -0.0006805700000000 ] - [ 0.0002789800000000, 0.0004280400000000, 0.0003151400000000 ] - [ 0.0009279300000000, 0.0006251300000000, -0.0003483800000000 ] - [ 0.0007920100000000, -0.0007282900000000, 0.0006056500000000 ] - [ 0.0005193800000000, 0.0028908700000000, 0.0040674600000000 ] - [ 0.0056497800000000, -0.0036459400000000, 0.0153993600000000 ] - [ -0.0000171000000000, -0.0013452900000000, 0.0005368000000000 ] - [ -0.0018187300000000, 0.0001165500000000, 0.0013833300000000 ] - [ 0.0102524800000000, 0.0084887600000000, 0.0022826500000000 ] - [ 0.0003617800000000, -0.0000296400000000, -0.0015751500000000 ] - [ -0.0046138600000000, 0.0004992300000000, 0.0041632300000000 ] - [ 0.0038607800000000, -0.0003550800000000, 0.0008326700000000 ] - [ 0.1041908300000000, -0.1962711300000000, -0.2622314800000000 ] - [ 0.0004705500000000, 0.0001049700000000, -0.0003829800000000 ] - [ 0.0000484900000000, 0.0077540600000000, -0.0096032200000000 ] - [ -0.0022672300000000, 0.0021899900000000, -0.0014790800000000 ] - [ 0.0065469800000000, 0.0295065700000000, 0.0471489900000000 ] - [ 0.0003892700000000, 0.0005500000000000, 0.0009860300000000 ] - [ 0.0013267800000000, -0.0024386100000000, 0.0006328800000000 ] - [ -0.0072621600000000, 0.0096251100000000, 0.0061654000000000 ] - [ -0.0115482700000000, -0.0041748600000000, 0.0000116100000000 ] - [ -0.0259516800000000, -0.0004953200000000, 0.0196382100000000 ] - [ -0.0000122000000000, -0.0000784500000000, 0.0005327200000000 ] - [ -0.0017528600000000, 0.0011491600000000, 0.0010137100000000 ] - [ -0.0012561700000000, 0.0000094200000000, -0.0009004900000000 ] - [ -0.0012372000000000, -0.0006416800000000, -0.0004461500000000 ] - [ 0.0002042600000000, 0.0004476500000000, -0.0003949300000000 ] - [ -0.0006693500000000, -0.0001732400000000, -0.0008134700000000 ] - [ 0.0007204400000000, 0.0002459800000000, -0.0007801400000000 ] - [ 0.0009192500000000, 0.0012040600000000, -0.0023996600000000 ] - [ -0.0006369500000000, 0.0014813100000000, 0.0011916500000000 ] - [ 0.0020977500000000, -0.0021318900000000, -0.0006007500000000 ] - [ 0.0016696000000000, -0.0006415800000000, 0.0021298200000000 ] - [ 0.0010597200000000, 0.0009127000000000, -0.0002949200000000 ] - [ -0.0009241200000000, 0.0000235700000000, -0.0006906000000000 ] - [ -0.0003720300000000, 0.0007110200000000, -0.0006862300000000 ] - [ -0.0021474300000000, 0.0118465400000000, -0.0094919200000000 ] - [ -0.0013259700000000, -0.0014457100000000, 0.0021230900000000 ] - [ 0.0008705600000000, -0.0006295400000000, 0.0006382500000000 ] - [ -0.0044435600000000, -0.0049438700000000, -0.0009829700000000 ] - [ 0.0008279800000000, 0.0029945900000000, 0.0031222900000000 ] - [ 0.0002372900000000, -0.0009851200000000, -0.0016775800000000 ] - [ 0.0000205700000000, 0.0008642400000000, 0.0006337600000000 ] - [ -0.0005646800000000, 0.0009580100000000, 0.0000633000000000 ] - [ 0.0011132200000000, 0.0033945600000000, 0.0000266800000000 ] - [ -0.0019730800000000, -0.0056964700000000, 0.0081986000000000 ] - [ 0.0015078000000000, -0.0054230400000000, 0.0042568100000000 ] - [ 0.0024676400000000, 0.0032629600000000, -0.0015898900000000 ] - [ -0.0006622000000000, 0.0012292100000000, 0.0014201900000000 ] - [ -0.0003464100000000, 0.0004432900000000, 0.0003655800000000 ] - [ 0.0009773700000000, 0.0010473900000000, 0.0048876100000000 ] - [ 0.0014776100000000, 0.0000523900000000, -0.0009838000000000 ] - [ -0.0015716400000000, -0.0009234200000000, 0.0010888500000000 ] - [ -0.0010219400000000, -0.0004594000000000, -0.0005676700000000 ] - [ -0.0015356300000000, 0.0025549400000000, -0.0015648000000000 ] - [ -0.0003761100000000, 0.0005668400000000, -0.0013852800000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0011011800000000, -0.0018345600000000, 0.0013826000000000 ] - [ -0.0005961300000000, 0.0013812400000000, 0.0000085600000000 ] - [ 0.0010779000000000, 0.0008783800000000, 0.0008654400000000 ] - [ 0.0015204700000000, -0.0013989200000000, -0.0005827000000000 ] - [ -0.0015830000000000, -0.0011544400000000, 0.0025783300000000 ] - [ 0.0035276200000000, 0.0019700100000000, -0.0071161300000000 ] - [ -0.0019560600000000, -0.0019903200000000, -0.0036119900000000 ] - [ -0.0001506300000000, 0.0003985500000000, 0.0015153900000000 ] - [ 0.0047405200000000, 0.0062280600000000, 0.0181039700000000 ] - [ -0.0012492100000000, -0.0004062500000000, -0.0032350500000000 ] - [ 0.0014899700000000, -0.0028722700000000, 0.0035314000000000 ] - [ 0.0094069400000000, -0.0152917000000000, -0.0213158900000000 ] - [ -0.0088221100000000, -0.0151277400000000, 0.0140921900000000 ] - [ -0.0043109900000000, 0.0012780000000000, 0.0029877300000000 ] - [ 0.0011899500000000, -0.0001920800000000, -0.0026000100000000 ] - [ 0.0014701400000000, 0.0040893800000000, 0.0034240800000000 ] - [ 0.0001030900000000, 0.0004299100000000, 0.0011130200000000 ] - [ -0.0061563300000000, 0.0055363100000000, 0.0036658200000000 ] - [ -0.0021351000000000, 0.0013535300000000, -0.0012905000000000 ] - [ 0.0057024600000000, -0.0026257700000000, 0.0161890500000000 ] - [ 0.0030103200000000, -0.0019000200000000, 0.0012854900000000 ] - [ 0.0023537100000000, 0.0041077000000000, -0.0026378800000000 ] - [ 0.0014413600000000, 0.0099566900000000, -0.0049358600000000 ] - [ 0.0692282600000000, -0.1357245800000000, -0.1963708000000000 ] - [ 0.0001043800000000, -0.0004226600000000, -0.0004923900000000 ] - [ -0.0000534500000000, 0.0007347700000000, -0.0004300600000000 ] - [ -0.0006332300000000, -0.0011417800000000, -0.0008663500000000 ] - [ 0.0007483100000000, -0.0011784700000000, -0.0001379000000000 ] - [ -0.0005271100000000, -0.0036551100000000, -0.0035904700000000 ] - [ -0.0043528600000000, 0.0036174000000000, -0.0141107000000000 ] - [ 0.0002382400000000, 0.0001844100000000, -0.0004183600000000 ] - [ 0.0025412900000000, 0.0005596400000000, -0.0018010000000000 ] - [ -0.0103096800000000, -0.0072044700000000, -0.0021609400000000 ] - [ -0.0003645600000000, -0.0007370200000000, 0.0010691500000000 ] - [ 0.0042970400000000, -0.0010137500000000, -0.0053683800000000 ] - [ -0.0023585300000000, 0.0022766900000000, -0.0013059200000000 ] - [ -0.1083881100000000, 0.2042655400000000, 0.2690685700000000 ] - [ 0.0007982500000000, -0.0001033300000000, -0.0007935900000000 ] - [ -0.0000434500000000, -0.0069912800000000, 0.0100366400000000 ] - [ 0.0025512600000000, -0.0016549000000000, 0.0002475600000000 ] - [ -0.0054476000000000, -0.0300393200000000, -0.0467699500000000 ] - [ -0.0002533200000000, -0.0003649900000000, -0.0010843000000000 ] - [ -0.0005846700000000, 0.0030888400000000, -0.0002302600000000 ] - [ 0.0064949300000000, -0.0089081800000000, -0.0057184600000000 ] - [ 0.0128790200000000, 0.0021820200000000, -0.0005251100000000 ] - [ 0.0265308200000000, -0.0001284200000000, -0.0184071800000000 ] - [ -0.0001234600000000, -0.0001072000000000, -0.0004379500000000 ] - [ 0.0015602900000000, -0.0023259300000000, -0.0008904800000000 ] - [ -0.0002917000000000, -0.0019030100000000, 0.0004203900000000 ] - [ 0.0014657900000000, -0.0005139500000000, 0.0003341900000000 ] - [ 0.0010642900000000, -0.0004462700000000, -0.0007912600000000 ] - [ 0.0005336700000000, 0.0003660500000000, 0.0009085100000000 ] - [ 0.0000062900000000, -0.0009125000000000, 0.0003679700000000 ] - [ -0.0021863600000000, -0.0011902700000000, 0.0035923100000000 ] - [ 0.0006353800000000, -0.0007181500000000, -0.0016854600000000 ] - [ -0.0018684800000000, 0.0032966600000000, 0.0006991200000000 ] - [ -0.0013173600000000, 0.0011307800000000, -0.0009334500000000 ] - [ 0.0004912000000000, 0.0009901200000000, 0.0007626100000000 ] - [ -0.0003578600000000, -0.0000350300000000, -0.0005062900000000 ] - [ -0.0011592200000000, 0.0011964000000000, 0.0011584700000000 ] - [ 0.0020949300000000, -0.0108540100000000, 0.0100899300000000 ] - [ 0.0014505700000000, 0.0012426300000000, -0.0020143500000000 ] - [ -0.0016117300000000, 0.0012983500000000, -0.0010696000000000 ] - [ 0.0037014800000000, 0.0042693400000000, 0.0005674500000000 ] - [ -0.0011428400000000, -0.0024725400000000, -0.0019062300000000 ] - [ -0.0001052600000000, 0.0011639400000000, 0.0017610400000000 ] - [ -0.0000200500000000, -0.0000922200000000, -0.0011193900000000 ] - [ -0.0009564200000000, 0.0009582300000000, -0.0005333600000000 ] - [ -0.0009728400000000, -0.0035547700000000, -0.0001098200000000 ] - [ 0.0018470900000000, 0.0058763100000000, -0.0082772400000000 ] - [ -0.0007539200000000, 0.0047318000000000, -0.0038139900000000 ] - [ -0.0032265800000000, -0.0039570100000000, 0.0020297300000000 ] - [ -0.0005928700000000, -0.0012198700000000, -0.0002754100000000 ] - [ 0.0001091000000000, 0.0007130100000000, -0.0004803500000000 ] - [ -0.0009539800000000, -0.0017766300000000, -0.0043667600000000 ] - [ -0.0017860200000000, 0.0004559600000000, -0.0002476400000000 ] - [ 0.0000283000000000, -0.0009844500000000, -0.0006163100000000 ] - [ 0.0007721300000000, -0.0006900800000000, 0.0004545100000000 ] - [ 0.0012219300000000, -0.0030663800000000, 0.0027886700000000 ] - [ 0.0003755600000000, -0.0013240200000000, 0.0008835800000000 ]