# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/a64ad40c-ee48-4e52-931e-6f8f0f5a4ba4/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 CdI2 / P3m1 (156) / materials id 571667](https://mdr.nims.go.jp/datasets/fe672562-17ab-4864-9c5c-782f89eb760e) ## 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: "P3m1" number: 156 Hall_symbol: "P 3 -2\""supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.221710660000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.110855330000000, 3.656108660000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 89.068063749999993 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.711562180000000 ] mass: 112.411000 - symbol: Cd # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.326976240000000 ] mass: 112.411000 - symbol: Cd # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.557766160000000 ] mass: 112.411000 - symbol: Cd # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.096032550000000 ] mass: 112.411000 - symbol: Cd # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.634629080000000 ] mass: 112.411000 - symbol: Cd # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.865326010000000 ] mass: 112.411000 - symbol: Cd # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.942243050000000 ] mass: 112.411000 - symbol: Cd # 8 coordinates: [ 0.333333330000000, 0.666666670000000, 0.480894950000000 ] mass: 112.411000 - symbol: Cd # 9 coordinates: [ 0.333333330000000, 0.666666670000000, 0.403950860000000 ] mass: 112.411000 - symbol: Cd # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250008390000000 ] mass: 112.411000 - symbol: Cd # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.019139410000000 ] mass: 112.411000 - symbol: Cd # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.788450890000000 ] mass: 112.411000 - symbol: Cd # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.173004070000000 ] mass: 112.411000 - symbol: I # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.615486490000000 ] mass: 126.904470 - symbol: I # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.653775780000000 ] mass: 126.904470 - symbol: I # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.538628060000000 ] mass: 126.904470 - symbol: I # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.846181050000000 ] mass: 126.904470 - symbol: I # 18 coordinates: [ 0.333333330000000, 0.666666670000000, 0.230867400000000 ] mass: 126.904470 - symbol: I # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.307830790000000 ] mass: 126.904470 - symbol: I # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.384807890000000 ] mass: 126.904470 - symbol: I # 21 coordinates: [ 0.666666670000000, 0.333333330000000, 0.961386440000000 ] mass: 126.904470 - symbol: I # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.730705490000000 ] mass: 126.904470 - symbol: I # 23 coordinates: [ 0.666666670000000, 0.333333330000000, 0.192152090000000 ] mass: 126.904470 - symbol: I # 24 coordinates: [ 0.666666670000000, 0.333333330000000, 0.807594670000000 ] mass: 126.904470 - symbol: I # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.461756510000000 ] mass: 126.904470 - symbol: I # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.346122730000000 ] mass: 126.904470 - symbol: I # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.576912020000000 ] mass: 126.904470 - symbol: I # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.038284320000000 ] mass: 126.904470 - symbol: I # 29 coordinates: [ 0.666666670000000, 0.333333330000000, 0.269155900000000 ] mass: 126.904470 - symbol: I # 30 coordinates: [ 0.333333330000000, 0.666666670000000, 0.769312590000000 ] mass: 126.904470 - symbol: I # 31 coordinates: [ 0.333333330000000, 0.666666670000000, 0.692422890000000 ] mass: 126.904470 - symbol: I # 32 coordinates: [ 0.666666670000000, 0.333333330000000, 0.115176530000000 ] mass: 126.904470 - symbol: I # 33 coordinates: [ 0.333333330000000, 0.666666670000000, 0.076890310000000 ] mass: 126.904470 - symbol: I # 34 coordinates: [ 0.666666670000000, 0.333333330000000, 0.884469520000000 ] mass: 126.904470 - symbol: I # 35 coordinates: [ 0.666666670000000, 0.333333330000000, 0.423096190000000 ] mass: 126.904470 - symbol: I # 36 coordinates: [ 0.333333330000000, 0.666666670000000, 0.153861300000000 ] mass: 126.904470 - symbol: I # 37 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000001330000000 ] mass: 126.904470 - symbol: I # 38 coordinates: [ 0.666666670000000, 0.333333330000000, 0.500035880000000 ] mass: 126.904470 - symbol: I # 39 coordinates: [ 0.000000000000000, 0.000000000000000, 0.923102050000000 ] mass: 126.904470 reciprocal_lattice: # without 2pi - [ 0.236870804405151, 0.136757423396711, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.273514846793421, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.011227368799740 ] # c*unit_cell: lattice: - [ 4.221710660000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.110855330000000, 3.656108660000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 89.068063749999993 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.711562180000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.326976240000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.557766160000000 ] mass: 112.411000 reduced_to: 3 - symbol: Cd # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.096032550000000 ] mass: 112.411000 reduced_to: 4 - symbol: Cd # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.634629080000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.865326010000000 ] mass: 112.411000 reduced_to: 6 - symbol: Cd # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.942243050000000 ] mass: 112.411000 reduced_to: 7 - symbol: Cd # 8 coordinates: [ 0.333333330000000, 0.666666670000000, 0.480894950000000 ] mass: 112.411000 reduced_to: 8 - symbol: Cd # 9 coordinates: [ 0.333333330000000, 0.666666670000000, 0.403950860000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250008390000000 ] mass: 112.411000 reduced_to: 10 - symbol: Cd # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.019139410000000 ] mass: 112.411000 reduced_to: 11 - symbol: Cd # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.788450890000000 ] mass: 112.411000 reduced_to: 12 - symbol: Cd # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.173004070000000 ] mass: 112.411000 reduced_to: 13 - symbol: I # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.615486490000000 ] mass: 126.904470 reduced_to: 14 - symbol: I # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.653775780000000 ] mass: 126.904470 reduced_to: 15 - symbol: I # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.538628060000000 ] mass: 126.904470 reduced_to: 16 - symbol: I # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.846181050000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 18 coordinates: [ 0.333333330000000, 0.666666670000000, 0.230867400000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.307830790000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.384807890000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 21 coordinates: [ 0.666666670000000, 0.333333330000000, 0.961386440000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.730705490000000 ] mass: 126.904470 reduced_to: 22 - symbol: I # 23 coordinates: [ 0.666666670000000, 0.333333330000000, 0.192152090000000 ] mass: 126.904470 reduced_to: 23 - symbol: I # 24 coordinates: [ 0.666666670000000, 0.333333330000000, 0.807594670000000 ] mass: 126.904470 reduced_to: 24 - symbol: I # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.461756510000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.346122730000000 ] mass: 126.904470 reduced_to: 26 - symbol: I # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.576912020000000 ] mass: 126.904470 reduced_to: 27 - symbol: I # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.038284320000000 ] mass: 126.904470 reduced_to: 28 - symbol: I # 29 coordinates: [ 0.666666670000000, 0.333333330000000, 0.269155900000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 30 coordinates: [ 0.333333330000000, 0.666666670000000, 0.769312590000000 ] mass: 126.904470 reduced_to: 30 - symbol: I # 31 coordinates: [ 0.333333330000000, 0.666666670000000, 0.692422890000000 ] mass: 126.904470 reduced_to: 31 - symbol: I # 32 coordinates: [ 0.666666670000000, 0.333333330000000, 0.115176530000000 ] mass: 126.904470 reduced_to: 32 - symbol: I # 33 coordinates: [ 0.333333330000000, 0.666666670000000, 0.076890310000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 34 coordinates: [ 0.666666670000000, 0.333333330000000, 0.884469520000000 ] mass: 126.904470 reduced_to: 34 - symbol: I # 35 coordinates: [ 0.666666670000000, 0.333333330000000, 0.423096190000000 ] mass: 126.904470 reduced_to: 35 - symbol: I # 36 coordinates: [ 0.333333330000000, 0.666666670000000, 0.153861300000000 ] mass: 126.904470 reduced_to: 36 - symbol: I # 37 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000001330000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 38 coordinates: [ 0.666666670000000, 0.333333330000000, 0.500035880000000 ] mass: 126.904470 reduced_to: 38 - symbol: I # 39 coordinates: [ 0.000000000000000, 0.000000000000000, 0.923102050000000 ] mass: 126.904470 reduced_to: 39supercell: lattice: - [ 4.221710660000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.110855330000000, 3.656108660000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 89.068063749999993 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.711562180000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.333333330000000, 0.666666670000000, 0.326976240000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 3 coordinates: [ 0.333333330000000, 0.666666670000000, 0.557766160000000 ] mass: 112.411000 reduced_to: 3 - symbol: Cd # 4 coordinates: [ 0.000000000000000, 0.000000000000000, 0.096032550000000 ] mass: 112.411000 reduced_to: 4 - symbol: Cd # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.634629080000000 ] mass: 112.411000 reduced_to: 5 - symbol: Cd # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.865326010000000 ] mass: 112.411000 reduced_to: 6 - symbol: Cd # 7 coordinates: [ 0.333333330000000, 0.666666670000000, 0.942243050000000 ] mass: 112.411000 reduced_to: 7 - symbol: Cd # 8 coordinates: [ 0.333333330000000, 0.666666670000000, 0.480894950000000 ] mass: 112.411000 reduced_to: 8 - symbol: Cd # 9 coordinates: [ 0.333333330000000, 0.666666670000000, 0.403950860000000 ] mass: 112.411000 reduced_to: 9 - symbol: Cd # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250008390000000 ] mass: 112.411000 reduced_to: 10 - symbol: Cd # 11 coordinates: [ 0.333333330000000, 0.666666670000000, 0.019139410000000 ] mass: 112.411000 reduced_to: 11 - symbol: Cd # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.788450890000000 ] mass: 112.411000 reduced_to: 12 - symbol: Cd # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.173004070000000 ] mass: 112.411000 reduced_to: 13 - symbol: I # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.615486490000000 ] mass: 126.904470 reduced_to: 14 - symbol: I # 15 coordinates: [ 0.666666670000000, 0.333333330000000, 0.653775780000000 ] mass: 126.904470 reduced_to: 15 - symbol: I # 16 coordinates: [ 0.000000000000000, 0.000000000000000, 0.538628060000000 ] mass: 126.904470 reduced_to: 16 - symbol: I # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.846181050000000 ] mass: 126.904470 reduced_to: 17 - symbol: I # 18 coordinates: [ 0.333333330000000, 0.666666670000000, 0.230867400000000 ] mass: 126.904470 reduced_to: 18 - symbol: I # 19 coordinates: [ 0.000000000000000, 0.000000000000000, 0.307830790000000 ] mass: 126.904470 reduced_to: 19 - symbol: I # 20 coordinates: [ 0.000000000000000, 0.000000000000000, 0.384807890000000 ] mass: 126.904470 reduced_to: 20 - symbol: I # 21 coordinates: [ 0.666666670000000, 0.333333330000000, 0.961386440000000 ] mass: 126.904470 reduced_to: 21 - symbol: I # 22 coordinates: [ 0.666666670000000, 0.333333330000000, 0.730705490000000 ] mass: 126.904470 reduced_to: 22 - symbol: I # 23 coordinates: [ 0.666666670000000, 0.333333330000000, 0.192152090000000 ] mass: 126.904470 reduced_to: 23 - symbol: I # 24 coordinates: [ 0.666666670000000, 0.333333330000000, 0.807594670000000 ] mass: 126.904470 reduced_to: 24 - symbol: I # 25 coordinates: [ 0.000000000000000, 0.000000000000000, 0.461756510000000 ] mass: 126.904470 reduced_to: 25 - symbol: I # 26 coordinates: [ 0.666666670000000, 0.333333330000000, 0.346122730000000 ] mass: 126.904470 reduced_to: 26 - symbol: I # 27 coordinates: [ 0.666666670000000, 0.333333330000000, 0.576912020000000 ] mass: 126.904470 reduced_to: 27 - symbol: I # 28 coordinates: [ 0.666666670000000, 0.333333330000000, 0.038284320000000 ] mass: 126.904470 reduced_to: 28 - symbol: I # 29 coordinates: [ 0.666666670000000, 0.333333330000000, 0.269155900000000 ] mass: 126.904470 reduced_to: 29 - symbol: I # 30 coordinates: [ 0.333333330000000, 0.666666670000000, 0.769312590000000 ] mass: 126.904470 reduced_to: 30 - symbol: I # 31 coordinates: [ 0.333333330000000, 0.666666670000000, 0.692422890000000 ] mass: 126.904470 reduced_to: 31 - symbol: I # 32 coordinates: [ 0.666666670000000, 0.333333330000000, 0.115176530000000 ] mass: 126.904470 reduced_to: 32 - symbol: I # 33 coordinates: [ 0.333333330000000, 0.666666670000000, 0.076890310000000 ] mass: 126.904470 reduced_to: 33 - symbol: I # 34 coordinates: [ 0.666666670000000, 0.333333330000000, 0.884469520000000 ] mass: 126.904470 reduced_to: 34 - symbol: I # 35 coordinates: [ 0.666666670000000, 0.333333330000000, 0.423096190000000 ] mass: 126.904470 reduced_to: 35 - symbol: I # 36 coordinates: [ 0.333333330000000, 0.666666670000000, 0.153861300000000 ] mass: 126.904470 reduced_to: 36 - symbol: I # 37 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000001330000000 ] mass: 126.904470 reduced_to: 37 - symbol: I # 38 coordinates: [ 0.666666670000000, 0.333333330000000, 0.500035880000000 ] mass: 126.904470 reduced_to: 38 - symbol: I # 39 coordinates: [ 0.000000000000000, 0.000000000000000, 0.923102050000000 ] mass: 126.904470 reduced_to: 39displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0214796100000000, 0.0000005200000000, 0.0003726200000000 ] - [ -0.0000007200000000, -0.0000003300000000, -0.0001868500000000 ] - [ -0.0000020800000000, -0.0000004800000000, 0.0002443700000000 ] - [ 0.0000009600000000, 0.0000001500000000, 0.0002300800000000 ] - [ 0.0000920000000000, 0.0000000200000000, 0.0006249900000000 ] - [ -0.0000015800000000, -0.0000003300000000, -0.0009735100000000 ] - [ -0.0000021700000000, -0.0000004300000000, -0.0002123700000000 ] - [ -0.0000023400000000, -0.0000004800000000, -0.0000585700000000 ] - [ -0.0000025700000000, -0.0000004400000000, -0.0004838100000000 ] - [ 0.0000012100000000, -0.0000000400000000, 0.0001306000000000 ] - [ -0.0000026100000000, -0.0000005200000000, 0.0002741600000000 ] - [ 0.0000922800000000, 0.0000001000000000, -0.0005350600000000 ] - [ 0.0000011200000000, 0.0000001100000000, 0.0005749200000000 ] - [ 0.0000040900000000, 0.0000001400000000, 0.0005341100000000 ] - [ -0.0002747600000000, 0.0000003300000000, -0.0010012100000000 ] - [ -0.0000010200000000, 0.0000000600000000, 0.0008547200000000 ] - [ -0.0000029800000000, 0.0000003400000000, 0.0009659300000000 ] - [ -0.0000011800000000, -0.0000001600000000, 0.0001078300000000 ] - [ -0.0000015100000000, 0.0000003900000000, 0.0001954800000000 ] - [ -0.0000013200000000, 0.0000002100000000, 0.0001957600000000 ] - [ -0.0000021900000000, 0.0000000100000000, -0.0002537500000000 ] - [ 0.0109301100000000, 0.0002041500000000, 0.0000307900000000 ] - [ -0.0000014900000000, 0.0000001500000000, -0.0004024900000000 ] - [ 0.0000056300000000, 0.0000002200000000, 0.0000311700000000 ] - [ -0.0000034900000000, 0.0000001600000000, -0.0009553300000000 ] - [ -0.0000007000000000, 0.0000000100000000, -0.0005578600000000 ] - [ -0.0000006700000000, 0.0000000000000000, -0.0009263100000000 ] - [ -0.0000003100000000, -0.0000000200000000, -0.0000046400000000 ] - [ -0.0000006800000000, 0.0000001800000000, -0.0001060800000000 ] - [ -0.0002784100000000, -0.0000002900000000, 0.0004265900000000 ] - [ 0.0109448500000000, -0.0002042500000000, -0.0005156400000000 ] - [ -0.0000022800000000, 0.0000001700000000, 0.0006881100000000 ] - [ -0.0000004500000000, 0.0000001600000000, 0.0000747400000000 ] - [ -0.0000002400000000, 0.0000000000000000, -0.0002982800000000 ] - [ -0.0000005400000000, 0.0000000100000000, -0.0007706500000000 ] - [ -0.0000002900000000, -0.0000000200000000, 0.0003865900000000 ] - [ -0.0000022700000000, 0.0000000600000000, 0.0005034500000000 ] - [ -0.0000003800000000, -0.0000000200000000, 0.0004355800000000 ] - [ -0.0000014300000000, 0.0000001900000000, 0.0003597900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0605254500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005884000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010169600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010086800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014588200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001968600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005630300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007158600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002909100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009022000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010434100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002970400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013522300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001390000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011645300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004646700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005826600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002794100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001884500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001948100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006440800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300708200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007916500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003685600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013431700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009475100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013141800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003925800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004947800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002598900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0298149700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002974000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003074700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006873000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011583200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000007900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001136700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000465800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000273200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0613221700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009641600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005302000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005516700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002109000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017532600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009864500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008336200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012586800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006440000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004977000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013693300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002018000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009294100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008348900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012437100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013500600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004945500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005799100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005857900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001338800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302897300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000160300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004292700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005679600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001703200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005398100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003815700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002807500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005873100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0305701400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010764400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004577700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000889300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003851800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007733000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008925800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008223900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007460500000000 ]- atom: 2 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000004100000000, 0.0000012200000000, 0.0003869700000000 ] - [ -0.0215339800000000, -0.0000429700000000, -0.0001920400000000 ] - [ 0.0000019900000000, 0.0000006100000000, 0.0002440600000000 ] - [ -0.0000010700000000, 0.0000012700000000, 0.0002298000000000 ] - [ -0.0000013100000000, 0.0000012900000000, 0.0006248500000000 ] - [ 0.0000042300000000, 0.0000007900000000, -0.0009737000000000 ] - [ 0.0000039000000000, 0.0000007000000000, -0.0002126000000000 ] - [ 0.0000021700000000, 0.0000006200000000, -0.0000588400000000 ] - [ 0.0000947800000000, 0.0000005200000000, -0.0004838900000000 ] - [ 0.0000340100000000, 0.0000010000000000, 0.0001302000000000 ] - [ 0.0000021200000000, 0.0000006000000000, 0.0002739000000000 ] - [ 0.0000007100000000, 0.0000010900000000, -0.0005354400000000 ] - [ -0.0000003100000000, 0.0000012400000000, 0.0005746900000000 ] - [ 0.0000004200000000, 0.0000013300000000, 0.0005338000000000 ] - [ 0.0000014600000000, 0.0000012700000000, -0.0010010800000000 ] - [ 0.0000013800000000, 0.0000011600000000, 0.0008543900000000 ] - [ 0.0000007900000000, 0.0000014700000000, 0.0009655300000000 ] - [ -0.0000285000000000, 0.0000009200000000, 0.0001074500000000 ] - [ 0.0109431700000000, 0.0002056100000000, -0.0000519100000000 ] - [ -0.0002708300000000, 0.0000014900000000, 0.0001955700000000 ] - [ 0.0000014400000000, 0.0000011200000000, -0.0002538800000000 ] - [ -0.0000001700000000, 0.0000012600000000, -0.0002166900000000 ] - [ -0.0000003300000000, 0.0000012700000000, -0.0004025900000000 ] - [ 0.0000006200000000, 0.0000013000000000, 0.0000309300000000 ] - [ 0.0000009100000000, 0.0000012800000000, -0.0009557000000000 ] - [ 0.0109146300000000, -0.0002026500000000, -0.0003108000000000 ] - [ -0.0000001300000000, 0.0000011200000000, -0.0009264800000000 ] - [ 0.0000015600000000, 0.0000011000000000, -0.0000048200000000 ] - [ -0.0001850600000000, 0.0000013700000000, -0.0001066400000000 ] - [ -0.0000017300000000, 0.0000009900000000, 0.0004260300000000 ] - [ -0.0000009300000000, 0.0000011600000000, -0.0002684400000000 ] - [ 0.0000013900000000, 0.0000012900000000, 0.0006880000000000 ] - [ -0.0000008700000000, 0.0000012800000000, 0.0000743300000000 ] - [ 0.0000017100000000, 0.0000011100000000, -0.0002983900000000 ] - [ 0.0000065300000000, 0.0000010900000000, -0.0007707400000000 ] - [ 0.0000016500000000, 0.0000011100000000, 0.0003862400000000 ] - [ 0.0000014600000000, 0.0000011800000000, 0.0005030900000000 ] - [ 0.0000019700000000, 0.0000011100000000, 0.0004354300000000 ] - [ -0.0000001700000000, 0.0000013100000000, 0.0003594100000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011668200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0611774200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010150600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010074500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014017400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001942000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005704600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007193100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003478500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009552100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010516100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002389200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013570300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001509600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013875400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004691100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005857100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002951700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302749900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000303800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006402100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006040800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007904200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003551000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013405300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0297371600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013139100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003896500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002558800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000397000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006563400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003003400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003057100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006851900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011693100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000013800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001189600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000497600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000265000000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003913400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0607813700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005279200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005485000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001521900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017530400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009937100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008370900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013157300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006951700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005044300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013100100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002060400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009183500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006145000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012384300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013471400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005103600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301000100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003557400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001327600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001707500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000142500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004185100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005702100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0306363800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005372300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003819200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000479400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008114700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001193400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010756900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004561000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000885800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003720200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007733900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008859800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008210500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007449100000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000008800000000, 0.0000011700000000, 0.0003870400000000 ] - [ 0.0000020900000000, 0.0000007100000000, -0.0001870400000000 ] - [ -0.0215354700000000, -0.0000418700000000, 0.0002365000000000 ] - [ 0.0000006400000000, 0.0000012200000000, 0.0002299200000000 ] - [ 0.0000345400000000, 0.0000009600000000, 0.0006250900000000 ] - [ 0.0000022900000000, 0.0000007700000000, -0.0009736000000000 ] - [ 0.0000039000000000, 0.0000006700000000, -0.0002125000000000 ] - [ 0.0000960800000000, 0.0000006900000000, -0.0000589400000000 ] - [ 0.0000020000000000, 0.0000005900000000, -0.0004840000000000 ] - [ -0.0000014000000000, 0.0000010400000000, 0.0001304200000000 ] - [ 0.0000039200000000, 0.0000005600000000, 0.0002740000000000 ] - [ -0.0000010300000000, 0.0000010500000000, -0.0005353400000000 ] - [ 0.0000004000000000, 0.0000012000000000, 0.0005747600000000 ] - [ -0.0000726200000000, 0.0000019900000000, 0.0005340800000000 ] - [ 0.0000215700000000, 0.0000011900000000, -0.0010011000000000 ] - [ 0.0109509900000000, 0.0002055200000000, 0.0006068900000000 ] - [ 0.0000013900000000, 0.0000014200000000, 0.0009656900000000 ] - [ 0.0000010500000000, 0.0000009100000000, 0.0001076200000000 ] - [ -0.0000002800000000, 0.0000014800000000, 0.0001952600000000 ] - [ 0.0000016800000000, 0.0000013000000000, 0.0001955600000000 ] - [ 0.0000001400000000, 0.0000010900000000, -0.0002538900000000 ] - [ 0.0000013800000000, 0.0000012200000000, -0.0002167000000000 ] - [ 0.0000011000000000, 0.0000012300000000, -0.0004026300000000 ] - [ -0.0000004200000000, 0.0000012400000000, 0.0000309400000000 ] - [ 0.0000062700000000, 0.0000012900000000, -0.0009555600000000 ] - [ 0.0000016600000000, 0.0000010900000000, -0.0005579500000000 ] - [ 0.0107418500000000, -0.0002031800000000, -0.0006789600000000 ] - [ 0.0000008800000000, 0.0000010700000000, -0.0000048300000000 ] - [ 0.0000012400000000, 0.0000012600000000, -0.0001062200000000 ] - [ 0.0000009800000000, 0.0000009500000000, 0.0004261200000000 ] - [ 0.0000007400000000, 0.0000011000000000, -0.0002683000000000 ] - [ 0.0000013500000000, 0.0000012300000000, 0.0006879500000000 ] - [ 0.0000023600000000, 0.0000012500000000, 0.0000744700000000 ] - [ 0.0000017500000000, 0.0000010800000000, -0.0002984200000000 ] - [ 0.0000011900000000, 0.0000011000000000, -0.0007707400000000 ] - [ 0.0000008100000000, 0.0000010600000000, 0.0003863800000000 ] - [ 0.0000013600000000, 0.0000011400000000, 0.0005032100000000 ] - [ -0.0002766400000000, 0.0000009100000000, 0.0004352600000000 ] - [ 0.0000011400000000, 0.0000012700000000, 0.0003595700000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011638600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005842100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0607843800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010032800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014490600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001935700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005687000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007676000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002890500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008993400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010469300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002335600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013499900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004742000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013990300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0309279800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005894000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002776200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001842000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001866400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006395700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006011100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007876500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003548600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013506200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009441900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0293017000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003890300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004894300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000440200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006501500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003023700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003037100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006831900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011557300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000029000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001208200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002786700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000229500000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003851400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009563300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0611697600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005428000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001989200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017525600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009888400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008809200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012527900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006376400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004987500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013030000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001960700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005963900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006018600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0294328500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013466600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004969600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005792500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005815800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001316200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001675400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000179500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004170700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005571600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001713000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0309371000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003800300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002774500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008119000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001170600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010739000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004576000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000873000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003856700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007735900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008892300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005974300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007453200000000 ]- atom: 4 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000008700000000, 0.0000001000000000, 0.0003864600000000 ] - [ -0.0000022000000000, -0.0000003300000000, -0.0001875800000000 ] - [ -0.0000005600000000, -0.0000004700000000, 0.0002436400000000 ] - [ -0.0214764500000000, 0.0000002500000000, 0.0002416000000000 ] - [ 0.0000009700000000, 0.0000001800000000, 0.0006244600000000 ] - [ -0.0000023500000000, -0.0000003200000000, -0.0009741200000000 ] - [ -0.0000015200000000, -0.0000004200000000, -0.0002130300000000 ] - [ -0.0000008300000000, -0.0000004700000000, -0.0000593000000000 ] - [ -0.0000025300000000, -0.0000004300000000, -0.0004845500000000 ] - [ -0.0000012000000000, -0.0000000400000000, 0.0001298500000000 ] - [ 0.0000331100000000, -0.0000004300000000, 0.0002734500000000 ] - [ -0.0000006300000000, -0.0000000200000000, -0.0005359100000000 ] - [ 0.0000917100000000, 0.0000002300000000, 0.0005744700000000 ] - [ -0.0000010000000000, 0.0000002200000000, 0.0005331600000000 ] - [ -0.0000007200000000, 0.0000001500000000, -0.0010013500000000 ] - [ -0.0000042800000000, 0.0000000600000000, 0.0008538400000000 ] - [ -0.0000033800000000, 0.0000003500000000, 0.0009648800000000 ] - [ -0.0000009100000000, -0.0000001600000000, 0.0001069000000000 ] - [ -0.0000013100000000, 0.0000004100000000, 0.0001944900000000 ] - [ -0.0000022000000000, 0.0000002200000000, 0.0001948100000000 ] - [ -0.0000021800000000, 0.0000000200000000, -0.0002541800000000 ] - [ -0.0000010000000000, 0.0000001500000000, -0.0002169700000000 ] - [ 0.0000041100000000, 0.0000002100000000, -0.0004028200000000 ] - [ -0.0000008500000000, 0.0000001800000000, 0.0000306200000000 ] - [ -0.0000034400000000, 0.0000001600000000, -0.0009562500000000 ] - [ -0.0000022300000000, 0.0000000100000000, -0.0005581700000000 ] - [ -0.0000012100000000, 0.0000000000000000, -0.0009267900000000 ] - [ -0.0001897700000000, -0.0000000900000000, -0.0000056100000000 ] - [ -0.0000004700000000, 0.0000001900000000, -0.0001065200000000 ] - [ -0.0000003100000000, -0.0000001200000000, 0.0004254300000000 ] - [ -0.0000018500000000, 0.0000000300000000, -0.0002690200000000 ] - [ 0.0109236800000000, 0.0002041000000000, 0.0009350000000000 ] - [ 0.0109586200000000, -0.0002041300000000, -0.0001734400000000 ] - [ -0.0000004100000000, 0.0000000000000000, -0.0002986700000000 ] - [ -0.0000003200000000, 0.0000000200000000, -0.0007710500000000 ] - [ -0.0002726400000000, -0.0000001700000000, 0.0003858400000000 ] - [ -0.0000314300000000, 0.0000001200000000, 0.0005024400000000 ] - [ -0.0000020400000000, 0.0000000100000000, 0.0004351700000000 ] - [ -0.0000008800000000, 0.0000002000000000, 0.0003588400000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011666600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005873600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010149400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0606485100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014029900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002000800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005658700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007164500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002906000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009050600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010952100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002386200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014036600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001505300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013912700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004644600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005819400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002803500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001886500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001957600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006446900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006063800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008050500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003575100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013467400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009499000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013157800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001555000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004960100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000385900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006577000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0309847500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301527100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006890500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011603900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002174400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000978700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000449700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000313300000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003901000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009612000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005261000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0610495300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001545000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017480500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009871400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008321400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012564500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006438000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005477200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013104300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002476100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009201500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006103900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012464600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013524500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004981500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005821100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005893300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001361600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001722600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000007200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004189900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005623300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001660000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005371100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001498200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002831600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008158400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001227800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0293908400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302175200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000927000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003815200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005530600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009105100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008260100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007521900000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000911300000000, 0.0000002400000000, 0.0003873600000000 ] - [ -0.0000033700000000, -0.0000003200000000, -0.0001868900000000 ] - [ 0.0000324300000000, -0.0000003800000000, 0.0002442400000000 ] - [ 0.0000001900000000, 0.0000001600000000, 0.0002300100000000 ] - [ -0.0214344100000000, 0.0000003100000000, 0.0006128000000000 ] - [ -0.0000030400000000, -0.0000003200000000, -0.0009735600000000 ] - [ -0.0000033800000000, -0.0000004100000000, -0.0002124200000000 ] - [ -0.0000023700000000, -0.0000004700000000, -0.0000586100000000 ] - [ -0.0000031200000000, -0.0000004300000000, -0.0004838700000000 ] - [ 0.0000001700000000, -0.0000000200000000, 0.0001304700000000 ] - [ -0.0000016700000000, -0.0000005200000000, 0.0002741300000000 ] - [ -0.0000023000000000, -0.0000000300000000, -0.0005353000000000 ] - [ 0.0000002800000000, 0.0000001300000000, 0.0005749000000000 ] - [ 0.0109578200000000, -0.0002040700000000, 0.0002869500000000 ] - [ 0.0109128500000000, 0.0002039300000000, -0.0007538700000000 ] - [ -0.0000323400000000, 0.0000001300000000, 0.0008545600000000 ] - [ -0.0000021300000000, 0.0000003600000000, 0.0009658300000000 ] - [ -0.0000027900000000, -0.0000001600000000, 0.0001077400000000 ] - [ -0.0000020700000000, 0.0000004000000000, 0.0001953800000000 ] - [ -0.0000042700000000, 0.0000002200000000, 0.0001956500000000 ] - [ -0.0000011500000000, 0.0000000100000000, -0.0002537800000000 ] - [ 0.0000033300000000, 0.0000002000000000, -0.0002164900000000 ] - [ -0.0000015200000000, 0.0000001700000000, -0.0004025300000000 ] - [ -0.0000013100000000, 0.0000001800000000, 0.0000311000000000 ] - [ -0.0000016700000000, 0.0000001700000000, -0.0009554300000000 ] - [ -0.0000013900000000, 0.0000000100000000, -0.0005578800000000 ] - [ -0.0001919500000000, -0.0000000600000000, -0.0009268500000000 ] - [ -0.0000027800000000, -0.0000000100000000, -0.0000046800000000 ] - [ -0.0000018100000000, 0.0000001900000000, -0.0001061100000000 ] - [ -0.0000016800000000, -0.0000001200000000, 0.0004262600000000 ] - [ -0.0002756600000000, -0.0000001400000000, -0.0002679100000000 ] - [ -0.0000023600000000, 0.0000001600000000, 0.0006880400000000 ] - [ -0.0000010000000000, 0.0000001700000000, 0.0000746100000000 ] - [ -0.0000030400000000, 0.0000000100000000, -0.0002982800000000 ] - [ -0.0000012300000000, 0.0000000200000000, -0.0007706700000000 ] - [ -0.0000019300000000, -0.0000000100000000, 0.0003864900000000 ] - [ -0.0000043600000000, 0.0000000600000000, 0.0005033400000000 ] - [ -0.0000030100000000, 0.0000000100000000, 0.0004355700000000 ] - [ -0.0000030600000000, 0.0000001900000000, 0.0003597000000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0012255100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005888600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010675300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010101500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0603253100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001981300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005642000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007203700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002930100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009053100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010464300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002426800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013549100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0306110200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0292889400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004504200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005848200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002792300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001893700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001908400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006415300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006169500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007910300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003567300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013443100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009453500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010738400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003935100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004941600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000406500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004329000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002994100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003067500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006881100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011594400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000004100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001148900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000469800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000290100000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004450200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009631100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005795000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005517800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0615335800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017503600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009859800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008365500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012593400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006464000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004990700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013133200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002033800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0297581800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0310728600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012592000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013491700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004962300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005822000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005836600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001325300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001827700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000155300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004177800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005656500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001709700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007748800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003835100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002811500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008133400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001066500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010759900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004582900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000913100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003827900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007739600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008932200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008237900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007496300000000 ]- atom: 6 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000004500000000, 0.0000011000000000, 0.0003874000000000 ] - [ 0.0000041500000000, 0.0000006700000000, -0.0001866600000000 ] - [ 0.0000021200000000, 0.0000005400000000, 0.0002445000000000 ] - [ -0.0000010400000000, 0.0000011500000000, 0.0002303300000000 ] - [ -0.0000012100000000, 0.0000011700000000, 0.0006252900000000 ] - [ -0.0215483500000000, -0.0000384100000000, -0.0009964400000000 ] - [ 0.0000953100000000, 0.0000004200000000, -0.0002119400000000 ] - [ 0.0000037200000000, 0.0000005400000000, -0.0000583800000000 ] - [ 0.0000039500000000, 0.0000005700000000, -0.0004835800000000 ] - [ 0.0000002800000000, 0.0000009700000000, 0.0001308300000000 ] - [ 0.0000016900000000, 0.0000004400000000, 0.0002743600000000 ] - [ 0.0000343300000000, 0.0000008800000000, -0.0005351200000000 ] - [ -0.0000014800000000, 0.0000011200000000, 0.0005751900000000 ] - [ -0.0000009900000000, 0.0000012000000000, 0.0005344300000000 ] - [ 0.0000012600000000, 0.0000011500000000, -0.0010007600000000 ] - [ 0.0000013200000000, 0.0000010500000000, 0.0008549700000000 ] - [ 0.0109498200000000, 0.0002055000000000, 0.0007191400000000 ] - [ -0.0000011400000000, 0.0000008400000000, 0.0001080400000000 ] - [ 0.0000014400000000, 0.0000014000000000, 0.0001957300000000 ] - [ 0.0000005400000000, 0.0000012100000000, 0.0001960000000000 ] - [ 0.0000065000000000, 0.0000009600000000, -0.0002535200000000 ] - [ -0.0000005000000000, 0.0000011400000000, -0.0002163500000000 ] - [ 0.0000013700000000, 0.0000011500000000, -0.0004023100000000 ] - [ -0.0001889400000000, 0.0000012400000000, 0.0000308500000000 ] - [ -0.0000002600000000, 0.0000011700000000, -0.0009550800000000 ] - [ 0.0000007700000000, 0.0000010100000000, -0.0005576600000000 ] - [ 0.0000014200000000, 0.0000010000000000, -0.0009261100000000 ] - [ 0.0000018100000000, 0.0000009800000000, -0.0000044700000000 ] - [ -0.0000003000000000, 0.0000011800000000, -0.0001058700000000 ] - [ -0.0000291000000000, 0.0000008400000000, 0.0004265900000000 ] - [ 0.0000015400000000, 0.0000010400000000, -0.0002678000000000 ] - [ -0.0000005600000000, 0.0000011600000000, 0.0006882700000000 ] - [ 0.0000010800000000, 0.0000011600000000, 0.0000749400000000 ] - [ 0.0109301200000000, -0.0002029600000000, -0.0000508300000000 ] - [ 0.0000015900000000, 0.0000010100000000, -0.0007704400000000 ] - [ 0.0000001500000000, 0.0000010000000000, 0.0003868100000000 ] - [ 0.0000007400000000, 0.0000010600000000, 0.0005036400000000 ] - [ 0.0000013300000000, 0.0000009900000000, 0.0004357800000000 ] - [ -0.0002740300000000, 0.0000013700000000, 0.0003602300000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011685100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005927600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010241400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010069800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014018100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0619766000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006222600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007252300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002983700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009046500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010456800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002891800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013531600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001533200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013883500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004702800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0310392000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002800300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001852700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001891500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006524600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006039600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007890400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001146500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013412200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009449600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013112500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003908200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004936600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000233400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006562300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002994400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003057000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0299983200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011573400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000014400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001189200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000496600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001969300000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003901800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009650300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005351200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005467000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001517700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0599392100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010438400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008400800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012627700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006431200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004984700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013592100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001994800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009186700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006126900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012418800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0293209500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004991300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005795700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005838100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001447600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001705600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000166100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001811900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005666900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001703700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005411800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003813300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002813000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008321700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001226600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010769500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004588700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303750100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003841400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007777500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008911000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008217400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005207500000000 ]- atom: 7 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000011700000000, 0.0000011600000000, 0.0003864800000000 ] - [ 0.0000038700000000, 0.0000007300000000, -0.0001875300000000 ] - [ 0.0000037700000000, 0.0000006000000000, 0.0002435900000000 ] - [ -0.0000003500000000, 0.0000012100000000, 0.0002294400000000 ] - [ -0.0000014000000000, 0.0000012300000000, 0.0006243900000000 ] - [ 0.0000953500000000, 0.0000008500000000, -0.0009745100000000 ] - [ -0.0215514800000000, -0.0000407400000000, -0.0002003700000000 ] - [ 0.0000038600000000, 0.0000006000000000, -0.0000592600000000 ] - [ 0.0000040800000000, 0.0000006300000000, -0.0004845400000000 ] - [ -0.0000014100000000, 0.0000010300000000, 0.0001299000000000 ] - [ 0.0000957700000000, 0.0000003300000000, 0.0002737000000000 ] - [ -0.0000008500000000, 0.0000010300000000, -0.0005359100000000 ] - [ -0.0000010600000000, 0.0000011800000000, 0.0005742900000000 ] - [ 0.0000011900000000, 0.0000012600000000, 0.0005335100000000 ] - [ 0.0000012000000000, 0.0000012000000000, -0.0010016500000000 ] - [ -0.0000002200000000, 0.0000011100000000, 0.0008540300000000 ] - [ 0.0000057800000000, 0.0000014600000000, 0.0009651900000000 ] - [ 0.0000001700000000, 0.0000009000000000, 0.0001071500000000 ] - [ 0.0000012200000000, 0.0000014600000000, 0.0001948100000000 ] - [ 0.0000014200000000, 0.0000012800000000, 0.0001950900000000 ] - [ 0.0109318000000000, -0.0002029300000000, -0.0000071000000000 ] - [ 0.0000013500000000, 0.0000012100000000, -0.0002172500000000 ] - [ -0.0000004400000000, 0.0000012100000000, -0.0004032300000000 ] - [ 0.0000011200000000, 0.0000012300000000, 0.0000304200000000 ] - [ 0.0000005600000000, 0.0000012100000000, -0.0009559800000000 ] - [ 0.0000000400000000, 0.0000010600000000, -0.0005585300000000 ] - [ 0.0000013600000000, 0.0000010600000000, -0.0009270200000000 ] - [ 0.0000079700000000, 0.0000010000000000, -0.0000053500000000 ] - [ 0.0000014600000000, 0.0000012400000000, -0.0001068000000000 ] - [ 0.0000013800000000, 0.0000009400000000, 0.0004256900000000 ] - [ -0.0000010300000000, 0.0000010900000000, -0.0002687300000000 ] - [ 0.0000015000000000, 0.0000012100000000, 0.0006873400000000 ] - [ -0.0000004900000000, 0.0000012200000000, 0.0000740000000000 ] - [ -0.0002733300000000, 0.0000008800000000, -0.0002992000000000 ] - [ 0.0000008800000000, 0.0000010800000000, -0.0007713500000000 ] - [ 0.0000010400000000, 0.0000010500000000, 0.0003859000000000 ] - [ -0.0002762900000000, 0.0000012700000000, 0.0005029300000000 ] - [ 0.0000016800000000, 0.0000010600000000, 0.0004348800000000 ] - [ 0.0109396800000000, 0.0002054200000000, 0.0001116100000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011613600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005913800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010202100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010064800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013979200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001456800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0610844400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007204000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002953000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009000200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010919500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002367600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013495000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001483500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013902600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004665300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005702700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002824700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001876600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001917000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300327700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006072800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007945600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003583400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013425700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009498100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013159800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004059600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004959700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000366700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006560900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002973200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003097700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004625400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011609200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000011700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003365700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000456400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304377600000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003889300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009684000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005368200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005514500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001529400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018106800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0607842400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008410400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012654900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006436800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005488800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013118800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002016500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009186500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006164900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012403600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013599300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004964600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005770000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005810700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303300800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001680500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000166100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004149300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005703400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001711600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005420000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003914600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002780400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008139600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001175300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010733700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004580100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001349400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003861000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007721700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006637000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008198000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299391600000000 ]- atom: 8 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000014400000000, 0.0000008600000000, 0.0003871800000000 ] - [ 0.0000017800000000, 0.0000004100000000, -0.0001869300000000 ] - [ 0.0000956000000000, 0.0000001000000000, 0.0002446300000000 ] - [ 0.0000000600000000, 0.0000009100000000, 0.0002300600000000 ] - [ -0.0000007800000000, 0.0000009300000000, 0.0006251000000000 ] - [ 0.0000034100000000, 0.0000004500000000, -0.0009734600000000 ] - [ 0.0000035000000000, 0.0000003600000000, -0.0002123900000000 ] - [ -0.0215589700000000, -0.0000295200000000, -0.0000728400000000 ] - [ 0.0000949600000000, 0.0000004300000000, -0.0004840700000000 ] - [ -0.0000016000000000, 0.0000007400000000, 0.0001305800000000 ] - [ 0.0000035500000000, 0.0000002400000000, 0.0002742100000000 ] - [ -0.0000018300000000, 0.0000007400000000, -0.0005351900000000 ] - [ -0.0000018400000000, 0.0000008800000000, 0.0005749400000000 ] - [ -0.0000009000000000, 0.0000009600000000, 0.0005341200000000 ] - [ 0.0000011000000000, 0.0000009100000000, -0.0010009400000000 ] - [ -0.0002779900000000, 0.0000009700000000, 0.0008548600000000 ] - [ 0.0000008400000000, 0.0000011200000000, 0.0009658700000000 ] - [ -0.0000015200000000, 0.0000006000000000, 0.0001077900000000 ] - [ 0.0000013600000000, 0.0000011600000000, 0.0001954500000000 ] - [ 0.0000058300000000, 0.0000010400000000, 0.0001956700000000 ] - [ 0.0000004600000000, 0.0000007700000000, -0.0002537300000000 ] - [ -0.0000008600000000, 0.0000009100000000, -0.0002165300000000 ] - [ 0.0000008000000000, 0.0000009200000000, -0.0004024800000000 ] - [ 0.0000010300000000, 0.0000009400000000, 0.0000311200000000 ] - [ 0.0109495600000000, 0.0002052300000000, -0.0012029600000000 ] - [ 0.0000007300000000, 0.0000007700000000, -0.0005577900000000 ] - [ 0.0000075800000000, 0.0000007100000000, -0.0009262600000000 ] - [ 0.0000012700000000, 0.0000007400000000, -0.0000046600000000 ] - [ 0.0000009500000000, 0.0000009500000000, -0.0001060600000000 ] - [ -0.0000002200000000, 0.0000006400000000, 0.0004263000000000 ] - [ 0.0000006400000000, 0.0000008000000000, -0.0002680900000000 ] - [ 0.0000006200000000, 0.0000009200000000, 0.0006881000000000 ] - [ 0.0000004900000000, 0.0000009300000000, 0.0000746700000000 ] - [ -0.0000002900000000, 0.0000007600000000, -0.0002982500000000 ] - [ -0.0002726900000000, 0.0000006100000000, -0.0007708000000000 ] - [ 0.0000007000000000, 0.0000007400000000, 0.0003865600000000 ] - [ 0.0000001300000000, 0.0000008100000000, 0.0005033800000000 ] - [ 0.0109430100000000, -0.0002033800000000, 0.0006830700000000 ] - [ 0.0000009900000000, 0.0000009600000000, 0.0003597400000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011631400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005884600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010695600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010056800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014026100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001920400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005693500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0610010700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003420700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009018800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010493000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002349700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013508700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001519500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013898800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006903500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005849900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002778100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001858800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002024400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006424100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006067000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007902300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003569700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0291330300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009473500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013258500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003931400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004952600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000382700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006537300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002987100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003071400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006882800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009352400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000019100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001179900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0307262300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000260700000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003833300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009606700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005745700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005439500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001510500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017526000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009883300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0607380300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013066300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006389500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004997400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013034400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001958100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009220000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006100900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010198100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013522200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004990000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005820900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005988500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001354000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001740600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000143400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004198500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0312568900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001669800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005253600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003846900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002838900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008197600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001224000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010787500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004622900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000936300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006009600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007802200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008940200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0296374900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007502200000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000018700000000, 0.0000007400000000, 0.0003867000000000 ] - [ 0.0000942800000000, 0.0000004200000000, -0.0001876800000000 ] - [ 0.0000014000000000, 0.0000001200000000, 0.0002438700000000 ] - [ -0.0000018100000000, 0.0000007800000000, 0.0002295800000000 ] - [ -0.0000014700000000, 0.0000008100000000, 0.0006246100000000 ] - [ 0.0000035200000000, 0.0000003200000000, -0.0009739700000000 ] - [ 0.0000036100000000, 0.0000002300000000, -0.0002128300000000 ] - [ 0.0000948500000000, -0.0000000100000000, -0.0000588600000000 ] - [ -0.0215124900000000, -0.0000247400000000, -0.0004795000000000 ] - [ -0.0000012900000000, 0.0000006100000000, 0.0001301100000000 ] - [ 0.0000031600000000, 0.0000001200000000, 0.0002736900000000 ] - [ -0.0000001300000000, 0.0000006100000000, -0.0005356900000000 ] - [ -0.0000016800000000, 0.0000007600000000, 0.0005744200000000 ] - [ 0.0000007200000000, 0.0000008400000000, 0.0005336300000000 ] - [ -0.0000009400000000, 0.0000007700000000, -0.0010014000000000 ] - [ 0.0000003800000000, 0.0000006900000000, 0.0008541600000000 ] - [ 0.0000010500000000, 0.0000009900000000, 0.0009653700000000 ] - [ 0.0000009200000000, 0.0000004800000000, 0.0001073000000000 ] - [ 0.0000052600000000, 0.0000010900000000, 0.0001948700000000 ] - [ 0.0109282200000000, 0.0002049000000000, -0.0000522000000000 ] - [ 0.0000012000000000, 0.0000006400000000, -0.0002542000000000 ] - [ 0.0000009600000000, 0.0000007900000000, -0.0002170100000000 ] - [ 0.0000009000000000, 0.0000008000000000, -0.0004029200000000 ] - [ -0.0000006700000000, 0.0000008100000000, 0.0000306600000000 ] - [ -0.0002728800000000, 0.0000009600000000, -0.0009556700000000 ] - [ -0.0002707800000000, 0.0000004800000000, -0.0005584300000000 ] - [ 0.0000013800000000, 0.0000006400000000, -0.0009267900000000 ] - [ 0.0000009100000000, 0.0000006200000000, -0.0000051400000000 ] - [ 0.0000006200000000, 0.0000008200000000, -0.0001065100000000 ] - [ -0.0000015300000000, 0.0000005100000000, 0.0004257900000000 ] - [ -0.0000002100000000, 0.0000006700000000, -0.0002686000000000 ] - [ 0.0000007000000000, 0.0000008000000000, 0.0006876300000000 ] - [ 0.0000007700000000, 0.0000008000000000, 0.0000741800000000 ] - [ 0.0000003800000000, 0.0000006400000000, -0.0002987400000000 ] - [ 0.0109187000000000, -0.0002032200000000, -0.0005237900000000 ] - [ -0.0000015100000000, 0.0000006200000000, 0.0003860500000000 ] - [ -0.0000007700000000, 0.0000006900000000, 0.0005028700000000 ] - [ 0.0000060000000000, 0.0000005900000000, 0.0004351800000000 ] - [ 0.0000001400000000, 0.0000008200000000, 0.0003592400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011595500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006370600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010108800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010010500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013962200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001980800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005656500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007645600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0612580600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009009400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010463100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002327300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013481700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001485600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013950900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004642700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005804000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002849000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002034900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302726800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006459600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006083400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007955100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003616000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011257900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007270300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013176700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003962600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004976300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000331300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006615400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002962900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003135100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006909000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0295142400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000041000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001119500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000316000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000307600000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003865600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010188200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005256800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005463300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001517500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017535400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009909600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008835300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0604095100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006450700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005037600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013082000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001998500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009180600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006111700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012418100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013496500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004979700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005920900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301017500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001329400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001697100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000150800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004190700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007924100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003895900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005393800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003824500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002807700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008164300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001222500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010747600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004615300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000897900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0308434000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007744100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008916700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008350700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007468700000000 ]- atom: 10 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000013700000000, 0.0000001100000000, 0.0003866700000000 ] - [ 0.0000329900000000, -0.0000000300000000, -0.0001873100000000 ] - [ -0.0000024900000000, -0.0000004600000000, 0.0002437700000000 ] - [ -0.0000009500000000, 0.0000001500000000, 0.0002297100000000 ] - [ 0.0000012000000000, 0.0000001900000000, 0.0006245900000000 ] - [ -0.0000006300000000, -0.0000003100000000, -0.0009740000000000 ] - [ -0.0000024100000000, -0.0000004000000000, -0.0002128700000000 ] - [ -0.0000020900000000, -0.0000004600000000, -0.0000591400000000 ] - [ -0.0000018600000000, -0.0000004200000000, -0.0004844200000000 ] - [ -0.0214353100000000, -0.0000000300000000, 0.0001365500000000 ] - [ -0.0000022300000000, -0.0000005100000000, 0.0002736900000000 ] - [ 0.0000013300000000, -0.0000000100000000, -0.0005356900000000 ] - [ 0.0000906800000000, -0.0000000200000000, 0.0005743100000000 ] - [ -0.0000002900000000, 0.0000002200000000, 0.0005336300000000 ] - [ -0.0000021500000000, 0.0000001600000000, -0.0010014500000000 ] - [ -0.0000020700000000, 0.0000000700000000, 0.0008541700000000 ] - [ -0.0000013600000000, 0.0000003600000000, 0.0009653300000000 ] - [ 0.0109309900000000, -0.0002043600000000, -0.0001401900000000 ] - [ -0.0000738900000000, -0.0000003200000000, 0.0001950800000000 ] - [ -0.0000015300000000, 0.0000002300000000, 0.0001952100000000 ] - [ -0.0000003800000000, 0.0000000200000000, -0.0002543100000000 ] - [ -0.0000013400000000, 0.0000001600000000, -0.0002170800000000 ] - [ -0.0002716800000000, 0.0000003500000000, -0.0004033200000000 ] - [ -0.0000005300000000, 0.0000001900000000, 0.0000305700000000 ] - [ -0.0000012500000000, 0.0000001800000000, -0.0009558700000000 ] - [ 0.0000195700000000, 0.0000000400000000, -0.0005583400000000 ] - [ -0.0000001800000000, 0.0000000100000000, -0.0009268500000000 ] - [ -0.0000002500000000, 0.0000000000000000, -0.0000052300000000 ] - [ 0.0107314800000000, 0.0002043300000000, 0.0001407900000000 ] - [ -0.0000010000000000, -0.0000001100000000, 0.0004257900000000 ] - [ -0.0000001200000000, 0.0000000400000000, -0.0002686200000000 ] - [ -0.0000010800000000, 0.0000001800000000, 0.0006875300000000 ] - [ 0.0000002400000000, 0.0000001800000000, 0.0000741400000000 ] - [ -0.0000005300000000, 0.0000000200000000, -0.0002988200000000 ] - [ -0.0000002100000000, 0.0000000300000000, -0.0007711500000000 ] - [ 0.0000045300000000, -0.0000000500000000, 0.0003859600000000 ] - [ -0.0000033600000000, 0.0000000700000000, 0.0005028500000000 ] - [ -0.0000020400000000, 0.0000000200000000, 0.0004350700000000 ] - [ -0.0000011700000000, 0.0000002000000000, 0.0003592200000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011612600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006353800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010107100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010061100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013991900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002024000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005595000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007126600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002907500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0607990700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010407700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002339800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014082500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001533100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013900300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004660900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005839500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301839300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001238600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001897300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006402600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006042700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005688500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003564500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013412500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009589100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013131300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003926300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301275800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000408900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006540700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002996400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003058600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006862200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011582600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000119800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001177800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000468500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000290700000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003842400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010106900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005233800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005454100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001506500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017470600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009822300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008298000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012579700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0610497400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004944400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013052600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002553300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009162900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006133500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012436800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013493500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301845500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002657900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005820900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001298800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001683100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002347600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004161900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005689600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001585500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005415100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003811400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301245200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008123800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001180000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010744800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004566800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000880900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003855400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007851300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008898100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008222800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007488600000000 ]- atom: 11 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000019900000000, 0.0000006800000000, 0.0003868400000000 ] - [ 0.0000016100000000, 0.0000002600000000, -0.0001871500000000 ] - [ 0.0000033200000000, 0.0000001100000000, 0.0002439700000000 ] - [ 0.0000338200000000, 0.0000004400000000, 0.0002298900000000 ] - [ -0.0000001400000000, 0.0000007500000000, 0.0006247500000000 ] - [ 0.0000012700000000, 0.0000002100000000, -0.0009738800000000 ] - [ 0.0000952800000000, 0.0000002300000000, -0.0002129800000000 ] - [ 0.0000034200000000, 0.0000001100000000, -0.0000589600000000 ] - [ 0.0000031500000000, 0.0000001500000000, -0.0004841300000000 ] - [ -0.0000016200000000, 0.0000005500000000, 0.0001302700000000 ] - [ -0.0215150700000000, -0.0000229200000000, 0.0002731900000000 ] - [ -0.0000017300000000, 0.0000005500000000, -0.0005355600000000 ] - [ -0.0000014500000000, 0.0000007000000000, 0.0005746100000000 ] - [ 0.0000003800000000, 0.0000007800000000, 0.0005338000000000 ] - [ 0.0000005100000000, 0.0000007200000000, -0.0010013000000000 ] - [ -0.0000000300000000, 0.0000006300000000, 0.0008543500000000 ] - [ 0.0000012000000000, 0.0000009300000000, 0.0009655500000000 ] - [ 0.0000004100000000, 0.0000004200000000, 0.0001074400000000 ] - [ 0.0000007900000000, 0.0000009700000000, 0.0001951000000000 ] - [ 0.0000005800000000, 0.0000007900000000, 0.0001953800000000 ] - [ -0.0002758800000000, 0.0000004200000000, -0.0002542700000000 ] - [ 0.0000006800000000, 0.0000007200000000, -0.0002169000000000 ] - [ 0.0000008400000000, 0.0000007300000000, -0.0004028200000000 ] - [ 0.0000007900000000, 0.0000007600000000, 0.0000307700000000 ] - [ 0.0000008100000000, 0.0000007500000000, -0.0009556700000000 ] - [ 0.0000011900000000, 0.0000005900000000, -0.0005581900000000 ] - [ 0.0000011000000000, 0.0000005700000000, -0.0009266500000000 ] - [ 0.0107452600000000, -0.0002037300000000, 0.0002425300000000 ] - [ -0.0000009700000000, 0.0000007500000000, -0.0001064200000000 ] - [ -0.0000016400000000, 0.0000004500000000, 0.0004259800000000 ] - [ 0.0000005300000000, 0.0000006100000000, -0.0002684200000000 ] - [ 0.0000208800000000, 0.0000007200000000, 0.0006877600000000 ] - [ -0.0000728000000000, 0.0000014500000000, 0.0000744800000000 ] - [ 0.0000005800000000, 0.0000005700000000, -0.0002986000000000 ] - [ -0.0000005200000000, 0.0000005900000000, -0.0007709700000000 ] - [ 0.0000001700000000, 0.0000005600000000, 0.0003861700000000 ] - [ 0.0109493100000000, 0.0002050200000000, 0.0002554400000000 ] - [ 0.0000003400000000, 0.0000005700000000, 0.0004352500000000 ] - [ 0.0000056400000000, 0.0000008300000000, 0.0003593400000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011556400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005862000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010118700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010489200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013929300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002077100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006039700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007138800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002902700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008943600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0605501600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002281400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013468900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001494900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013914300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004667300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005824700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002801600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001871500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001923300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004183100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006055500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007930100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003595200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013435400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009484700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013162300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302239800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004977600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000383200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006595300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002844400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000050400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006886400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011621200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000013400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305747500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000459200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000412800000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003817700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009625300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005279900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005935200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001475800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017457700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010318000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008338200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012594000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006377700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0611887100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013027600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001977500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009175500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006142100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012401200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013477600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004941900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005767200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005818500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000901800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001675500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000172500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004172900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005695300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001715000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005404400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300202300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002811900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008124100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001209500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010876900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001409200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000884300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003836500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007728000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0297860200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008212100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007581400000000 ]- atom: 12 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000921800000000, -0.0000000300000000, 0.0003863100000000 ] - [ -0.0000006800000000, -0.0000003000000000, -0.0001875600000000 ] - [ -0.0000025100000000, -0.0000004500000000, 0.0002436400000000 ] - [ -0.0000006400000000, 0.0000001800000000, 0.0002294100000000 ] - [ -0.0000015200000000, 0.0000001800000000, 0.0006244900000000 ] - [ 0.0000331300000000, -0.0000000100000000, -0.0009740700000000 ] - [ -0.0000021500000000, -0.0000004000000000, -0.0002131200000000 ] - [ -0.0000027200000000, -0.0000004500000000, -0.0000592800000000 ] - [ -0.0000008600000000, -0.0000004100000000, -0.0004845300000000 ] - [ 0.0000010800000000, 0.0000000000000000, 0.0001298700000000 ] - [ -0.0000023400000000, -0.0000005000000000, 0.0002734600000000 ] - [ -0.0214573700000000, -0.0000005000000000, -0.0005228000000000 ] - [ 0.0000009100000000, 0.0000001400000000, 0.0005742500000000 ] - [ -0.0000000300000000, 0.0000002300000000, 0.0005334900000000 ] - [ -0.0000013200000000, 0.0000001700000000, -0.0010017100000000 ] - [ -0.0000036000000000, 0.0000000800000000, 0.0008540300000000 ] - [ -0.0000751100000000, -0.0000003800000000, 0.0009654100000000 ] - [ -0.0000004800000000, -0.0000001500000000, 0.0001071400000000 ] - [ -0.0000001000000000, 0.0000004200000000, 0.0001947900000000 ] - [ -0.0000016900000000, 0.0000002400000000, 0.0001950600000000 ] - [ -0.0000004900000000, 0.0000000400000000, -0.0002544900000000 ] - [ -0.0002782500000000, 0.0000003400000000, -0.0002175400000000 ] - [ -0.0000023600000000, 0.0000001800000000, -0.0004032200000000 ] - [ 0.0107482500000000, 0.0002045800000000, 0.0002779500000000 ] - [ -0.0000014800000000, 0.0000001800000000, -0.0009559600000000 ] - [ -0.0000005100000000, 0.0000000400000000, -0.0005585800000000 ] - [ -0.0000005500000000, 0.0000000200000000, -0.0009270700000000 ] - [ -0.0000023000000000, 0.0000000200000000, -0.0000053800000000 ] - [ -0.0000015900000000, 0.0000002000000000, -0.0001068200000000 ] - [ 0.0109477000000000, -0.0002044800000000, 0.0001780700000000 ] - [ 0.0000044600000000, 0.0000000000000000, -0.0002688100000000 ] - [ -0.0000007600000000, 0.0000001800000000, 0.0006873300000000 ] - [ -0.0000004200000000, 0.0000001900000000, 0.0000740600000000 ] - [ 0.0000196500000000, 0.0000000500000000, -0.0002990100000000 ] - [ -0.0000007700000000, 0.0000000500000000, -0.0007713800000000 ] - [ -0.0000006800000000, 0.0000000200000000, 0.0003859100000000 ] - [ -0.0000015800000000, 0.0000000800000000, 0.0005027400000000 ] - [ -0.0000006300000000, 0.0000000300000000, 0.0004348100000000 ] - [ -0.0000018500000000, 0.0000002100000000, 0.0003591000000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0012205900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005852400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010116100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010059100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014023700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001511100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005625700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007123200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002889900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009006200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010412600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0615113300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013506700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001548100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013878700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004697600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009029200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002767400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001855400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001902100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006400300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003763100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007904000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302628500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013430800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009451400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013130200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003921500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004925200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304988400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006655000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003012700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003038100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006978900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011572300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000019500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001190700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000506400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000243700000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004455600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009593300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005230300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005463800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001525600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017971600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009846700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008285500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012553100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006393800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004935200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0603979700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001978800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009160000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006149800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012416000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010289200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004946100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005789600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005839500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001303200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000544000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000168100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299852500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005656600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001719000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005410300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003811800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002785000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0298606200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001306400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010735100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004558800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001006000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003860000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007731400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008897800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008189300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007454800000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000002100000000, 0.0000001000000000, 0.0003869800000000 ] - [ -0.0000024300000000, -0.0000003100000000, -0.0001871500000000 ] - [ -0.0000017800000000, -0.0000004700000000, 0.0002441100000000 ] - [ 0.0000909000000000, -0.0000000200000000, 0.0002297700000000 ] - [ 0.0000002500000000, 0.0000001800000000, 0.0006248500000000 ] - [ -0.0000035100000000, -0.0000003100000000, -0.0009736700000000 ] - [ -0.0000032200000000, -0.0000004100000000, -0.0002125500000000 ] - [ -0.0000034800000000, -0.0000004600000000, -0.0000588400000000 ] - [ -0.0000031100000000, -0.0000004300000000, -0.0004840800000000 ] - [ 0.0000896300000000, 0.0000001100000000, 0.0001305500000000 ] - [ -0.0000029400000000, -0.0000005200000000, 0.0002740600000000 ] - [ 0.0000001100000000, -0.0000000200000000, -0.0005354200000000 ] - [ -0.0214053100000000, 0.0000001900000000, 0.0005685700000000 ] - [ -0.0000010700000000, 0.0000002100000000, 0.0005338700000000 ] - [ -0.0000024200000000, 0.0000001400000000, -0.0010010800000000 ] - [ -0.0000043700000000, 0.0000000600000000, 0.0008544400000000 ] - [ -0.0000021400000000, 0.0000003500000000, 0.0009656000000000 ] - [ -0.0002730800000000, -0.0000003200000000, 0.0001078300000000 ] - [ -0.0000038400000000, 0.0000004000000000, 0.0001951900000000 ] - [ -0.0000022900000000, 0.0000002300000000, 0.0001954900000000 ] - [ -0.0000013000000000, 0.0000000100000000, -0.0002539000000000 ] - [ -0.0000016000000000, 0.0000001600000000, -0.0002166800000000 ] - [ 0.0109039300000000, 0.0002038900000000, -0.0001554900000000 ] - [ -0.0000018800000000, 0.0000001800000000, 0.0000309400000000 ] - [ -0.0000031300000000, 0.0000001700000000, -0.0009555900000000 ] - [ -0.0000011300000000, 0.0000000100000000, -0.0005579400000000 ] - [ -0.0000029400000000, 0.0000000100000000, -0.0009264500000000 ] - [ -0.0000015500000000, 0.0000000000000000, -0.0000048400000000 ] - [ 0.0000045000000000, 0.0000002400000000, -0.0001061600000000 ] - [ -0.0000028400000000, -0.0000001200000000, 0.0004260400000000 ] - [ -0.0000019900000000, 0.0000000400000000, -0.0002683500000000 ] - [ -0.0002736000000000, 0.0000003400000000, 0.0006877500000000 ] - [ 0.0000031100000000, 0.0000001100000000, 0.0000743300000000 ] - [ -0.0000014500000000, 0.0000000100000000, -0.0002984200000000 ] - [ -0.0000031000000000, 0.0000000300000000, -0.0007707400000000 ] - [ 0.0109264000000000, -0.0002040500000000, 0.0001388900000000 ] - [ -0.0000019700000000, 0.0000000600000000, 0.0005031300000000 ] - [ -0.0000012100000000, 0.0000000100000000, 0.0004354600000000 ] - [ -0.0000043900000000, 0.0000001900000000, 0.0003594800000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0011661100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005926800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010171600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010581400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014036600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001982100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005652300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007175300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002933000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009639200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010487300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002392100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0603770700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001530000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013886500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004656300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005819100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000623000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001873900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001905300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006416700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006038600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0298869800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003556700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013445000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009456000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013138100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003912700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005043500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000393800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006542000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005238100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003189500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006848300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011593400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304681200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001151600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000491500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000265900000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003896400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009669300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005288000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005983700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001554400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017502100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009872100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008336700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012597000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007019400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005014500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013110300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0614880300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009172000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006132300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012442800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013520500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002749100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005802100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005832000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001331000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001696400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304758500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004174100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005652400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001703500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005387000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003817700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002919900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008140400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001186500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008560600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004703200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000882200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003825400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299119200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008926300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008216700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007468300000000 ]- atom: 14 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000055100000000, 0.0000006200000000, 0.0003872400000000 ] - [ 0.0000006600000000, -0.0000002400000000, -0.0001868900000000 ] - [ -0.0000725500000000, 0.0000011800000000, 0.0002413700000000 ] - [ -0.0000000600000000, 0.0000002400000000, 0.0002300800000000 ] - [ 0.0109586600000000, 0.0002036400000000, 0.0008655000000000 ] - [ -0.0000006900000000, -0.0000002300000000, -0.0009734800000000 ] - [ 0.0000014800000000, -0.0000003200000000, -0.0002124100000000 ] - [ -0.0000005400000000, -0.0000004000000000, -0.0000586500000000 ] - [ 0.0000013900000000, -0.0000003500000000, -0.0004838900000000 ] - [ 0.0000002600000000, 0.0000000600000000, 0.0001305400000000 ] - [ 0.0000007800000000, -0.0000004300000000, 0.0002741500000000 ] - [ 0.0000001600000000, 0.0000000700000000, -0.0005352500000000 ] - [ 0.0000006000000000, 0.0000002200000000, 0.0005748900000000 ] - [ -0.0127552800000000, -0.0001475900000000, 0.0002868000000000 ] - [ 0.0009142400000000, -0.0000510600000000, -0.0009788200000000 ] - [ 0.0000874600000000, 0.0000003700000000, 0.0008538600000000 ] - [ -0.0000004200000000, 0.0000004400000000, 0.0009659300000000 ] - [ 0.0000011800000000, -0.0000000800000000, 0.0001077600000000 ] - [ -0.0000008100000000, 0.0000004800000000, 0.0001955300000000 ] - [ -0.0000005100000000, 0.0000003100000000, 0.0001957300000000 ] - [ 0.0000004200000000, 0.0000001000000000, -0.0002548000000000 ] - [ -0.0000080600000000, 0.0000002800000000, -0.0002175900000000 ] - [ -0.0000003500000000, 0.0000002500000000, -0.0004035400000000 ] - [ -0.0000003400000000, 0.0000002700000000, 0.0000301800000000 ] - [ -0.0000012300000000, 0.0000002400000000, -0.0009553100000000 ] - [ 0.0000008100000000, 0.0000000900000000, -0.0005589500000000 ] - [ 0.0008993000000000, -0.0000086200000000, -0.0009405400000000 ] - [ -0.0000001300000000, 0.0000000800000000, -0.0000056200000000 ] - [ -0.0000001300000000, 0.0000002700000000, -0.0001070300000000 ] - [ 0.0000005200000000, -0.0000000300000000, 0.0004262300000000 ] - [ -0.0000355300000000, -0.0000011700000000, -0.0002680000000000 ] - [ 0.0000002100000000, 0.0000002500000000, 0.0006869700000000 ] - [ 0.0000015200000000, 0.0000002500000000, 0.0000747700000000 ] - [ 0.0000006200000000, 0.0000000900000000, -0.0002993400000000 ] - [ -0.0000002700000000, 0.0000001100000000, -0.0007716500000000 ] - [ 0.0000008800000000, 0.0000000800000000, 0.0003865600000000 ] - [ -0.0000006600000000, 0.0000001400000000, 0.0005033200000000 ] - [ 0.0000018500000000, 0.0000001100000000, 0.0004346100000000 ] - [ -0.0000009300000000, 0.0000002700000000, 0.0003597400000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000064000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005709200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001779400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001541100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0309218800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013586200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005951100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004415600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008671800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002517000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001088400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009165400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001933900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0419736200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0092583700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010833100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011556400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003016500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003851000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003875200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000636100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000280200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002126200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002206700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007641800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003669900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008355200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001852300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000842400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006198200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000404100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008791400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002656900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001074400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005808900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005793100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006953000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006279800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005510600000000 ]- atom: 14 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007841900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001970200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003020800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006134000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0294460400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005894200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001737300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003259700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000987600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005122200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006565900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001542500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009595100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0426786100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0110769900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006248700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007775100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000844000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000070500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000051400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004474600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004084800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005960600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001618700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011458000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007512100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027405800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001977700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002996700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002341600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004957200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004944800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001147600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004910900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009635800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001947400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003129300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002406100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001691000000000 ]- atom: 15 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002738000000000, -0.0000001000000000, 0.0003895300000000 ] - [ 0.0000006700000000, -0.0000003900000000, -0.0001875900000000 ] - [ 0.0000222800000000, -0.0000006400000000, 0.0002435600000000 ] - [ 0.0000007500000000, 0.0000000800000000, 0.0002293800000000 ] - [ 0.0109143300000000, -0.0002028100000000, 0.0003841500000000 ] - [ 0.0000006100000000, -0.0000003900000000, -0.0009741900000000 ] - [ 0.0000009000000000, -0.0000004800000000, -0.0002130700000000 ] - [ 0.0000009900000000, -0.0000005400000000, -0.0000593000000000 ] - [ 0.0000013400000000, -0.0000004900000000, -0.0004845500000000 ] - [ -0.0000002900000000, -0.0000000900000000, 0.0001298900000000 ] - [ 0.0000013400000000, -0.0000005800000000, 0.0002735000000000 ] - [ 0.0000008400000000, -0.0000000900000000, -0.0005359100000000 ] - [ -0.0000000500000000, 0.0000000600000000, 0.0005742500000000 ] - [ 0.0009148700000000, 0.0000513100000000, 0.0005103400000000 ] - [ -0.0126805800000000, 0.0001471300000000, -0.0007530300000000 ] - [ 0.0000014000000000, 0.0000001300000000, 0.0008544400000000 ] - [ -0.0000003200000000, 0.0000002900000000, 0.0009655400000000 ] - [ -0.0000000300000000, -0.0000002200000000, 0.0001075000000000 ] - [ 0.0000003500000000, 0.0000003300000000, 0.0001951200000000 ] - [ 0.0000004700000000, 0.0000001500000000, 0.0001954200000000 ] - [ 0.0000013100000000, -0.0000000500000000, -0.0002538400000000 ] - [ -0.0000384900000000, 0.0000005400000000, -0.0002159200000000 ] - [ 0.0000011200000000, 0.0000000900000000, -0.0004025700000000 ] - [ 0.0000006800000000, 0.0000001100000000, 0.0000309900000000 ] - [ -0.0000004600000000, 0.0000000900000000, -0.0009556400000000 ] - [ 0.0000013500000000, -0.0000000500000000, -0.0005578800000000 ] - [ -0.0000697000000000, 0.0000007600000000, -0.0009266100000000 ] - [ 0.0000012500000000, -0.0000000700000000, -0.0000047800000000 ] - [ 0.0000007100000000, 0.0000001200000000, -0.0001061700000000 ] - [ -0.0000021600000000, -0.0000001700000000, 0.0004259500000000 ] - [ 0.0011946600000000, 0.0000058400000000, -0.0002561300000000 ] - [ 0.0000005000000000, 0.0000001000000000, 0.0006880100000000 ] - [ 0.0000002600000000, 0.0000001100000000, 0.0000743300000000 ] - [ 0.0000005100000000, -0.0000000600000000, -0.0002983300000000 ] - [ 0.0000005700000000, -0.0000000400000000, -0.0007707000000000 ] - [ 0.0000007000000000, -0.0000000700000000, 0.0003862400000000 ] - [ -0.0000001700000000, -0.0000000100000000, 0.0005031000000000 ] - [ 0.0000007100000000, -0.0000000500000000, 0.0004355200000000 ] - [ 0.0000005600000000, 0.0000001200000000, 0.0003594600000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0002235800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005782100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001566500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001606900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0306900700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013648600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006013900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004483000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008735800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002592300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001147000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009233500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001853900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0106109100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0431093300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010443200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011590900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003034000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003892600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003913200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000594100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000113500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002085400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002251400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007603700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003624200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006854700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001901100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000885900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006302500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015871600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008827100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002683500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001037700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005770100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005823300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006990600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006299900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005548900000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0005562000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002017800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006428300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006174200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0296702600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005857400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001769900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003298000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000950600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005172900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006600600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001499400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009645400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0097245000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0414624800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006675900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007755300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000847700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000045700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000030000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004515700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004463800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006000500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001663500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011478500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007558200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011700300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002025500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003040700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002252100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020719300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004908300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001158500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004948200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009675800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001933900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003104700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002383400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001668200000000 ]- atom: 16 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000003600000000, 0.0000001000000000, 0.0003871200000000 ] - [ 0.0000005300000000, -0.0000003300000000, -0.0001869300000000 ] - [ 0.0109500600000000, -0.0002040700000000, 0.0004850700000000 ] - [ -0.0000018800000000, 0.0000001500000000, 0.0002300400000000 ] - [ -0.0000291800000000, -0.0000000600000000, 0.0006251300000000 ] - [ 0.0000003000000000, -0.0000003300000000, -0.0009735300000000 ] - [ 0.0000003800000000, -0.0000004200000000, -0.0002124200000000 ] - [ -0.0002780500000000, -0.0000006000000000, -0.0000616900000000 ] - [ 0.0000015400000000, -0.0000004400000000, -0.0004838900000000 ] - [ -0.0000004400000000, -0.0000000300000000, 0.0001305400000000 ] - [ 0.0000005600000000, -0.0000005200000000, 0.0002741500000000 ] - [ -0.0000017400000000, -0.0000000200000000, -0.0005352500000000 ] - [ -0.0000011900000000, 0.0000001200000000, 0.0005749000000000 ] - [ 0.0000878700000000, 0.0000008300000000, 0.0005338200000000 ] - [ 0.0000012300000000, 0.0000000500000000, -0.0010013900000000 ] - [ -0.0127211100000000, 0.0001449200000000, 0.0006058700000000 ] - [ 0.0000009800000000, 0.0000003500000000, 0.0009652300000000 ] - [ -0.0000008300000000, -0.0000001600000000, 0.0001071600000000 ] - [ 0.0000001500000000, 0.0000004000000000, 0.0001948000000000 ] - [ 0.0000004400000000, 0.0000002200000000, 0.0001951000000000 ] - [ -0.0000003100000000, 0.0000000100000000, -0.0002542000000000 ] - [ -0.0000009200000000, 0.0000001400000000, -0.0002169700000000 ] - [ -0.0000002900000000, 0.0000001500000000, -0.0004029300000000 ] - [ 0.0000001700000000, 0.0000001800000000, 0.0000306600000000 ] - [ -0.0000391200000000, 0.0000006200000000, -0.0009566600000000 ] - [ -0.0000004000000000, 0.0000000000000000, -0.0005582500000000 ] - [ 0.0008145000000000, 0.0000520800000000, -0.0009031200000000 ] - [ 0.0000003800000000, -0.0000000100000000, -0.0000051300000000 ] - [ 0.0000003700000000, 0.0000001900000000, -0.0001065200000000 ] - [ -0.0000004200000000, -0.0000001300000000, 0.0004256900000000 ] - [ -0.0000005500000000, 0.0000000300000000, -0.0002687200000000 ] - [ -0.0000005400000000, 0.0000001600000000, 0.0006876500000000 ] - [ -0.0000001900000000, 0.0000001700000000, 0.0000740400000000 ] - [ 0.0000002300000000, 0.0000000000000000, -0.0002987100000000 ] - [ -0.0000024800000000, 0.0000000300000000, -0.0007709900000000 ] - [ -0.0000003500000000, -0.0000000100000000, 0.0003859200000000 ] - [ 0.0000007800000000, 0.0000000500000000, 0.0005027700000000 ] - [ 0.0012193700000000, 0.0000059900000000, 0.0004225000000000 ] - [ 0.0000004900000000, 0.0000001900000000, 0.0003591400000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000005400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005750700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305368400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001599500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002188600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013621300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005989000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002251400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008702400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002561600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001121500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009223600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001869700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007636500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008135500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0416016400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011591000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003015700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003877700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003909300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000621400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000251500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002104500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002226700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007278600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003654700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0093313100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001874900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000858800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006200200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000743000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008808800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002658200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001049500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005701200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005803500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006981800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022651700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005548000000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007778100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002012400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0298217300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006191300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010298600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005859600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001772400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001043100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000958400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005164800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006599400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001485600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009655100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003059200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011915300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0429571800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007742000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000840600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000046300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000022400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004499000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004124800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005992400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001649400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011830100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007538200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0110031400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002010900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003025000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002342600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004609600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004917200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001147200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004946500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009756100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001941100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003102300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014479600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001656700000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000016200000000, 0.0000000900000000, 0.0003871500000000 ] - [ 0.0000006900000000, -0.0000003300000000, -0.0001869300000000 ] - [ 0.0000006300000000, -0.0000004800000000, 0.0002443000000000 ] - [ -0.0000016800000000, 0.0000001500000000, 0.0002300500000000 ] - [ 0.0000003100000000, 0.0000001600000000, 0.0006250500000000 ] - [ 0.0109488900000000, -0.0002036000000000, -0.0007332000000000 ] - [ 0.0000063000000000, -0.0000008600000000, -0.0002123200000000 ] - [ 0.0000010000000000, -0.0000004800000000, -0.0000586300000000 ] - [ 0.0000013900000000, -0.0000004500000000, -0.0004838900000000 ] - [ -0.0000002200000000, -0.0000000300000000, 0.0001305500000000 ] - [ 0.0000008800000000, -0.0000005300000000, 0.0002741700000000 ] - [ -0.0000734500000000, -0.0000016300000000, -0.0005381800000000 ] - [ 0.0000004000000000, 0.0000001200000000, 0.0005749100000000 ] - [ -0.0000002100000000, 0.0000002000000000, 0.0005334600000000 ] - [ -0.0000007200000000, 0.0000001400000000, -0.0010013100000000 ] - [ 0.0000007600000000, 0.0000000500000000, 0.0008540800000000 ] - [ -0.0127389000000000, 0.0001447700000000, 0.0007179300000000 ] - [ -0.0000004300000000, -0.0000001600000000, 0.0001071700000000 ] - [ 0.0000010500000000, 0.0000003900000000, 0.0001947600000000 ] - [ 0.0000003600000000, 0.0000002100000000, 0.0001951000000000 ] - [ -0.0000079200000000, -0.0000000400000000, -0.0002541500000000 ] - [ 0.0000014000000000, 0.0000001300000000, -0.0002168700000000 ] - [ -0.0000000100000000, 0.0000001500000000, -0.0004028700000000 ] - [ 0.0008960900000000, 0.0000088500000000, 0.0000174100000000 ] - [ 0.0000007400000000, 0.0000001500000000, -0.0009559900000000 ] - [ 0.0000003700000000, 0.0000000000000000, -0.0005581600000000 ] - [ 0.0000006600000000, 0.0000000000000000, -0.0009267400000000 ] - [ -0.0000001800000000, -0.0000000200000000, -0.0000051000000000 ] - [ -0.0000005800000000, 0.0000001800000000, -0.0001064900000000 ] - [ 0.0000874600000000, -0.0000003600000000, 0.0004249600000000 ] - [ -0.0000009700000000, 0.0000000300000000, -0.0002687400000000 ] - [ 0.0000001500000000, 0.0000001600000000, 0.0006877300000000 ] - [ -0.0000001900000000, 0.0000001700000000, 0.0000740000000000 ] - [ 0.0009146900000000, 0.0000513000000000, -0.0002754200000000 ] - [ -0.0000002000000000, 0.0000000200000000, -0.0007710000000000 ] - [ -0.0000007100000000, -0.0000000100000000, 0.0003859100000000 ] - [ 0.0000000000000000, 0.0000000500000000, 0.0005027900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004352200000000 ] - [ -0.0000362200000000, 0.0000014900000000, 0.0003592800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000049100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005709800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001369800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001548300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002408000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0293186100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006068100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004416000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008664400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002526200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001074900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006030000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001913000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007229500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008100300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010472100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0415258500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002993200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003855600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003879100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000649500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000242700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002118800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017862000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007626400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003663900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007361200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001850800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000839300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006545000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000775500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008790100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002636800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0099627400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005802200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005774900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006963300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006262200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005868800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007717200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001969100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006256800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006139700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010082000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0310398200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001846300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003252900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001000100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005129800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006552000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004772600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009606400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003458700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011941400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006624000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0431111100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000830500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000058900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000040300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004459800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004123900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005968200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017768700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011478300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007520300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011197400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001976000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002995900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001963600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004587900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004943200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001134400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103759700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009643700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001959100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003107900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002419200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001318800000000 ]- atom: 18 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001200000000, 0.0000002200000000, 0.0003870800000000 ] - [ -0.0000275300000000, 0.0000000500000000, -0.0001868800000000 ] - [ 0.0000014100000000, -0.0000003500000000, 0.0002442100000000 ] - [ 0.0000008400000000, 0.0000002800000000, 0.0002299800000000 ] - [ -0.0000003200000000, 0.0000002900000000, 0.0006249800000000 ] - [ -0.0000001200000000, -0.0000002000000000, -0.0009735900000000 ] - [ 0.0000006600000000, -0.0000003000000000, -0.0002124700000000 ] - [ -0.0000007100000000, -0.0000003500000000, -0.0000587000000000 ] - [ 0.0000007400000000, -0.0000003100000000, -0.0004839500000000 ] - [ 0.0109309700000000, 0.0002035200000000, 0.0003711200000000 ] - [ 0.0000013100000000, -0.0000004000000000, 0.0002740900000000 ] - [ 0.0000006100000000, 0.0000001100000000, -0.0005353100000000 ] - [ -0.0002716500000000, 0.0000003800000000, 0.0005718000000000 ] - [ 0.0000011500000000, 0.0000003300000000, 0.0005335900000000 ] - [ -0.0000004500000000, 0.0000002600000000, -0.0010015700000000 ] - [ -0.0000009600000000, 0.0000001700000000, 0.0008541200000000 ] - [ -0.0000004200000000, 0.0000004700000000, 0.0009653200000000 ] - [ -0.0126792700000000, -0.0001498100000000, -0.0001392200000000 ] - [ 0.0000857800000000, -0.0000000900000000, 0.0001952000000000 ] - [ -0.0000007200000000, 0.0000003400000000, 0.0001951500000000 ] - [ 0.0000008500000000, 0.0000001300000000, -0.0002543800000000 ] - [ 0.0000002400000000, 0.0000002600000000, -0.0002171500000000 ] - [ 0.0011816200000000, -0.0000054800000000, -0.0004152900000000 ] - [ -0.0000003400000000, 0.0000002900000000, 0.0000305100000000 ] - [ -0.0000005500000000, 0.0000002700000000, -0.0009559100000000 ] - [ 0.0000016800000000, 0.0000002100000000, -0.0005584400000000 ] - [ 0.0000004100000000, 0.0000001200000000, -0.0009269200000000 ] - [ -0.0000001300000000, 0.0000001100000000, -0.0000052800000000 ] - [ 0.0008127800000000, -0.0000517900000000, -0.0000830400000000 ] - [ 0.0000008100000000, 0.0000000000000000, 0.0004257500000000 ] - [ 0.0000014400000000, 0.0000001600000000, -0.0002686800000000 ] - [ -0.0000025200000000, 0.0000002700000000, 0.0006875400000000 ] - [ 0.0000010300000000, 0.0000003000000000, 0.0000741400000000 ] - [ 0.0000001700000000, 0.0000001200000000, -0.0002988800000000 ] - [ -0.0000004300000000, 0.0000001400000000, -0.0007712300000000 ] - [ -0.0000373000000000, -0.0000003300000000, 0.0003853000000000 ] - [ -0.0000006500000000, 0.0000001700000000, 0.0005028300000000 ] - [ 0.0000006300000000, 0.0000001200000000, 0.0004349800000000 ] - [ -0.0000009600000000, 0.0000003000000000, 0.0003591900000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000005100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005928600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001425200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001579700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002358700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013638400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005991900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004465400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008724600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0304273900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001128300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009209400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004030900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007280000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008084200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010486300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011582100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422742900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004242900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003905600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000622700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000248300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013592800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002225500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007612600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003708000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007343300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001864900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101470300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006216000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000728900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008888300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002683600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001053600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005792900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006139800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006976100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006271000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005535600000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007762600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002184100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006305500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006166400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010126800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005849900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001768700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003299500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000941900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299417600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006598600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001505000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007439600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003411300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011969900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006612000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007743600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0421572800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000332200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000016100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004501200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004131100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0022178200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001651200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011491300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007489200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011227400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002003800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101785100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002317800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004632300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004833500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001180800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004945500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009666300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001581400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003099600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002399700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001660400000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000002200000000, 0.0000001000000000, 0.0003871200000000 ] - [ 0.0109421600000000, -0.0002035700000000, 0.0000533300000000 ] - [ 0.0000008500000000, -0.0000004900000000, 0.0002442700000000 ] - [ 0.0000003400000000, 0.0000001400000000, 0.0002300300000000 ] - [ 0.0000004600000000, 0.0000001700000000, 0.0006250300000000 ] - [ 0.0000013700000000, -0.0000003400000000, -0.0009735400000000 ] - [ 0.0000010400000000, -0.0000004200000000, -0.0002124200000000 ] - [ 0.0000009000000000, -0.0000004800000000, -0.0000586600000000 ] - [ 0.0000062600000000, -0.0000008700000000, -0.0004838300000000 ] - [ -0.0000724800000000, -0.0000016000000000, 0.0001276400000000 ] - [ 0.0000006800000000, -0.0000005300000000, 0.0002741400000000 ] - [ 0.0000006600000000, -0.0000000200000000, -0.0005352600000000 ] - [ -0.0000015900000000, 0.0000001200000000, 0.0005748800000000 ] - [ -0.0000005600000000, 0.0000002100000000, 0.0005334100000000 ] - [ -0.0000000300000000, 0.0000001400000000, -0.0010013000000000 ] - [ 0.0000000700000000, 0.0000000500000000, 0.0008540300000000 ] - [ 0.0000004900000000, 0.0000003400000000, 0.0009651500000000 ] - [ 0.0000857900000000, -0.0000003900000000, 0.0001063800000000 ] - [ -0.0127106400000000, 0.0001449500000000, -0.0000520200000000 ] - [ -0.0000357300000000, 0.0000015000000000, 0.0001951800000000 ] - [ 0.0000000500000000, 0.0000000000000000, -0.0002541200000000 ] - [ -0.0000005800000000, 0.0000001400000000, -0.0002169000000000 ] - [ 0.0000013800000000, 0.0000001300000000, -0.0004028100000000 ] - [ 0.0000000900000000, 0.0000001700000000, 0.0000306900000000 ] - [ 0.0000000700000000, 0.0000001500000000, -0.0009560400000000 ] - [ 0.0009120700000000, 0.0000513200000000, -0.0005349600000000 ] - [ 0.0000004600000000, 0.0000000000000000, -0.0009267200000000 ] - [ 0.0000006900000000, -0.0000000200000000, -0.0000050900000000 ] - [ 0.0008755200000000, 0.0000086800000000, -0.0001194500000000 ] - [ -0.0000006500000000, -0.0000001300000000, 0.0004256600000000 ] - [ -0.0000003300000000, 0.0000000300000000, -0.0002687900000000 ] - [ -0.0000007200000000, 0.0000001500000000, 0.0006877400000000 ] - [ -0.0000002000000000, 0.0000001700000000, 0.0000739500000000 ] - [ -0.0000001800000000, 0.0000000000000000, -0.0002986200000000 ] - [ -0.0000078300000000, -0.0000000300000000, -0.0007710000000000 ] - [ -0.0000009600000000, -0.0000000100000000, 0.0003858700000000 ] - [ 0.0000007600000000, 0.0000000500000000, 0.0005027300000000 ] - [ -0.0000001900000000, -0.0000000100000000, 0.0004352300000000 ] - [ 0.0000007400000000, 0.0000001900000000, 0.0003590700000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000035300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301115400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001377400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001551700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002395500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013576200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005948700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004417100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008792200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000549100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001080400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009170500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001918600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007240500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008101500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010475000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011569900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003361900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422402600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004241000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000642200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000274100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002110400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002206000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007614700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0096981400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007370700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001847600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016009100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006180300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000759600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008779800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002647700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001077900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005825100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005784600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006971900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006247700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005534600000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007735200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302589800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006263400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006141700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010093900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005906100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001730300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003256500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000868600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001960800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006557300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001539700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009604000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003456900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011946100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006630900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007761200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001208800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0422795000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000316800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004474700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004099100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005983000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001626800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011482400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0106314300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011194100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001981600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018657000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002361600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004594200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004950200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001139500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004914400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009628500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001957800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003111500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002429000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001668400000000 ]- atom: 20 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000003600000000, 0.0000001000000000, 0.0003871500000000 ] - [ -0.0002714000000000, -0.0000004500000000, -0.0001898800000000 ] - [ 0.0000007800000000, -0.0000004800000000, 0.0002442800000000 ] - [ -0.0000004200000000, 0.0000001500000000, 0.0002300700000000 ] - [ -0.0000017500000000, 0.0000001800000000, 0.0006250700000000 ] - [ 0.0000005700000000, -0.0000003300000000, -0.0009734900000000 ] - [ 0.0000013500000000, -0.0000004300000000, -0.0002123900000000 ] - [ 0.0000067400000000, -0.0000009000000000, -0.0000585300000000 ] - [ 0.0109277500000000, -0.0002036300000000, -0.0002434600000000 ] - [ -0.0000002900000000, -0.0000000300000000, 0.0001305800000000 ] - [ 0.0000009200000000, -0.0000005200000000, 0.0002741600000000 ] - [ -0.0000002800000000, -0.0000000200000000, -0.0005352300000000 ] - [ 0.0000002100000000, 0.0000001200000000, 0.0005749200000000 ] - [ -0.0000002300000000, 0.0000002000000000, 0.0005335800000000 ] - [ 0.0000001100000000, 0.0000001500000000, -0.0010014000000000 ] - [ 0.0000000200000000, 0.0000000500000000, 0.0008541500000000 ] - [ 0.0000009600000000, 0.0000003500000000, 0.0009653000000000 ] - [ -0.0000006000000000, -0.0000001500000000, 0.0001072200000000 ] - [ -0.0000357700000000, 0.0000008600000000, 0.0001942000000000 ] - [ -0.0126630400000000, 0.0001450700000000, -0.0000539600000000 ] - [ -0.0000002200000000, 0.0000000000000000, -0.0002542100000000 ] - [ -0.0000000800000000, 0.0000001400000000, -0.0002170100000000 ] - [ -0.0000007100000000, 0.0000001500000000, -0.0004029500000000 ] - [ -0.0000006300000000, 0.0000001700000000, 0.0000306200000000 ] - [ -0.0000387800000000, 0.0000014400000000, -0.0009557600000000 ] - [ 0.0011829200000000, 0.0000058300000000, -0.0005705300000000 ] - [ -0.0000002800000000, 0.0000000000000000, -0.0009267700000000 ] - [ 0.0000000100000000, -0.0000000100000000, -0.0000051200000000 ] - [ -0.0000035600000000, 0.0000001800000000, -0.0001064500000000 ] - [ -0.0000004700000000, -0.0000001200000000, 0.0004257800000000 ] - [ -0.0000007400000000, 0.0000000400000000, -0.0002686500000000 ] - [ 0.0000003000000000, 0.0000001700000000, 0.0006876400000000 ] - [ -0.0000006700000000, 0.0000001700000000, 0.0000741000000000 ] - [ 0.0000003300000000, 0.0000000000000000, -0.0002987400000000 ] - [ 0.0009037100000000, 0.0000513800000000, -0.0007474400000000 ] - [ -0.0000004100000000, -0.0000000100000000, 0.0003859900000000 ] - [ 0.0000006000000000, 0.0000000600000000, 0.0005028400000000 ] - [ -0.0000076400000000, -0.0000000500000000, 0.0004351000000000 ] - [ 0.0000003100000000, 0.0000002000000000, 0.0003592100000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000001600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003559900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001410200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001585800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002358700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013619700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005979700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004572800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0298191000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002547000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001118900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009224200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001877100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007266500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008080100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010508400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011595000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003026900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004238500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0422507300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000617700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000242900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002108000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002230000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007267300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012246500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007344800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001878000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000913600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006209900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000738800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008810300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002671100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001048800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0094930200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005811200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006997300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006264100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005551300000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007771100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000225300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006301900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006180700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010137800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005856800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001759700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003412800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0305585100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005152700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006601400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001479900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009644400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003422600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011958800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006588900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007728700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000864900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000340500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0422809700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004488400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004119400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005974000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001639500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011840500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023915900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011211700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002000800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003065300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002319900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004624700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004926800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001169200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004936100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0108522200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001921500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003075600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002420700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001642200000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000004000000000, 0.0000000200000000, 0.0003864800000000 ] - [ 0.0000012900000000, -0.0000003900000000, -0.0001875900000000 ] - [ 0.0000005300000000, -0.0000005500000000, 0.0002436400000000 ] - [ -0.0000002800000000, 0.0000000900000000, 0.0002294000000000 ] - [ -0.0000002600000000, 0.0000001000000000, 0.0006243800000000 ] - [ 0.0000071100000000, 0.0000000300000000, -0.0009742700000000 ] - [ 0.0109308800000000, 0.0002026500000000, -0.0004534500000000 ] - [ 0.0000008200000000, -0.0000005400000000, -0.0000592900000000 ] - [ 0.0000016300000000, -0.0000005000000000, -0.0004845600000000 ] - [ -0.0000000300000000, -0.0000001000000000, 0.0001298900000000 ] - [ -0.0002759100000000, -0.0000004700000000, 0.0002765300000000 ] - [ -0.0000000700000000, -0.0000000900000000, -0.0005359000000000 ] - [ -0.0000003100000000, 0.0000000500000000, 0.0005742400000000 ] - [ 0.0000007100000000, 0.0000001400000000, 0.0005337900000000 ] - [ 0.0000010400000000, 0.0000000700000000, -0.0010009900000000 ] - [ -0.0000004000000000, -0.0000000200000000, 0.0008544000000000 ] - [ -0.0000078600000000, 0.0000003200000000, 0.0009655400000000 ] - [ 0.0000008400000000, -0.0000002300000000, 0.0001075000000000 ] - [ 0.0000001100000000, 0.0000003300000000, 0.0001951000000000 ] - [ -0.0000001900000000, 0.0000001500000000, 0.0001954200000000 ] - [ -0.0127062200000000, -0.0001421000000000, -0.0000058600000000 ] - [ 0.0000002600000000, 0.0000000800000000, -0.0002165900000000 ] - [ 0.0000002000000000, 0.0000000900000000, -0.0004025500000000 ] - [ 0.0000009700000000, 0.0000001100000000, 0.0000310100000000 ] - [ 0.0000003200000000, 0.0000000800000000, -0.0009556600000000 ] - [ 0.0000012000000000, -0.0000000700000000, -0.0005578600000000 ] - [ 0.0000009800000000, -0.0000000700000000, -0.0009264100000000 ] - [ -0.0000442200000000, -0.0000005200000000, -0.0000041400000000 ] - [ 0.0000010000000000, 0.0000001200000000, -0.0001061700000000 ] - [ -0.0000002200000000, -0.0000002000000000, 0.0004260300000000 ] - [ 0.0000008200000000, -0.0000000300000000, -0.0002684100000000 ] - [ 0.0000006600000000, 0.0000001000000000, 0.0006880300000000 ] - [ 0.0000020400000000, 0.0000000600000000, 0.0000742800000000 ] - [ -0.0000383000000000, -0.0000013400000000, -0.0002984500000000 ] - [ 0.0000008600000000, -0.0000000500000000, -0.0007706900000000 ] - [ -0.0000000500000000, -0.0000000800000000, 0.0003862400000000 ] - [ 0.0012122500000000, -0.0000059600000000, 0.0005155900000000 ] - [ 0.0000013700000000, -0.0000000700000000, 0.0004355400000000 ] - [ 0.0009060300000000, -0.0000512300000000, 0.0003358000000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000006500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005769300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001437100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001605000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002345900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013754500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0298554100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004475800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008722900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002575600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001120600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009226800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001863900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007274300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008059700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010497600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011576300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003033000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003889200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003912900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0423791100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000239200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002097600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002245600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007599000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003629200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007325500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002289000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000876500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006213100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000730800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008823900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002699000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000705000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005774200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005816700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023733900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006289300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0104469800000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007753000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002005200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006299200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006172000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010120900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005751600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0305060800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003291000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000963700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005156200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004382200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001506000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009635100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003438900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011979800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006623200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007770700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000845200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000048100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000031000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0422224900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004125600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005987200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001656800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011482200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007551700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011230700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002397600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003031200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002342500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004607500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004914400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001176100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005275800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009670500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001941400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013138300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002394500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0099106300000000 ]- atom: 22 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0109307200000000, -0.0002031800000000, 0.0001461100000000 ] - [ 0.0000007100000000, -0.0000004500000000, -0.0001875300000000 ] - [ 0.0000008200000000, -0.0000005900000000, 0.0002436800000000 ] - [ 0.0000004800000000, 0.0000000300000000, 0.0002294500000000 ] - [ 0.0000062900000000, -0.0000003800000000, 0.0006243600000000 ] - [ 0.0000005900000000, -0.0000004600000000, -0.0009741100000000 ] - [ 0.0000006800000000, -0.0000005400000000, -0.0002130000000000 ] - [ 0.0000013500000000, -0.0000005900000000, -0.0000592400000000 ] - [ 0.0000007000000000, -0.0000005500000000, -0.0004845000000000 ] - [ 0.0000000100000000, -0.0000001500000000, 0.0001299400000000 ] - [ 0.0000008900000000, -0.0000006400000000, 0.0002735600000000 ] - [ -0.0002771600000000, -0.0000002600000000, -0.0005328200000000 ] - [ 0.0000007300000000, 0.0000000000000000, 0.0005743000000000 ] - [ -0.0000073900000000, 0.0000000400000000, 0.0005340600000000 ] - [ -0.0000383900000000, 0.0000013000000000, -0.0010012400000000 ] - [ -0.0000005300000000, -0.0000000600000000, 0.0008545700000000 ] - [ 0.0000017300000000, 0.0000002600000000, 0.0009657100000000 ] - [ 0.0000006900000000, -0.0000002800000000, 0.0001076900000000 ] - [ -0.0000000600000000, 0.0000002800000000, 0.0001953500000000 ] - [ 0.0000003100000000, 0.0000000900000000, 0.0001956200000000 ] - [ 0.0000005600000000, -0.0000001100000000, -0.0002539200000000 ] - [ -0.0127122000000000, 0.0001493800000000, 0.0000291100000000 ] - [ 0.0000005900000000, 0.0000000400000000, -0.0004026700000000 ] - [ -0.0000445500000000, 0.0000004900000000, 0.0000315900000000 ] - [ 0.0000004700000000, 0.0000000300000000, -0.0009554500000000 ] - [ 0.0000010400000000, -0.0000001200000000, -0.0005579900000000 ] - [ 0.0000013000000000, -0.0000001200000000, -0.0009264700000000 ] - [ 0.0000013600000000, -0.0000001300000000, -0.0000048400000000 ] - [ 0.0000011700000000, 0.0000000600000000, -0.0001062200000000 ] - [ 0.0012151000000000, 0.0000057100000000, 0.0004387300000000 ] - [ 0.0009070500000000, 0.0000512700000000, -0.0002918800000000 ] - [ 0.0000009800000000, 0.0000000400000000, 0.0006879200000000 ] - [ 0.0000005100000000, 0.0000000400000000, 0.0000745500000000 ] - [ 0.0000010500000000, -0.0000001200000000, -0.0002984300000000 ] - [ 0.0000014200000000, -0.0000001000000000, -0.0007707800000000 ] - [ 0.0000001800000000, -0.0000001300000000, 0.0003864400000000 ] - [ 0.0000005500000000, -0.0000000700000000, 0.0005032900000000 ] - [ 0.0000006300000000, -0.0000001200000000, 0.0004354300000000 ] - [ -0.0000003600000000, 0.0000000700000000, 0.0003596500000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0304545000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005770300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001423100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001596000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002235900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013635200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005998500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004465600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008724800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002572000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001131000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006959000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001876400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007264000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007726000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010496300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011614800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003037900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003890700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003915600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000601800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0423706000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002084800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002656700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007599700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003623000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007315800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001901200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000882600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023007200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098224700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008837200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002685700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001030700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005757500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005820600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006987700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006293100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005547400000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0299057800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002011500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006291500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006169000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010236100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005865500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001760500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003286300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000956200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005158500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006590100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003718400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009628600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003453400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012302900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006627400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007735700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000846800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000052000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000032600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004499400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0422675900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005993100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002044400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011477800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007551700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011231800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002018000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003029300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013949600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0105413700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004906600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001156800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004947000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009680400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001940700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003112900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002397700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001673700000000 ]- atom: 23 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000000400000000, 0.0000000400000000, 0.0003864800000000 ] - [ 0.0000006200000000, -0.0000004000000000, -0.0001875700000000 ] - [ 0.0000012900000000, -0.0000005300000000, 0.0002436300000000 ] - [ 0.0000062200000000, -0.0000003300000000, 0.0002293100000000 ] - [ 0.0000007400000000, 0.0000001000000000, 0.0006243900000000 ] - [ 0.0000006100000000, -0.0000003800000000, -0.0009741800000000 ] - [ 0.0000013400000000, -0.0000004800000000, -0.0002130700000000 ] - [ 0.0000008600000000, -0.0000005300000000, -0.0000593000000000 ] - [ 0.0000006500000000, -0.0000005000000000, -0.0004845600000000 ] - [ -0.0002709000000000, -0.0000002200000000, 0.0001329100000000 ] - [ 0.0000008100000000, -0.0000005800000000, 0.0002734900000000 ] - [ -0.0000003000000000, -0.0000000800000000, -0.0005359000000000 ] - [ 0.0109054100000000, -0.0002028300000000, 0.0003340400000000 ] - [ 0.0000002800000000, 0.0000001400000000, 0.0005338900000000 ] - [ 0.0000005400000000, 0.0000000800000000, -0.0010011100000000 ] - [ -0.0000001300000000, 0.0000000000000000, 0.0008544600000000 ] - [ 0.0000003500000000, 0.0000002800000000, 0.0009656200000000 ] - [ 0.0011820100000000, 0.0000055200000000, 0.0001197000000000 ] - [ 0.0000016400000000, 0.0000003700000000, 0.0001951500000000 ] - [ -0.0000003700000000, 0.0000001600000000, 0.0001954900000000 ] - [ 0.0000005900000000, -0.0000000500000000, -0.0002539200000000 ] - [ 0.0000010900000000, 0.0000000900000000, -0.0002167000000000 ] - [ -0.0126557400000000, 0.0001470700000000, -0.0001543200000000 ] - [ 0.0000007200000000, 0.0000001200000000, 0.0000309300000000 ] - [ 0.0000005400000000, 0.0000000900000000, -0.0009555700000000 ] - [ 0.0000009900000000, -0.0000000500000000, -0.0005579700000000 ] - [ 0.0000012200000000, -0.0000000600000000, -0.0009264900000000 ] - [ 0.0000012800000000, -0.0000000700000000, -0.0000048400000000 ] - [ -0.0000433200000000, 0.0000005600000000, -0.0001056000000000 ] - [ -0.0000000200000000, -0.0000001800000000, 0.0004260900000000 ] - [ 0.0000007400000000, -0.0000000300000000, -0.0002683300000000 ] - [ -0.0000381300000000, 0.0000013700000000, 0.0006878000000000 ] - [ -0.0000073800000000, 0.0000000700000000, 0.0000744500000000 ] - [ 0.0000013800000000, -0.0000000600000000, -0.0002984200000000 ] - [ 0.0000005000000000, -0.0000000400000000, -0.0007707900000000 ] - [ 0.0009028000000000, 0.0000512800000000, 0.0003627000000000 ] - [ -0.0000005900000000, 0.0000000000000000, 0.0005031700000000 ] - [ 0.0000013100000000, -0.0000000600000000, 0.0004354200000000 ] - [ 0.0000004300000000, 0.0000001200000000, 0.0003595200000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000014100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005775400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001435000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001722600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002350400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013643700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006005200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004477700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008732100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000363200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001138500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009239100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0306414800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007274200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008066500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010502700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011592500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019221700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003908200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003910800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000609800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000233500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424554900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002249000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007601500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003634100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007322900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001891900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001267700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006215800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000726200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009154900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002666900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001031600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005777000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0104654900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006985000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006295400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005548000000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007756400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002009400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006297600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006288800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010117200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005861800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001757300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003289800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000956400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002995600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006592900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001492800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0297184100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003425500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011963800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006607100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007742000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016560500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000013900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000018800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004489300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004121400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0420089600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001653000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011491400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007534600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011226300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002008700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003398600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002328300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004624400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004596700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001155000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004943900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009656600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098761200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003101700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002397200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001658100000000 ]- atom: 24 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000076700000000, -0.0000004700000000, 0.0003867500000000 ] - [ 0.0000008200000000, -0.0000004600000000, -0.0001872100000000 ] - [ 0.0000012600000000, -0.0000006100000000, 0.0002440000000000 ] - [ 0.0000002300000000, 0.0000000200000000, 0.0002297600000000 ] - [ 0.0000003100000000, 0.0000000400000000, 0.0006247600000000 ] - [ -0.0001889800000000, 0.0000016000000000, -0.0009728400000000 ] - [ 0.0000022100000000, -0.0000005600000000, -0.0002126800000000 ] - [ 0.0000006300000000, -0.0000006100000000, -0.0000589300000000 ] - [ 0.0000006400000000, -0.0000005700000000, -0.0004841800000000 ] - [ 0.0000007200000000, -0.0000001700000000, 0.0001302600000000 ] - [ 0.0000007300000000, -0.0000006600000000, 0.0002738700000000 ] - [ 0.0107489700000000, -0.0002060600000000, -0.0007760100000000 ] - [ 0.0000004700000000, -0.0000000100000000, 0.0005746200000000 ] - [ 0.0000004100000000, 0.0000000700000000, 0.0005338200000000 ] - [ 0.0000004700000000, 0.0000000100000000, -0.0010013900000000 ] - [ 0.0000004100000000, -0.0000000800000000, 0.0008543400000000 ] - [ 0.0008963800000000, -0.0000109700000000, 0.0009736100000000 ] - [ 0.0000001300000000, -0.0000003000000000, 0.0001074500000000 ] - [ 0.0000005100000000, 0.0000002600000000, 0.0001951300000000 ] - [ -0.0000001000000000, 0.0000000800000000, 0.0001953900000000 ] - [ 0.0000016600000000, -0.0000001200000000, -0.0002542200000000 ] - [ -0.0000444400000000, 0.0000013100000000, -0.0002172500000000 ] - [ 0.0000010500000000, 0.0000000300000000, -0.0004029400000000 ] - [ -0.0121766800000000, 0.0001670300000000, 0.0002859200000000 ] - [ 0.0000002500000000, 0.0000000200000000, -0.0009556700000000 ] - [ 0.0000014900000000, -0.0000001300000000, -0.0005582700000000 ] - [ 0.0000006700000000, -0.0000001300000000, -0.0009267400000000 ] - [ 0.0000006300000000, -0.0000001400000000, -0.0000051100000000 ] - [ 0.0000006500000000, 0.0000000500000000, -0.0001065200000000 ] - [ 0.0008156300000000, 0.0000522000000000, 0.0004025600000000 ] - [ -0.0000068400000000, -0.0000001500000000, -0.0002684300000000 ] - [ 0.0000010900000000, 0.0000000300000000, 0.0006876200000000 ] - [ 0.0000012400000000, 0.0000000400000000, 0.0000743600000000 ] - [ -0.0000694600000000, -0.0000001800000000, -0.0002985900000000 ] - [ 0.0000011100000000, -0.0000001100000000, -0.0007710700000000 ] - [ 0.0000003400000000, -0.0000001500000000, 0.0003862100000000 ] - [ -0.0000003700000000, -0.0000000800000000, 0.0005030600000000 ] - [ 0.0000014800000000, -0.0000001300000000, 0.0004351500000000 ] - [ -0.0000033800000000, 0.0000000700000000, 0.0003593800000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000114700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005762600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001425700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001593400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002359000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011228300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005988400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004470900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008729400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002561700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001130800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0294738300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001869300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007260800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008045100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010488800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027712400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003026000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003881300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003900300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000589300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000179000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002068900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0420146900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007607900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003619800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007319800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001894600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000886200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0105048300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000748100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008842400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002671500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000547900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005749100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005811600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006974700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006312400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005591900000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007859700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001999500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006290300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006162700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010110000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008230300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001743200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003285400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000958100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005145100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006586100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0307750900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009628000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003436500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011981800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006616000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007911800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000854500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000041700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000027800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004508500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004526000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006004200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424380200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011487800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007549600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011224800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002008000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003029000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098361600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004607300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004904700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001160400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005410600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009683200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001930800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003107500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002382800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001610500000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000017900000000, 0.0000001000000000, 0.0003871500000000 ] - [ 0.0000015100000000, -0.0000003300000000, -0.0001869100000000 ] - [ 0.0000067300000000, -0.0000009100000000, 0.0002443800000000 ] - [ -0.0000011400000000, 0.0000001500000000, 0.0002300700000000 ] - [ -0.0000002200000000, 0.0000001800000000, 0.0006250500000000 ] - [ 0.0000003100000000, -0.0000003300000000, -0.0009735100000000 ] - [ 0.0000005700000000, -0.0000004200000000, -0.0002124000000000 ] - [ 0.0109490300000000, -0.0002039200000000, 0.0001820200000000 ] - [ -0.0002729000000000, -0.0000005700000000, -0.0004868800000000 ] - [ 0.0000002100000000, -0.0000000300000000, 0.0001305700000000 ] - [ 0.0000012700000000, -0.0000005300000000, 0.0002741800000000 ] - [ 0.0000003500000000, -0.0000000200000000, -0.0005352400000000 ] - [ -0.0000005100000000, 0.0000001200000000, 0.0005749100000000 ] - [ -0.0000010200000000, 0.0000002100000000, 0.0005334800000000 ] - [ -0.0000008800000000, 0.0000001400000000, -0.0010013100000000 ] - [ -0.0000391300000000, 0.0000013500000000, 0.0008542000000000 ] - [ 0.0000005700000000, 0.0000003500000000, 0.0009652000000000 ] - [ -0.0000005000000000, -0.0000001600000000, 0.0001071600000000 ] - [ 0.0000004400000000, 0.0000004000000000, 0.0001947900000000 ] - [ -0.0000388100000000, 0.0000006700000000, 0.0001944100000000 ] - [ 0.0000003300000000, 0.0000000100000000, -0.0002541500000000 ] - [ 0.0000001100000000, 0.0000001500000000, -0.0002169100000000 ] - [ 0.0000003200000000, 0.0000001600000000, -0.0004028800000000 ] - [ -0.0000001000000000, 0.0000001700000000, 0.0000306700000000 ] - [ -0.0126920400000000, 0.0001451900000000, -0.0012050600000000 ] - [ -0.0000024300000000, 0.0000000200000000, -0.0005581100000000 ] - [ -0.0000074300000000, -0.0000000600000000, -0.0009267600000000 ] - [ -0.0000002400000000, -0.0000000100000000, -0.0000051100000000 ] - [ -0.0000006500000000, 0.0000001800000000, -0.0001064900000000 ] - [ -0.0000008300000000, -0.0000001200000000, 0.0004257100000000 ] - [ -0.0000003700000000, 0.0000000300000000, -0.0002687300000000 ] - [ -0.0000003500000000, 0.0000001600000000, 0.0006877200000000 ] - [ -0.0000002700000000, 0.0000001700000000, 0.0000740000000000 ] - [ -0.0000003600000000, 0.0000000000000000, -0.0002986400000000 ] - [ 0.0011923900000000, 0.0000058900000000, -0.0007833000000000 ] - [ -0.0000008200000000, -0.0000000100000000, 0.0003859200000000 ] - [ 0.0000002400000000, 0.0000000500000000, 0.0005027900000000 ] - [ 0.0009076200000000, 0.0000514000000000, 0.0004588900000000 ] - [ 0.0000008000000000, 0.0000001900000000, 0.0003591200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000002900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005746700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001536200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001601300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002348800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013626200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005988300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302508800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006521000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002568400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001115900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009225700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001878400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007259900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008086900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010825100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011593500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003018300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003889600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004237300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000620000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000252600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002109900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002230000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0434185600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003571700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007354000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001871100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000851400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006198300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000745100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008807600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002668500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001057600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010271200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005801900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006981400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0107131900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005543300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007769400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002006200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006422600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006193500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010144300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005853500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001764500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301409800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003192400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005172800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006594700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001482400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009639300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003427300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011958600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006266200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007728200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000857000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000025200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000332500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004492400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004115600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005979400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001645300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0411614100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007617200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011207000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001999700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003011200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002329900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004618900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004922700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001167600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004933700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026214700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001930700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003089400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0096600800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001648600000000 ]- atom: 26 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000005000000000, 0.0000000100000000, 0.0003864700000000 ] - [ 0.0109137700000000, 0.0002025000000000, -0.0004277900000000 ] - [ 0.0000006700000000, -0.0000005700000000, 0.0002436000000000 ] - [ 0.0000005300000000, 0.0000000500000000, 0.0002293600000000 ] - [ 0.0000000500000000, 0.0000000800000000, 0.0006243600000000 ] - [ 0.0000008900000000, -0.0000004200000000, -0.0009742000000000 ] - [ 0.0000006600000000, -0.0000005200000000, -0.0002130900000000 ] - [ 0.0000017400000000, -0.0000005600000000, -0.0000593100000000 ] - [ -0.0002707500000000, -0.0000004100000000, -0.0004816000000000 ] - [ 0.0000211300000000, -0.0000000200000000, 0.0001298100000000 ] - [ 0.0000005300000000, -0.0000006100000000, 0.0002734600000000 ] - [ 0.0000007500000000, -0.0000001200000000, -0.0005359100000000 ] - [ 0.0000001400000000, 0.0000000300000000, 0.0005742200000000 ] - [ 0.0000011000000000, 0.0000001200000000, 0.0005338400000000 ] - [ 0.0000010000000000, 0.0000000600000000, -0.0010010700000000 ] - [ -0.0000004300000000, -0.0000000300000000, 0.0008544200000000 ] - [ 0.0000005000000000, 0.0000002600000000, 0.0009655600000000 ] - [ 0.0000017400000000, -0.0000003900000000, 0.0001075300000000 ] - [ 0.0009121900000000, -0.0000508900000000, 0.0001716400000000 ] - [ 0.0011830200000000, -0.0000056900000000, 0.0002076400000000 ] - [ 0.0000010300000000, -0.0000000800000000, -0.0002538900000000 ] - [ 0.0000009700000000, 0.0000000500000000, -0.0002166800000000 ] - [ 0.0000004400000000, 0.0000000700000000, -0.0004026000000000 ] - [ 0.0000005700000000, 0.0000000800000000, 0.0000309100000000 ] - [ -0.0000023800000000, 0.0000000600000000, -0.0009557200000000 ] - [ -0.0126697600000000, -0.0001413200000000, -0.0003091000000000 ] - [ 0.0000005400000000, -0.0000000900000000, -0.0009264700000000 ] - [ 0.0000014200000000, -0.0000001100000000, -0.0000048200000000 ] - [ -0.0000684100000000, -0.0000007000000000, -0.0001064000000000 ] - [ -0.0000000200000000, -0.0000002100000000, 0.0004260500000000 ] - [ 0.0000003200000000, -0.0000000500000000, -0.0002683900000000 ] - [ 0.0000002800000000, 0.0000000700000000, 0.0006879700000000 ] - [ 0.0000009400000000, 0.0000000800000000, 0.0000743600000000 ] - [ 0.0000014400000000, -0.0000000900000000, -0.0002983900000000 ] - [ -0.0000378500000000, -0.0000005100000000, -0.0007700800000000 ] - [ -0.0000000500000000, -0.0000001000000000, 0.0003862600000000 ] - [ 0.0000001800000000, -0.0000000300000000, 0.0005031300000000 ] - [ 0.0000009400000000, -0.0000000900000000, 0.0004354500000000 ] - [ -0.0000003000000000, 0.0000001100000000, 0.0003594800000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000019800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0298823900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001444800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001610100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002337900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013650100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006022100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004480700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006504000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002710000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001150900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009235300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001855000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007275300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008054200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010498300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011595900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002982100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102693100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020301800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000593700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000220600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002082200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002248000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007514000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0426430200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007329000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001899800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001336300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006219500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000724100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008825500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002681400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001031500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005427500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005818300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006994300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006298100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005550400000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007764000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0304860300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006302400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006173200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010124200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005860100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001775800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003292500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003137300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005285200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006599300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001502600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009641600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003428800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011984500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006612100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007742300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000804700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100613900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015876500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004514400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004143300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006002000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001657700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011576800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0418961600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011225500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002022400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003487200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002326200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004624400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004912500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001165400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004952100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010001200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001930200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003093900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002388000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001658500000000 ]- atom: 27 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000012400000000, 0.0000000000000000, 0.0003868200000000 ] - [ 0.0000013100000000, -0.0000004300000000, -0.0001872200000000 ] - [ 0.0107408900000000, 0.0002052200000000, 0.0000035800000000 ] - [ -0.0000000900000000, 0.0000000500000000, 0.0002297700000000 ] - [ -0.0001903500000000, -0.0000020100000000, 0.0006257700000000 ] - [ 0.0000010100000000, -0.0000004300000000, -0.0009738200000000 ] - [ 0.0000013600000000, -0.0000005200000000, -0.0002127300000000 ] - [ 0.0000085400000000, -0.0000001400000000, -0.0000590800000000 ] - [ 0.0000011500000000, -0.0000005400000000, -0.0004842100000000 ] - [ -0.0000003000000000, -0.0000001300000000, 0.0001302100000000 ] - [ 0.0000015400000000, -0.0000006200000000, 0.0002738300000000 ] - [ -0.0000001900000000, -0.0000001200000000, -0.0005355700000000 ] - [ -0.0000003500000000, 0.0000000200000000, 0.0005745700000000 ] - [ 0.0008994900000000, 0.0000113000000000, 0.0005423200000000 ] - [ -0.0000700100000000, 0.0000001000000000, -0.0010017400000000 ] - [ 0.0008145500000000, -0.0000524900000000, 0.0008312700000000 ] - [ 0.0000008300000000, 0.0000002400000000, 0.0009659600000000 ] - [ 0.0000005200000000, -0.0000002700000000, 0.0001078100000000 ] - [ 0.0000006800000000, 0.0000002900000000, 0.0001955600000000 ] - [ -0.0000001100000000, 0.0000001200000000, 0.0001957600000000 ] - [ 0.0000013200000000, -0.0000000900000000, -0.0002546400000000 ] - [ 0.0000013100000000, 0.0000000500000000, -0.0002174400000000 ] - [ 0.0000007600000000, 0.0000000600000000, -0.0004034000000000 ] - [ 0.0000002700000000, 0.0000000700000000, 0.0000303200000000 ] - [ -0.0000073100000000, 0.0000001000000000, -0.0009552700000000 ] - [ 0.0000006400000000, -0.0000001000000000, -0.0005587700000000 ] - [ -0.0121672100000000, -0.0001578800000000, -0.0006708600000000 ] - [ 0.0000008800000000, -0.0000001100000000, -0.0000054800000000 ] - [ 0.0000011300000000, 0.0000000800000000, -0.0001069000000000 ] - [ -0.0000000200000000, -0.0000002300000000, 0.0004262700000000 ] - [ -0.0000030300000000, -0.0000000900000000, -0.0002681100000000 ] - [ 0.0000011700000000, 0.0000000600000000, 0.0006871500000000 ] - [ 0.0000008200000000, 0.0000000600000000, 0.0000747900000000 ] - [ 0.0000013600000000, -0.0000001000000000, -0.0002991900000000 ] - [ 0.0000007500000000, -0.0000000700000000, -0.0007715000000000 ] - [ 0.0000001900000000, -0.0000001100000000, 0.0003866000000000 ] - [ -0.0000003000000000, -0.0000000500000000, 0.0005033600000000 ] - [ -0.0000443500000000, -0.0000014000000000, 0.0004344500000000 ] - [ -0.0000000900000000, 0.0000000800000000, 0.0003597600000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000000100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005763300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302474600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001599500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004750800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013633100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006004300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004583700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008725600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002573600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001127300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009229500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001857700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023453800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007576700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109292200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011577100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003022400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003871000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003894000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000586900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000221300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002074100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002246700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007624300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003628500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0429518000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001893900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000889700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006198100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000691800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008834600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002669000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001023500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005754400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005803000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006975500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006699300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005536100000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007743300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001995900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299901200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006164200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007756700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005875200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001755800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003396200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000965200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005151000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006577300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001507300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009636600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012294300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012436700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0094042400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007750700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000855500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000046100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000028100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004511800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004133600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006000400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001648900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011479100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007542400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0414756200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002010100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003033900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002337000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004669100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004911800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001163700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004953000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009678400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001933100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003102200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001999300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001660800000000 ]- atom: 28 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000003000000000, -0.0000000200000000, 0.0003869100000000 ] - [ 0.0000010800000000, -0.0000004400000000, -0.0001871500000000 ] - [ 0.0000008100000000, -0.0000006000000000, 0.0002440600000000 ] - [ -0.0001889900000000, -0.0000020100000000, 0.0002307700000000 ] - [ -0.0000003000000000, 0.0000000500000000, 0.0006248300000000 ] - [ 0.0000011000000000, -0.0000004500000000, -0.0009737500000000 ] - [ 0.0000085300000000, -0.0000001100000000, -0.0002127500000000 ] - [ 0.0000015600000000, -0.0000005900000000, -0.0000588700000000 ] - [ 0.0000013600000000, -0.0000005500000000, -0.0004841200000000 ] - [ -0.0000001800000000, -0.0000001500000000, 0.0001303200000000 ] - [ 0.0107449000000000, 0.0002051900000000, 0.0000335200000000 ] - [ 0.0000003900000000, -0.0000001500000000, -0.0005354600000000 ] - [ 0.0000012200000000, 0.0000000100000000, 0.0005746700000000 ] - [ 0.0000003200000000, 0.0000000800000000, 0.0005337600000000 ] - [ 0.0000007500000000, 0.0000000200000000, -0.0010012300000000 ] - [ 0.0000004200000000, -0.0000000700000000, 0.0008543200000000 ] - [ -0.0000000100000000, 0.0000002300000000, 0.0009654900000000 ] - [ -0.0000000400000000, -0.0000002900000000, 0.0001074100000000 ] - [ 0.0000008200000000, 0.0000002700000000, 0.0001950600000000 ] - [ -0.0000000100000000, 0.0000001000000000, 0.0001953400000000 ] - [ -0.0000440900000000, -0.0000014000000000, -0.0002543000000000 ] - [ 0.0000011200000000, 0.0000000300000000, -0.0002168100000000 ] - [ 0.0000013100000000, 0.0000000300000000, -0.0004027700000000 ] - [ 0.0000003500000000, 0.0000000600000000, 0.0000308200000000 ] - [ -0.0000002000000000, 0.0000000300000000, -0.0009557300000000 ] - [ 0.0000013600000000, -0.0000001200000000, -0.0005581000000000 ] - [ 0.0000014200000000, -0.0000001200000000, -0.0009266000000000 ] - [ -0.0121666500000000, -0.0001571700000000, 0.0002480000000000 ] - [ 0.0000002700000000, 0.0000000600000000, -0.0001063600000000 ] - [ 0.0000007200000000, -0.0000002400000000, 0.0004259400000000 ] - [ 0.0000006100000000, -0.0000000900000000, -0.0002684700000000 ] - [ -0.0000695800000000, 0.0000001000000000, 0.0006879500000000 ] - [ 0.0008922200000000, 0.0000111800000000, 0.0000823200000000 ] - [ 0.0000007400000000, -0.0000001100000000, -0.0002985400000000 ] - [ 0.0000012800000000, -0.0000001000000000, -0.0007709000000000 ] - [ -0.0000030000000000, -0.0000001500000000, 0.0003861400000000 ] - [ 0.0008150200000000, -0.0000525200000000, 0.0004796100000000 ] - [ 0.0000009200000000, -0.0000001200000000, 0.0004353000000000 ] - [ -0.0000072600000000, 0.0000001200000000, 0.0003593900000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000006200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005760500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001424700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000792600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002350800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013626600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006109900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004462100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008721800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002570500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0302832800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009222500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001879000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007265600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008045400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010497400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011581000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003024700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003881400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003908700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000194600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000211900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002076800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002251600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007605600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003616100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007316900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0420408700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000880400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006209800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000733000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009311600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018698900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001019200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005750300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005866100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0105812900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006304000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005534300000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007757100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002003200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006295300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003826600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010124000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005871500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001870700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003282900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000959200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005159000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0299653100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001501900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009625400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003439300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011977400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006614100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007757200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000845400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000049800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000026100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004890900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004134700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005992100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001644800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011483600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007549100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011222300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0423697500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003018300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002335300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004614400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004456600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016713600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004947900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009676700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001883000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0097575900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002396100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001673600000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000007200000000, -0.0000000400000000, 0.0003869000000000 ] - [ -0.0001851800000000, 0.0000015700000000, -0.0001862400000000 ] - [ 0.0000008600000000, -0.0000006100000000, 0.0002440400000000 ] - [ 0.0000003300000000, 0.0000000200000000, 0.0002298000000000 ] - [ 0.0000005200000000, 0.0000000400000000, 0.0006248100000000 ] - [ 0.0000005900000000, -0.0000004600000000, -0.0009737700000000 ] - [ 0.0000006600000000, -0.0000005500000000, -0.0002126500000000 ] - [ 0.0000007500000000, -0.0000006100000000, -0.0000588800000000 ] - [ 0.0000021900000000, -0.0000005700000000, -0.0004841300000000 ] - [ 0.0107319400000000, -0.0002058000000000, -0.0001099900000000 ] - [ 0.0000013100000000, -0.0000006500000000, 0.0002739100000000 ] - [ 0.0000000300000000, -0.0000001500000000, -0.0005355000000000 ] - [ 0.0000074400000000, -0.0000004300000000, 0.0005745400000000 ] - [ 0.0000004800000000, 0.0000000700000000, 0.0005338100000000 ] - [ 0.0000010200000000, 0.0000000100000000, -0.0010012900000000 ] - [ 0.0000005800000000, -0.0000000900000000, 0.0008543500000000 ] - [ -0.0000000100000000, 0.0000002200000000, 0.0009655300000000 ] - [ 0.0008133200000000, 0.0000521500000000, 0.0000840600000000 ] - [ 0.0008758100000000, -0.0000106800000000, 0.0002029900000000 ] - [ -0.0000032300000000, 0.0000001000000000, 0.0001953500000000 ] - [ 0.0000014800000000, -0.0000001200000000, -0.0002541000000000 ] - [ 0.0000006300000000, 0.0000000200000000, -0.0002169000000000 ] - [ -0.0000431600000000, 0.0000013000000000, -0.0004031000000000 ] - [ 0.0000012200000000, 0.0000000400000000, 0.0000307700000000 ] - [ -0.0000003100000000, 0.0000000300000000, -0.0009556800000000 ] - [ -0.0000681500000000, -0.0000001800000000, -0.0005580500000000 ] - [ 0.0000013900000000, -0.0000001300000000, -0.0009266700000000 ] - [ 0.0000007000000000, -0.0000001400000000, -0.0000050100000000 ] - [ -0.0121431600000000, 0.0001665000000000, 0.0001471700000000 ] - [ 0.0000008200000000, -0.0000002600000000, 0.0004259700000000 ] - [ 0.0000002200000000, -0.0000001000000000, -0.0002684400000000 ] - [ 0.0000004600000000, 0.0000000300000000, 0.0006877500000000 ] - [ 0.0000004000000000, 0.0000000300000000, 0.0000743300000000 ] - [ 0.0000010900000000, -0.0000001300000000, -0.0002986200000000 ] - [ 0.0000016500000000, -0.0000001000000000, -0.0007709900000000 ] - [ -0.0000066800000000, -0.0000001900000000, 0.0003862200000000 ] - [ 0.0000003700000000, -0.0000000800000000, 0.0005030500000000 ] - [ 0.0000006100000000, -0.0000001300000000, 0.0004352400000000 ] - [ 0.0000002700000000, 0.0000000600000000, 0.0003594100000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000003000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003400400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001425200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001594400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002354600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013638200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006000100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004469700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008710500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0301417200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001132200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009225100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001761700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007281200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008051800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010505000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011595100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101803900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019539500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003970400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000591800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000227600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001697200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002249700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007600100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003162400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007318100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001888900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0421014000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006225700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000722700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008835500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002682200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001025600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005764900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005816800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006992100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006292100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005557300000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007748100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000315000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006292600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006166200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010116700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005863300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001760800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003289800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000970700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301113400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006590800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001502200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009742300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003431200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011981200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006612800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007751500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101469400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015142300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000029000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004509700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004130700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006375100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001652800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011483100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007997700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011230000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002004500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0422336900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002326900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004617900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004908300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001158200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004952800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009673100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001938500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003101800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002398200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001658800000000 ]- atom: 30 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002779300000000, 0.0000003300000000, 0.0003840800000000 ] - [ -0.0000008500000000, -0.0000002200000000, -0.0001869400000000 ] - [ 0.0000012100000000, -0.0000003700000000, 0.0002442600000000 ] - [ -0.0000003800000000, 0.0000002600000000, 0.0002300500000000 ] - [ 0.0000007900000000, 0.0000002900000000, 0.0006250500000000 ] - [ -0.0000281100000000, 0.0000000400000000, -0.0009734400000000 ] - [ 0.0000006900000000, -0.0000003000000000, -0.0002124500000000 ] - [ 0.0000005500000000, -0.0000003700000000, -0.0000586900000000 ] - [ -0.0000001400000000, -0.0000003300000000, -0.0004839100000000 ] - [ -0.0000001500000000, 0.0000000800000000, 0.0001304900000000 ] - [ -0.0000007500000000, -0.0000004100000000, 0.0002741300000000 ] - [ 0.0109479000000000, 0.0002036700000000, -0.0002944900000000 ] - [ -0.0000004100000000, 0.0000002300000000, 0.0005748500000000 ] - [ 0.0000009900000000, 0.0000003100000000, 0.0005344400000000 ] - [ -0.0000026200000000, 0.0000002500000000, -0.0010022500000000 ] - [ -0.0000006600000000, 0.0000001600000000, 0.0008547300000000 ] - [ 0.0000874000000000, -0.0000001600000000, 0.0009664700000000 ] - [ 0.0000013100000000, -0.0000000600000000, 0.0001079200000000 ] - [ -0.0000003800000000, 0.0000005000000000, 0.0001957600000000 ] - [ -0.0000005300000000, 0.0000003200000000, 0.0001959300000000 ] - [ -0.0000004600000000, 0.0000001200000000, -0.0002550800000000 ] - [ 0.0012146000000000, -0.0000057100000000, -0.0002304500000000 ] - [ -0.0000004600000000, 0.0000002700000000, -0.0004038500000000 ] - [ 0.0008150500000000, -0.0000518200000000, 0.0000536400000000 ] - [ -0.0000009800000000, 0.0000002600000000, -0.0009551500000000 ] - [ -0.0000001000000000, 0.0000001100000000, -0.0005592700000000 ] - [ -0.0000002000000000, 0.0000001100000000, -0.0009274700000000 ] - [ 0.0000006200000000, 0.0000001000000000, -0.0000058300000000 ] - [ 0.0000002000000000, 0.0000002900000000, -0.0001072700000000 ] - [ -0.0127214700000000, -0.0001491900000000, 0.0001789500000000 ] - [ -0.0000384300000000, -0.0000003200000000, -0.0002686500000000 ] - [ 0.0000000700000000, 0.0000002700000000, 0.0006866400000000 ] - [ 0.0000014800000000, 0.0000002700000000, 0.0000750000000000 ] - [ 0.0000016900000000, 0.0000002000000000, -0.0002996600000000 ] - [ 0.0000001200000000, 0.0000001300000000, -0.0007719500000000 ] - [ 0.0000010000000000, 0.0000001000000000, 0.0003867400000000 ] - [ -0.0000006500000000, 0.0000001700000000, 0.0005034600000000 ] - [ 0.0000008100000000, 0.0000001000000000, 0.0004342800000000 ] - [ -0.0000008100000000, 0.0000002900000000, 0.0003599200000000 ]- atom: 30 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0002208000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005766800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001417200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001586300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002372900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013798200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006000100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004455900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008724700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002560700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001128100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0297574600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001877100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007273800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007999600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010484100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011952000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003030700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003867400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003899100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000626200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016037500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002111300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102918300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007617700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003653700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007352900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001866700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000857000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0420208200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000405000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008809100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002681600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001111200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005788400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005821000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006972200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006271800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005537200000000 ]- atom: 30 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0005511000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002020800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006297600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006172800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010112700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005688100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001778700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003291000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000942100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005159200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006599400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0306030400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009643700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003419600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012056300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006614000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007368200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000865400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000049100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000022300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004496400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020918500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005988300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100488200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011485500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007542100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011217000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002003800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003024400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0425408600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004969900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004913300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001178200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004888500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009670300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001913800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003102700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002397200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001657500000000 ]- atom: 31 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0109449300000000, 0.0002036200000000, 0.0006277400000000 ] - [ -0.0000000300000000, -0.0000002000000000, -0.0001869300000000 ] - [ 0.0000007700000000, -0.0000003500000000, 0.0002442800000000 ] - [ -0.0000002500000000, 0.0000002800000000, 0.0002300500000000 ] - [ -0.0002743000000000, 0.0000004500000000, 0.0006220000000000 ] - [ 0.0000008900000000, -0.0000001900000000, -0.0009735200000000 ] - [ -0.0000006200000000, -0.0000002800000000, -0.0002124000000000 ] - [ 0.0000013500000000, -0.0000003500000000, -0.0000586500000000 ] - [ 0.0000006800000000, -0.0000003100000000, -0.0004838900000000 ] - [ 0.0000006500000000, 0.0000001100000000, 0.0001305400000000 ] - [ 0.0000014600000000, -0.0000003900000000, 0.0002741500000000 ] - [ 0.0000061400000000, 0.0000005400000000, -0.0005351500000000 ] - [ -0.0000001000000000, 0.0000002500000000, 0.0005748900000000 ] - [ -0.0000354400000000, -0.0000001200000000, 0.0005329000000000 ] - [ 0.0011941800000000, -0.0000056000000000, -0.0010137500000000 ] - [ -0.0000007000000000, 0.0000001800000000, 0.0008541300000000 ] - [ -0.0000011400000000, 0.0000004700000000, 0.0009653100000000 ] - [ 0.0000008300000000, -0.0000000300000000, 0.0001072600000000 ] - [ -0.0000003700000000, 0.0000005300000000, 0.0001949000000000 ] - [ -0.0000008600000000, 0.0000003400000000, 0.0001951700000000 ] - [ 0.0000006900000000, 0.0000001300000000, -0.0002542800000000 ] - [ 0.0009065400000000, -0.0000510900000000, -0.0001933800000000 ] - [ 0.0000002900000000, 0.0000002900000000, -0.0004030200000000 ] - [ -0.0000074200000000, 0.0000003600000000, 0.0000305600000000 ] - [ -0.0000005400000000, 0.0000002800000000, -0.0009558900000000 ] - [ 0.0000001800000000, 0.0000001300000000, -0.0005583300000000 ] - [ -0.0000031600000000, 0.0000001300000000, -0.0009267400000000 ] - [ 0.0000004700000000, 0.0000001200000000, -0.0000052100000000 ] - [ -0.0000003000000000, 0.0000003100000000, -0.0001065900000000 ] - [ -0.0000383600000000, -0.0000012900000000, 0.0004258900000000 ] - [ -0.0126975700000000, -0.0001499600000000, -0.0005168800000000 ] - [ -0.0000004300000000, 0.0000002900000000, 0.0006875700000000 ] - [ 0.0000011900000000, 0.0000003000000000, 0.0000741200000000 ] - [ -0.0000003100000000, 0.0000001300000000, -0.0002987900000000 ] - [ 0.0000008800000000, 0.0000001500000000, -0.0007711500000000 ] - [ 0.0000014400000000, 0.0000001200000000, 0.0003860000000000 ] - [ -0.0000009600000000, 0.0000001800000000, 0.0005028500000000 ] - [ -0.0000001800000000, 0.0000001400000000, 0.0004350700000000 ] - [ -0.0000005200000000, 0.0000003200000000, 0.0003592000000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0306943200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005765300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001396400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001587700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004573700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013635700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005993100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004458400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008709700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002552600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001128300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009331700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001883400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007625300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008025800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010489100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011582400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003033900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003881500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003900600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000620700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100557200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002103400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002222000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007610800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003648700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007289900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001877500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000860000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006547300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0427428000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008807000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002688800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001056400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005785900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005820100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006974600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006271700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005537700000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0296911400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002025100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006283800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006181400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007869200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005842200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001770900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003297000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000954800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005159800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006607000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001375800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009637500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003050200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028564800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006607900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007740500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000871000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000033700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000019100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004491500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103075100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005985400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001637700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011493500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007538400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011271300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002006600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003018700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001980000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0418562400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004923600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001187200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004934400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009663300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001913400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003098500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002405800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001656300000000 ]- atom: 32 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000001900000000, -0.0000000300000000, 0.0003864700000000 ] - [ 0.0000007700000000, -0.0000004600000000, -0.0001875600000000 ] - [ 0.0000016500000000, -0.0000006100000000, 0.0002436200000000 ] - [ 0.0109244700000000, -0.0002030600000000, -0.0000109500000000 ] - [ 0.0000000900000000, 0.0000000400000000, 0.0006244300000000 ] - [ 0.0000014100000000, -0.0000004500000000, -0.0009741600000000 ] - [ 0.0000011300000000, -0.0000005500000000, -0.0002130900000000 ] - [ 0.0000014200000000, -0.0000006000000000, -0.0000593100000000 ] - [ 0.0000010100000000, -0.0000005700000000, -0.0004845500000000 ] - [ 0.0000009300000000, -0.0000001700000000, 0.0001298700000000 ] - [ 0.0000223200000000, -0.0000007500000000, 0.0002733900000000 ] - [ -0.0000002600000000, -0.0000001500000000, -0.0005359200000000 ] - [ -0.0002716400000000, -0.0000001300000000, 0.0005772100000000 ] - [ 0.0000009400000000, 0.0000000700000000, 0.0005344400000000 ] - [ 0.0000011600000000, 0.0000000100000000, -0.0010016100000000 ] - [ -0.0000002900000000, -0.0000000800000000, 0.0008548600000000 ] - [ 0.0000006500000000, 0.0000002100000000, 0.0009661600000000 ] - [ -0.0000020100000000, -0.0000002800000000, 0.0001079300000000 ] - [ -0.0000002200000000, 0.0000002600000000, 0.0001957500000000 ] - [ 0.0000006900000000, 0.0000000800000000, 0.0001959600000000 ] - [ 0.0000008100000000, -0.0000001200000000, -0.0002543800000000 ] - [ 0.0000008100000000, 0.0000000100000000, -0.0002171900000000 ] - [ -0.0000380700000000, 0.0000004700000000, -0.0004024600000000 ] - [ 0.0000011900000000, 0.0000000400000000, 0.0000305600000000 ] - [ 0.0000000000000000, 0.0000000200000000, -0.0009550900000000 ] - [ 0.0000005800000000, -0.0000001200000000, -0.0005585300000000 ] - [ 0.0000009500000000, -0.0000001300000000, -0.0009268900000000 ] - [ -0.0000691200000000, 0.0000006800000000, -0.0000054100000000 ] - [ 0.0000007800000000, 0.0000000500000000, -0.0001066500000000 ] - [ 0.0000006200000000, -0.0000002600000000, 0.0004265000000000 ] - [ 0.0000001500000000, -0.0000001000000000, -0.0002678600000000 ] - [ -0.0126861400000000, 0.0001500400000000, 0.0009356700000000 ] - [ 0.0009153800000000, 0.0000512400000000, 0.0000514800000000 ] - [ 0.0000006700000000, -0.0000001300000000, -0.0002989400000000 ] - [ 0.0000013900000000, -0.0000001100000000, -0.0007712600000000 ] - [ 0.0011835300000000, 0.0000056700000000, 0.0003990000000000 ] - [ 0.0000014600000000, 0.0000000600000000, 0.0005036000000000 ] - [ 0.0000013300000000, -0.0000001300000000, 0.0004349500000000 ] - [ -0.0000003500000000, 0.0000000500000000, 0.0003599800000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000020200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005774700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001431600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0303046100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002342400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013640100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006008900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004480000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008732900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002575000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001266600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009236500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004095200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007285500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008055100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010509800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011599000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003127200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003893800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003921700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000591800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000217500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001742800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002258800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007588100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003629400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007321300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002361100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000884100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006229700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000720800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0414332400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0101577300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001032100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005757400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022220600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006941600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006306800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005554400000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007766600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002010400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006294300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0300744200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010124600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005865800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001765000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003295300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000953300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005156300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006719200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001496000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007453400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003427200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011984500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006610000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007747500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000940400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000043500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000022400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004516800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004147700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006328900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001669300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011493000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007552300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011234900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002482900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003038400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002324400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004617900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0431629700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101905000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004952300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009688400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013970800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003154400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002375400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001663200000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000003600000000, 0.0000002200000000, 0.0003870800000000 ] - [ -0.0000005500000000, -0.0000002100000000, -0.0001869800000000 ] - [ 0.0000016900000000, -0.0000003600000000, 0.0002442500000000 ] - [ 0.0109587600000000, 0.0002036800000000, 0.0004704300000000 ] - [ 0.0000007500000000, 0.0000002900000000, 0.0006249900000000 ] - [ 0.0000014200000000, -0.0000002200000000, -0.0009736000000000 ] - [ -0.0000003800000000, -0.0000003200000000, -0.0002124800000000 ] - [ 0.0000009000000000, -0.0000003600000000, -0.0000587000000000 ] - [ 0.0000015900000000, -0.0000003200000000, -0.0004839600000000 ] - [ 0.0000002600000000, 0.0000000900000000, 0.0001305000000000 ] - [ -0.0000720100000000, 0.0000011500000000, 0.0002711400000000 ] - [ 0.0000000500000000, 0.0000001000000000, -0.0005353000000000 ] - [ 0.0000055300000000, 0.0000006700000000, 0.0005749300000000 ] - [ 0.0000010600000000, 0.0000003200000000, 0.0005334000000000 ] - [ -0.0000002700000000, 0.0000002600000000, -0.0010013600000000 ] - [ -0.0000007800000000, 0.0000001600000000, 0.0008540000000000 ] - [ -0.0000003400000000, 0.0000004600000000, 0.0009651200000000 ] - [ 0.0000006200000000, -0.0000000400000000, 0.0001070900000000 ] - [ -0.0000003000000000, 0.0000005100000000, 0.0001946900000000 ] - [ -0.0000007800000000, 0.0000003300000000, 0.0001950200000000 ] - [ 0.0000019500000000, 0.0000001500000000, -0.0002541400000000 ] - [ -0.0000000600000000, 0.0000002600000000, -0.0002169600000000 ] - [ -0.0000078900000000, 0.0000003200000000, -0.0004029400000000 ] - [ 0.0000006300000000, 0.0000002800000000, 0.0000306200000000 ] - [ -0.0000004900000000, 0.0000002700000000, -0.0009560600000000 ] - [ 0.0000007000000000, 0.0000001100000000, -0.0005582200000000 ] - [ 0.0000006000000000, 0.0000001100000000, -0.0009267900000000 ] - [ 0.0008921500000000, -0.0000085500000000, -0.0000183800000000 ] - [ -0.0000002500000000, 0.0000003000000000, -0.0001065400000000 ] - [ 0.0000013600000000, -0.0000000100000000, 0.0004256400000000 ] - [ 0.0000013800000000, 0.0000001500000000, -0.0002688100000000 ] - [ 0.0009147500000000, -0.0000510600000000, 0.0007108800000000 ] - [ -0.0127535200000000, -0.0001486500000000, -0.0001709700000000 ] - [ -0.0000001600000000, 0.0000001200000000, -0.0002986800000000 ] - [ 0.0000005300000000, 0.0000001300000000, -0.0007710600000000 ] - [ -0.0000350900000000, -0.0000011700000000, 0.0003859800000000 ] - [ 0.0000869600000000, 0.0000004000000000, 0.0005019600000000 ] - [ -0.0000000300000000, 0.0000001200000000, 0.0004351600000000 ] - [ -0.0000011200000000, 0.0000003000000000, 0.0003590500000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000048000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005717400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001365100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305297900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002416300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013583300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005956400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004424800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008677400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002511800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002033000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009167300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001805400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007242300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008096800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010454000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011548800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003011600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003845700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003869200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000615000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000261300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002135800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002211600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007640400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003668800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007359000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017401200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000837300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006191900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000752100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0109534600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424160600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001073500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005798800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006136500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007315900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006258800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005505300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007714300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001970400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006246700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0298444100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010071100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005905600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001726200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003255800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000993000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005112500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003348200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001544800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009711600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003441400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011949800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006637800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007767700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000853700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000063700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000046300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004499500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004109300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005955400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001629200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011468400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007519800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011204800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018023200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002998700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002333600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004615200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0093947700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0422368100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004917300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009653300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001586900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002730200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002416800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001683500000000 ]- atom: 34 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000001600000000, -0.0000000200000000, 0.0003864000000000 ] - [ 0.0000017100000000, -0.0000004400000000, -0.0001876600000000 ] - [ 0.0000005300000000, -0.0000005900000000, 0.0002435600000000 ] - [ -0.0000001500000000, 0.0000000400000000, 0.0002293300000000 ] - [ 0.0000005000000000, 0.0000000500000000, 0.0006243200000000 ] - [ 0.0109293300000000, 0.0002026400000000, -0.0012146100000000 ] - [ -0.0002737700000000, -0.0000004000000000, -0.0002101000000000 ] - [ 0.0000006500000000, -0.0000005900000000, -0.0000593700000000 ] - [ 0.0000009400000000, -0.0000005500000000, -0.0004846300000000 ] - [ 0.0000005100000000, -0.0000001500000000, 0.0001298300000000 ] - [ 0.0000017500000000, -0.0000006300000000, 0.0002734400000000 ] - [ 0.0000214600000000, -0.0000000400000000, -0.0005360400000000 ] - [ 0.0000000200000000, 0.0000000000000000, 0.0005741600000000 ] - [ 0.0000009800000000, 0.0000000900000000, 0.0005336500000000 ] - [ 0.0000003000000000, 0.0000000300000000, -0.0010009900000000 ] - [ 0.0000002200000000, -0.0000000600000000, 0.0008542900000000 ] - [ 0.0009148100000000, -0.0000509500000000, 0.0009418900000000 ] - [ 0.0000002600000000, -0.0000002800000000, 0.0001073800000000 ] - [ -0.0000000500000000, 0.0000002800000000, 0.0001949500000000 ] - [ 0.0000004400000000, 0.0000001000000000, 0.0001952900000000 ] - [ -0.0000383000000000, -0.0000005500000000, -0.0002531300000000 ] - [ 0.0000004500000000, 0.0000000300000000, -0.0002166000000000 ] - [ 0.0000010600000000, 0.0000000400000000, -0.0004025700000000 ] - [ -0.0000697300000000, -0.0000007500000000, 0.0000307800000000 ] - [ -0.0000003000000000, 0.0000000400000000, -0.0009557800000000 ] - [ 0.0000008900000000, -0.0000001100000000, -0.0005578600000000 ] - [ 0.0000014100000000, -0.0000001200000000, -0.0009264400000000 ] - [ 0.0000010300000000, -0.0000001200000000, -0.0000048300000000 ] - [ 0.0000010000000000, 0.0000000700000000, -0.0001061900000000 ] - [ 0.0000018100000000, -0.0000003800000000, 0.0004259400000000 ] - [ 0.0000000000000000, -0.0000000800000000, -0.0002685300000000 ] - [ 0.0000002300000000, 0.0000000500000000, 0.0006880200000000 ] - [ 0.0000001000000000, 0.0000000500000000, 0.0000741800000000 ] - [ -0.0127000400000000, -0.0001404300000000, -0.0000476100000000 ] - [ 0.0000014200000000, -0.0000001000000000, -0.0007707000000000 ] - [ 0.0000009800000000, -0.0000001200000000, 0.0003861300000000 ] - [ -0.0000025000000000, -0.0000000800000000, 0.0005029300000000 ] - [ 0.0000010700000000, -0.0000001100000000, 0.0004355200000000 ] - [ 0.0011988200000000, -0.0000058100000000, 0.0003716400000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000017200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005772900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001443000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001611400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002342200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0290965600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003752500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004489500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008738900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002584900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001139500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009363000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001855800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007276600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008065100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010506400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0110437800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003040300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003890800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003919400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000258500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000225300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002082100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002713500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007598600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003631700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007319000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001892700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000884300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006163900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000729700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008823600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002679800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0424232100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005768100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005821900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007075700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006300600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022232300000000 ]- atom: 34 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007757900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002003100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006299700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006173000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010119000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0312744200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000445700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003298700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000953100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005159900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006587500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001376000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009637900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003430700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011980900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006608600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0092947400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000859400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000040600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000018800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004842200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004146000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006009700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002128900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011487800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007556100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011243500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002022800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003044600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002385200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004614100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004907100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001161700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0422025000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009683600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001930100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003015200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002375500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014525900000000 ]- atom: 35 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000000100000000, -0.0000000200000000, 0.0003865200000000 ] - [ 0.0000071400000000, -0.0000000200000000, -0.0001876400000000 ] - [ 0.0000017200000000, -0.0000005900000000, 0.0002436800000000 ] - [ -0.0000001700000000, 0.0000000300000000, 0.0002294300000000 ] - [ -0.0000002000000000, 0.0000000600000000, 0.0006244300000000 ] - [ 0.0000016100000000, -0.0000004300000000, -0.0009741400000000 ] - [ 0.0000009300000000, -0.0000005400000000, -0.0002130200000000 ] - [ -0.0002727900000000, -0.0000004500000000, -0.0000562300000000 ] - [ 0.0109183300000000, 0.0002024900000000, -0.0007248200000000 ] - [ -0.0000000200000000, -0.0000001400000000, 0.0001299300000000 ] - [ 0.0000006000000000, -0.0000006400000000, 0.0002735400000000 ] - [ 0.0000005100000000, -0.0000001400000000, -0.0005358600000000 ] - [ 0.0000004500000000, 0.0000000000000000, 0.0005742800000000 ] - [ 0.0000000900000000, 0.0000000900000000, 0.0005339900000000 ] - [ 0.0000002200000000, 0.0000000300000000, -0.0010011200000000 ] - [ -0.0000025200000000, -0.0000000800000000, 0.0008544600000000 ] - [ -0.0000000800000000, 0.0000002300000000, 0.0009657100000000 ] - [ -0.0000001900000000, -0.0000002800000000, 0.0001076400000000 ] - [ -0.0000077100000000, 0.0000003200000000, 0.0001953200000000 ] - [ 0.0009038100000000, -0.0000512700000000, 0.0001719300000000 ] - [ 0.0000014700000000, -0.0000001000000000, -0.0002539100000000 ] - [ 0.0000010300000000, 0.0000000400000000, -0.0002167100000000 ] - [ 0.0000003200000000, 0.0000000400000000, -0.0004026600000000 ] - [ 0.0000009800000000, 0.0000000600000000, 0.0000309400000000 ] - [ 0.0011924300000000, -0.0000058400000000, -0.0009432200000000 ] - [ -0.0000377900000000, -0.0000013600000000, -0.0005581100000000 ] - [ 0.0000009900000000, -0.0000001100000000, -0.0009265000000000 ] - [ 0.0000010400000000, -0.0000001300000000, -0.0000048400000000 ] - [ 0.0000010000000000, 0.0000000800000000, -0.0001062300000000 ] - [ 0.0000002500000000, -0.0000002400000000, 0.0004261700000000 ] - [ 0.0000009900000000, -0.0000000800000000, -0.0002682400000000 ] - [ 0.0000010800000000, 0.0000000400000000, 0.0006879100000000 ] - [ 0.0000007800000000, 0.0000000600000000, 0.0000745300000000 ] - [ 0.0000008500000000, -0.0000001100000000, -0.0002984500000000 ] - [ -0.0126797400000000, -0.0001403200000000, -0.0005240900000000 ] - [ 0.0000008200000000, -0.0000001200000000, 0.0003864100000000 ] - [ -0.0000003600000000, -0.0000000700000000, 0.0005032500000000 ] - [ -0.0000382500000000, -0.0000005600000000, 0.0004361100000000 ] - [ 0.0000003700000000, 0.0000000700000000, 0.0003596000000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000006100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005882400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001424200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001602900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002350300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013630800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006002900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002230800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0295828800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002571800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001141600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009227400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001870600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007277300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008065800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010590600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011597600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003035000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003880100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102781300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000599900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000223900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002090800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002256200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008960400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003299800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007322400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001899000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000884800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006223700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000724500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008834500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002688100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001035300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0428880000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005823100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006991200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006633900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005556700000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007753900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002122100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006292700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006177000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010125300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005867600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001760700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001100700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0307778100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005159900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006602100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001498300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009631200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003426500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011956900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006523600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007741500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000859400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000049700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100699000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004489300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004121400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005973700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001647600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027554800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007859500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011217500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002004400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003018300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002319600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004624200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004918900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001170400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004933200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0416817000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001923900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003095500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002080200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001651500000000 ]- atom: 36 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000006200000000, 0.0000001800000000, 0.0003871500000000 ] - [ 0.0000009300000000, -0.0000002500000000, -0.0001869100000000 ] - [ 0.0000007700000000, -0.0000004000000000, 0.0002442900000000 ] - [ -0.0002720800000000, 0.0000003500000000, 0.0002270800000000 ] - [ -0.0000000600000000, 0.0000002400000000, 0.0006250500000000 ] - [ 0.0000006100000000, -0.0000002600000000, -0.0009735200000000 ] - [ 0.0000013900000000, -0.0000003500000000, -0.0002124100000000 ] - [ 0.0000014600000000, -0.0000004000000000, -0.0000586400000000 ] - [ -0.0000006500000000, -0.0000003600000000, -0.0004838700000000 ] - [ 0.0000059400000000, 0.0000004700000000, 0.0001306400000000 ] - [ 0.0000008200000000, -0.0000004600000000, 0.0002741600000000 ] - [ 0.0000002700000000, 0.0000000500000000, -0.0005352400000000 ] - [ 0.0109274100000000, 0.0002033700000000, 0.0008153200000000 ] - [ 0.0000015700000000, 0.0000002800000000, 0.0005335800000000 ] - [ 0.0000002300000000, 0.0000002100000000, -0.0010014400000000 ] - [ -0.0000006100000000, 0.0000001200000000, 0.0008541400000000 ] - [ -0.0000008100000000, 0.0000004100000000, 0.0009653100000000 ] - [ -0.0000372900000000, -0.0000013400000000, 0.0001073900000000 ] - [ -0.0000011300000000, 0.0000004700000000, 0.0001948800000000 ] - [ -0.0000004900000000, 0.0000002900000000, 0.0001951800000000 ] - [ -0.0000002000000000, 0.0000000900000000, -0.0002542500000000 ] - [ -0.0000003400000000, 0.0000002200000000, -0.0002170200000000 ] - [ 0.0009023400000000, -0.0000511200000000, -0.0003793500000000 ] - [ -0.0000001200000000, 0.0000002500000000, 0.0000306100000000 ] - [ -0.0000009100000000, 0.0000002200000000, -0.0009558900000000 ] - [ -0.0000003500000000, 0.0000000800000000, -0.0005583100000000 ] - [ -0.0000001400000000, 0.0000000700000000, -0.0009268200000000 ] - [ -0.0000031000000000, 0.0000000600000000, -0.0000050800000000 ] - [ -0.0000072600000000, 0.0000003100000000, -0.0001066000000000 ] - [ 0.0000012200000000, -0.0000000500000000, 0.0004257800000000 ] - [ 0.0000008800000000, 0.0000001100000000, -0.0002686300000000 ] - [ 0.0011829500000000, -0.0000055900000000, 0.0006753600000000 ] - [ -0.0000351200000000, -0.0000002100000000, 0.0000734300000000 ] - [ 0.0000008500000000, 0.0000000700000000, -0.0002987600000000 ] - [ 0.0000006300000000, 0.0000000900000000, -0.0007711200000000 ] - [ -0.0126693900000000, -0.0001476800000000, 0.0001373600000000 ] - [ -0.0000007400000000, 0.0000001200000000, 0.0005028500000000 ] - [ 0.0000004600000000, 0.0000000700000000, 0.0004351000000000 ] - [ -0.0000005600000000, 0.0000002600000000, 0.0003592100000000 ]- atom: 36 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000012600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005769900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001424800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000600800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002364300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013623400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005995700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004465700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008718900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002678100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001109700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009213700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0308785000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007276100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008079300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010491400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011579400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003359100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003877900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003902700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000625600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000250100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0098577400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002228900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007612400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003654700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007347200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001923000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000848500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006225200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000728500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024706800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003027100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001054400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005790700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0420438900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006979200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006277400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005538900000000 ]- atom: 36 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007759200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002033700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006315800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003947500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010133000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005854400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001775600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003306000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000941600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005288300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006591400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001488800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0294994200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003415000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011959900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006608900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007746100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001196300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000035700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000017800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004481700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004113200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0104810900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001640300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011490000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007523500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011210200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002047400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003002400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002308800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004631500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011459200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001539900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004930300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009651100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424522700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003097100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002406800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001657400000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000005200000000, 0.0000001000000000, 0.0003871600000000 ] - [ 0.0000003100000000, -0.0000003300000000, -0.0001869200000000 ] - [ 0.0000012200000000, -0.0000004900000000, 0.0002442900000000 ] - [ -0.0000290700000000, -0.0000000800000000, 0.0002301600000000 ] - [ -0.0000012300000000, 0.0000001700000000, 0.0006250600000000 ] - [ 0.0000014700000000, -0.0000003300000000, -0.0009735200000000 ] - [ -0.0002767300000000, -0.0000005500000000, -0.0002154400000000 ] - [ 0.0000005600000000, -0.0000004800000000, -0.0000586400000000 ] - [ 0.0000003400000000, -0.0000004300000000, -0.0004838900000000 ] - [ -0.0000017800000000, -0.0000000200000000, 0.0001305500000000 ] - [ 0.0109489500000000, -0.0002041200000000, 0.0005149500000000 ] - [ 0.0000002000000000, -0.0000000300000000, -0.0005352300000000 ] - [ -0.0000004300000000, 0.0000001300000000, 0.0005748900000000 ] - [ -0.0000002600000000, 0.0000002100000000, 0.0005336300000000 ] - [ -0.0000003800000000, 0.0000001400000000, -0.0010014700000000 ] - [ 0.0000002000000000, 0.0000000500000000, 0.0008541900000000 ] - [ 0.0000004300000000, 0.0000003500000000, 0.0009653600000000 ] - [ -0.0000004700000000, -0.0000001700000000, 0.0001072700000000 ] - [ 0.0000009500000000, 0.0000004000000000, 0.0001949300000000 ] - [ 0.0000004700000000, 0.0000002200000000, 0.0001952100000000 ] - [ 0.0012123200000000, 0.0000059600000000, -0.0002668300000000 ] - [ 0.0000003200000000, 0.0000001500000000, -0.0002170700000000 ] - [ -0.0000009400000000, 0.0000001500000000, -0.0004030200000000 ] - [ -0.0000006500000000, 0.0000001700000000, 0.0000305900000000 ] - [ 0.0000008500000000, 0.0000001500000000, -0.0009558600000000 ] - [ 0.0000001900000000, 0.0000000000000000, -0.0005583500000000 ] - [ -0.0000002900000000, 0.0000000000000000, -0.0009268500000000 ] - [ 0.0008149900000000, 0.0000520800000000, 0.0000184700000000 ] - [ 0.0000001200000000, 0.0000001900000000, -0.0001065900000000 ] - [ -0.0000004900000000, -0.0000001300000000, 0.0004257800000000 ] - [ -0.0000007700000000, 0.0000000400000000, -0.0002686300000000 ] - [ 0.0000011700000000, 0.0000000700000000, 0.0006875500000000 ] - [ 0.0000872400000000, 0.0000007800000000, 0.0000744800000000 ] - [ -0.0000025000000000, 0.0000000100000000, -0.0002987200000000 ] - [ -0.0000003400000000, 0.0000000200000000, -0.0007711500000000 ] - [ -0.0000006200000000, -0.0000000100000000, 0.0003860400000000 ] - [ -0.0127162500000000, 0.0001449700000000, 0.0002540400000000 ] - [ 0.0000003200000000, 0.0000000000000000, 0.0004350600000000 ] - [ -0.0000389100000000, 0.0000006500000000, 0.0003585400000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000015300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005749000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001406300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001750200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002356600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013611100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003786600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004453900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008711300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002565300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0305686100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009214100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001875600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007263100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008074500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010494000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011593700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003020700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003893200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003915000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015631500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000244000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002106800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002228700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007604300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003643800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007339100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0102557400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000860600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006202500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000745600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008756200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003044100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000965500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005783300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005809600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0419607400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006283900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005874000000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007757300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002010200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006293600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006340100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010133600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005871400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000477800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003295100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000948500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005167200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0297946800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001496000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009650200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003435200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011973900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006608800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007739600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000849500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000029800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000011700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021246500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004129800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005988100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001646500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011493700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007547500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011223300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0100837500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003021600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002335200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004610000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004969800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001535900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005029400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009669600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001931100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0426130300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002391800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001312700000000 ]- atom: 38 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000002100000000, -0.0000000300000000, 0.0003864400000000 ] - [ 0.0000012800000000, -0.0000004600000000, -0.0001876400000000 ] - [ -0.0002771700000000, -0.0000004800000000, 0.0002466500000000 ] - [ -0.0000001400000000, 0.0000000200000000, 0.0002293400000000 ] - [ -0.0000002200000000, 0.0000000500000000, 0.0006243600000000 ] - [ 0.0000013300000000, -0.0000004500000000, -0.0009742200000000 ] - [ 0.0000016900000000, -0.0000005400000000, -0.0002131100000000 ] - [ 0.0109425300000000, 0.0002026900000000, -0.0002998600000000 ] - [ 0.0000071500000000, -0.0000001400000000, -0.0004846900000000 ] - [ 0.0000005000000000, -0.0000001600000000, 0.0001298400000000 ] - [ 0.0000009200000000, -0.0000006500000000, 0.0002734600000000 ] - [ 0.0000000500000000, -0.0000001500000000, -0.0005359400000000 ] - [ -0.0000002000000000, -0.0000000100000000, 0.0005742000000000 ] - [ 0.0000021500000000, 0.0000000400000000, 0.0005337500000000 ] - [ 0.0000007600000000, 0.0000000100000000, -0.0010010900000000 ] - [ 0.0012193800000000, -0.0000060500000000, 0.0008669600000000 ] - [ 0.0000001600000000, 0.0000002200000000, 0.0009655400000000 ] - [ 0.0000008000000000, -0.0000002900000000, 0.0001075000000000 ] - [ -0.0000000300000000, 0.0000002700000000, 0.0001951200000000 ] - [ -0.0000075200000000, 0.0000001300000000, 0.0001954400000000 ] - [ 0.0000009100000000, -0.0000001200000000, -0.0002539300000000 ] - [ 0.0000002800000000, 0.0000000200000000, -0.0002166900000000 ] - [ 0.0000011600000000, 0.0000000200000000, -0.0004026500000000 ] - [ 0.0000010900000000, 0.0000000400000000, 0.0000309000000000 ] - [ 0.0009077200000000, -0.0000513600000000, -0.0009793500000000 ] - [ 0.0000006800000000, -0.0000001200000000, -0.0005579600000000 ] - [ -0.0000444200000000, -0.0000005700000000, -0.0009258500000000 ] - [ 0.0000015300000000, -0.0000001400000000, -0.0000048600000000 ] - [ 0.0000003900000000, 0.0000000600000000, -0.0001062400000000 ] - [ 0.0000009600000000, -0.0000002500000000, 0.0004260400000000 ] - [ 0.0000000700000000, -0.0000001000000000, -0.0002684100000000 ] - [ 0.0000007500000000, 0.0000000300000000, 0.0006879300000000 ] - [ 0.0000003600000000, 0.0000000400000000, 0.0000743500000000 ] - [ 0.0000013300000000, -0.0000001300000000, -0.0002984300000000 ] - [ -0.0000381500000000, -0.0000013800000000, -0.0007709100000000 ] - [ 0.0000007000000000, -0.0000001400000000, 0.0003862600000000 ] - [ 0.0000003400000000, -0.0000000800000000, 0.0005031200000000 ] - [ -0.0127287100000000, -0.0001398900000000, 0.0006851900000000 ] - [ -0.0000001600000000, 0.0000000600000000, 0.0003594600000000 ]- atom: 38 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0000005600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005761800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000844400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001605800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002349400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013633600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005994900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300109000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008842400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002569700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001134500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009225800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001865800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007296400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008063200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0027377000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011594600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003034700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003887200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003900300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000604300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000236600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002082700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002250200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0091405500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003627500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006921900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001890200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000871200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006217400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000729900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008831000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002681100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001029100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005438000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005822500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006991700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0417262300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005550000000000 ]- atom: 38 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007747200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001995300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004066900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006171400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010115900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005873400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001745100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303562900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000849900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005149200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006586500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001508700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009627500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003401100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011971100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009765900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007738100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000859200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000037200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000030900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004499000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004122400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005996500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001657700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0112354400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007548000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011615600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002010700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003022000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002325300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004621300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004910400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001169800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004951400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009995800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001923800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003093800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0429634100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001656000000000 ]- atom: 39 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000002000000000, 0.0000000900000000, 0.0003871600000000 ] - [ 0.0000003600000000, -0.0000003300000000, -0.0001869100000000 ] - [ 0.0000008800000000, -0.0000004800000000, 0.0002443000000000 ] - [ -0.0000002100000000, 0.0000001500000000, 0.0002300700000000 ] - [ -0.0000004900000000, 0.0000001700000000, 0.0006250800000000 ] - [ -0.0002744900000000, -0.0000004700000000, -0.0009765400000000 ] - [ 0.0109387700000000, -0.0002037200000000, 0.0000281300000000 ] - [ 0.0000012700000000, -0.0000004800000000, -0.0000586200000000 ] - [ 0.0000006000000000, -0.0000004400000000, -0.0004838800000000 ] - [ 0.0000003600000000, -0.0000000300000000, 0.0001305600000000 ] - [ 0.0000067200000000, -0.0000009600000000, 0.0002742600000000 ] - [ -0.0000003300000000, -0.0000000300000000, -0.0005352200000000 ] - [ -0.0000018200000000, 0.0000001200000000, 0.0005749200000000 ] - [ -0.0000006600000000, 0.0000002100000000, 0.0005336100000000 ] - [ 0.0000003100000000, 0.0000001500000000, -0.0010014600000000 ] - [ 0.0000006300000000, 0.0000000500000000, 0.0008541800000000 ] - [ -0.0000362200000000, 0.0000008100000000, 0.0009646600000000 ] - [ -0.0000008500000000, -0.0000001600000000, 0.0001072800000000 ] - [ 0.0000005500000000, 0.0000003900000000, 0.0001949400000000 ] - [ 0.0000009000000000, 0.0000002100000000, 0.0001952100000000 ] - [ 0.0009060200000000, 0.0000513500000000, -0.0002306000000000 ] - [ -0.0000007400000000, 0.0000001400000000, -0.0002170500000000 ] - [ 0.0000001200000000, 0.0000001600000000, -0.0004029900000000 ] - [ -0.0000036900000000, 0.0000001700000000, 0.0000306700000000 ] - [ 0.0000002400000000, 0.0000001500000000, -0.0009558400000000 ] - [ -0.0000003600000000, 0.0000000000000000, -0.0005583300000000 ] - [ -0.0000000900000000, 0.0000000000000000, -0.0009268200000000 ] - [ -0.0000073500000000, -0.0000000700000000, -0.0000052000000000 ] - [ -0.0000000800000000, 0.0000001800000000, -0.0001065900000000 ] - [ -0.0000006000000000, -0.0000001200000000, 0.0004258100000000 ] - [ -0.0000004100000000, 0.0000000400000000, -0.0002686100000000 ] - [ -0.0000008900000000, 0.0000001600000000, 0.0006875800000000 ] - [ -0.0000010300000000, 0.0000001700000000, 0.0000741500000000 ] - [ 0.0011987500000000, 0.0000058900000000, -0.0003111100000000 ] - [ 0.0000003100000000, 0.0000000200000000, -0.0007711300000000 ] - [ -0.0000003900000000, -0.0000000100000000, 0.0003860300000000 ] - [ -0.0000389100000000, 0.0000013500000000, 0.0005030200000000 ] - [ -0.0000002700000000, 0.0000000000000000, 0.0004350900000000 ] - [ -0.0126871100000000, 0.0001452000000000, 0.0001101800000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0000007700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005754600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001412500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001595300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002369700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011404400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0300900700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004449900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008709400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002566500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001238300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009195600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001876100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007263500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008081300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010508100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011943200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003023500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003896200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003915800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0100152600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000253600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002109900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002279300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007600000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003653000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007344100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001862100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000860000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006208700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000738200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008803900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002671800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015132200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005786000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005810700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007320600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006274100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0421187900000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0007763600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002021100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006305300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006194300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010127500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008121000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302851400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003293100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000949400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005177100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006722400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001508500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009648100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003435000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011962700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006599000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007374100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000850600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000026000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000013200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0103415000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004115100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005977300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001695900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011495000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007531300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011217100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001990900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003018800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002332700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004614400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004930500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001163200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021614700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009662000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001932500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002759000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002405300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0424694500000000 ]